USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 787 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 25 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -121:sc= -0.0926 (180deg=-0.412) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.476 K(o=0.48,f=-0.48) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 46:sc= 1.23 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 60:sc= -1.37 USER MOD Single : A 29 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 30 THR OG1 : rot 105:sc= -2.55! USER MOD Single : A 31 SER OG : rot -31:sc= 0.587 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -1.31 (180deg=-2.37!) USER MOD Single : A 39 GLN : amide:sc= -3.67 K(o=-3.7,f=-14!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.072 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0848) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.186 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 24:sc= -0.06 USER MOD Single : A 106 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.83 F(o=-1.5,f=-0.83) USER MOD Single : A 111 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 114 MET CE :methyl 178:sc= -1.94 (180deg=-1.97) USER MOD Single : A 116 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.4!) USER MOD Single : A 126 LYS NZ :NH3+ -167:sc= -0.103 (180deg=-0.375) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -11.041 14.492 5.444 1.00 0.00 N ATOM 21 CA PHE A 2 -11.810 13.361 4.936 1.00 0.00 C ATOM 22 C PHE A 2 -11.417 12.073 5.651 1.00 0.00 C ATOM 23 O PHE A 2 -10.558 12.078 6.533 1.00 0.00 O ATOM 24 CB PHE A 2 -11.607 13.206 3.426 1.00 0.00 C ATOM 25 CG PHE A 2 -10.200 12.843 3.034 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.219 13.817 2.945 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.861 11.527 2.751 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.926 13.489 2.583 1.00 0.00 C ATOM 29 CE2 PHE A 2 -8.569 11.195 2.388 1.00 0.00 C ATOM 30 CZ PHE A 2 -7.601 12.176 2.305 1.00 0.00 C ATOM 0 HA PHE A 2 -12.864 13.557 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.287 12.439 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.881 14.140 2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.468 14.846 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.614 10.755 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.171 14.258 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.317 10.168 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.591 11.917 2.023 1.00 0.00 H new ATOM 40 N ASP A 3 -12.054 10.969 5.271 1.00 0.00 N ATOM 41 CA ASP A 3 -11.768 9.677 5.883 1.00 0.00 C ATOM 42 C ASP A 3 -11.501 8.610 4.827 1.00 0.00 C ATOM 43 O ASP A 3 -12.039 8.664 3.721 1.00 0.00 O ATOM 44 CB ASP A 3 -12.931 9.245 6.778 1.00 0.00 C ATOM 45 CG ASP A 3 -12.485 8.326 7.899 1.00 0.00 C ATOM 46 OD1 ASP A 3 -12.021 8.838 8.938 1.00 0.00 O ATOM 47 OD2 ASP A 3 -12.601 7.093 7.736 1.00 0.00 O ATOM 0 H ASP A 3 -12.769 10.944 4.544 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.869 9.787 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.407 10.129 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.683 8.738 6.173 1.00 0.00 H new ATOM 52 N LEU A 4 -10.666 7.638 5.182 1.00 0.00 N ATOM 53 CA LEU A 4 -10.320 6.548 4.275 1.00 0.00 C ATOM 54 C LEU A 4 -9.678 5.399 5.042 1.00 0.00 C ATOM 55 O LEU A 4 -8.487 5.437 5.355 1.00 0.00 O ATOM 56 CB LEU A 4 -9.372 7.040 3.182 1.00 0.00 C ATOM 57 CG LEU A 4 -9.366 6.196 1.905 1.00 0.00 C ATOM 58 CD1 LEU A 4 -9.201 7.082 0.677 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.269 5.137 1.962 1.00 0.00 C ATOM 0 H LEU A 4 -10.215 7.583 6.095 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.237 6.190 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.641 8.064 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.360 7.069 3.585 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.325 5.684 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.199 6.463 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.027 7.792 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.259 7.626 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.283 4.549 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.299 5.623 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.440 4.481 2.816 1.00 0.00 H new ATOM 71 N THR A 5 -10.474 4.381 5.349 1.00 0.00 N ATOM 72 CA THR A 5 -9.985 3.224 6.088 1.00 0.00 C ATOM 73 C THR A 5 -10.069 1.956 5.245 1.00 0.00 C ATOM 74 O THR A 5 -11.146 1.387 5.069 1.00 0.00 O ATOM 75 CB THR A 5 -10.792 3.043 7.375 1.00 0.00 C ATOM 76 OG1 THR A 5 -10.756 4.222 8.159 1.00 0.00 O ATOM 77 CG2 THR A 5 -10.296 1.903 8.238 1.00 0.00 C ATOM 0 H THR A 5 -11.461 4.334 5.097 1.00 0.00 H new ATOM 0 HA THR A 5 -8.939 3.402 6.337 1.00 0.00 H new ATOM 0 HB THR A 5 -11.807 2.815 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.279 4.087 8.977 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.912 1.830 9.134 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.358 0.970 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.260 2.087 8.524 1.00 0.00 H new ATOM 85 N VAL A 6 -8.926 1.509 4.735 1.00 0.00 N ATOM 86 CA VAL A 6 -8.878 0.298 3.922 1.00 0.00 C ATOM 87 C VAL A 6 -8.364 -0.872 4.747 1.00 0.00 C ATOM 88 O VAL A 6 -7.392 -0.737 5.491 1.00 0.00 O ATOM 89 CB VAL A 6 -7.998 0.465 2.647 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.394 1.862 2.564 1.00 0.00 C ATOM 91 CG2 VAL A 6 -6.900 -0.601 2.578 1.00 0.00 C ATOM 0 H VAL A 6 -8.023 1.965 4.869 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.898 0.101 3.592 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.654 0.329 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.787 1.943 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.193 2.603 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.770 2.041 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.306 -0.454 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.257 -0.518 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.355 -1.591 2.555 1.00 0.00 H new ATOM 101 N GLY A 7 -9.010 -2.020 4.605 1.00 0.00 N ATOM 102 CA GLY A 7 -8.586 -3.190 5.339 1.00 0.00 C ATOM 103 C GLY A 7 -7.875 -4.191 4.455 1.00 0.00 C ATOM 104 O GLY A 7 -8.485 -4.796 3.574 1.00 0.00 O ATOM 0 H GLY A 7 -9.817 -2.160 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.923 -2.888 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.454 -3.664 5.797 1.00 0.00 H new ATOM 108 N ILE A 8 -6.585 -4.375 4.701 1.00 0.00 N ATOM 109 CA ILE A 8 -5.794 -5.323 3.931 1.00 0.00 C ATOM 110 C ILE A 8 -5.654 -6.625 4.717 1.00 0.00 C ATOM 111 O ILE A 8 -5.096 -6.627 5.814 1.00 0.00 O ATOM 112 CB ILE A 8 -4.387 -4.760 3.617 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.496 -3.485 2.772 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.535 -5.807 2.907 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.154 -2.895 2.382 1.00 0.00 C ATOM 0 H ILE A 8 -6.065 -3.881 5.427 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.307 -5.506 2.987 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.899 -4.507 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.062 -3.707 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.063 -2.739 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.550 -5.392 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.429 -6.684 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.016 -6.095 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.311 -1.996 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.593 -2.641 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.592 -3.624 1.798 1.00 0.00 H new ATOM 127 N THR A 9 -6.170 -7.731 4.179 1.00 0.00 N ATOM 128 CA THR A 9 -6.088 -9.002 4.894 1.00 0.00 C ATOM 129 C THR A 9 -5.920 -10.206 3.968 1.00 0.00 C ATOM 130 O THR A 9 -6.742 -10.454 3.085 1.00 0.00 O ATOM 131 CB THR A 9 -7.337 -9.197 5.754 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.794 -7.956 6.263 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.117 -10.122 6.931 1.00 0.00 C ATOM 0 H THR A 9 -6.638 -7.773 3.273 1.00 0.00 H new ATOM 0 HA THR A 9 -5.195 -8.949 5.517 1.00 0.00 H new ATOM 0 HB THR A 9 -8.075 -9.649 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.595 -8.101 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.043 -10.216 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.812 -11.104 6.570 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.337 -9.713 7.574 1.00 0.00 H new ATOM 141 N ASP A 10 -4.854 -10.967 4.218 1.00 0.00 N ATOM 142 CA ASP A 10 -4.539 -12.173 3.472 1.00 0.00 C ATOM 143 C ASP A 10 -4.467 -11.952 1.970 1.00 0.00 C ATOM 144 O ASP A 10 -5.150 -11.098 1.405 1.00 0.00 O ATOM 145 CB ASP A 10 -5.525 -13.295 3.770 1.00 0.00 C ATOM 146 CG ASP A 10 -5.952 -13.335 5.225 1.00 0.00 C ATOM 147 OD1 ASP A 10 -5.241 -12.747 6.068 1.00 0.00 O ATOM 148 OD2 ASP A 10 -6.996 -13.954 5.521 1.00 0.00 O ATOM 0 H ASP A 10 -4.181 -10.756 4.954 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.545 -12.464 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.407 -13.173 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.072 -14.250 3.503 1.00 0.00 H new ATOM 153 N PRO A 11 -3.587 -12.722 1.320 1.00 0.00 N ATOM 154 CA PRO A 11 -3.310 -12.675 -0.098 1.00 0.00 C ATOM 155 C PRO A 11 -3.917 -13.875 -0.825 1.00 0.00 C ATOM 156 O PRO A 11 -3.454 -15.003 -0.661 1.00 0.00 O ATOM 157 CB PRO A 11 -1.771 -12.772 -0.082 1.00 0.00 C ATOM 158 CG PRO A 11 -1.422 -13.235 1.318 1.00 0.00 C ATOM 159 CD PRO A 11 -2.703 -13.703 1.914 1.00 0.00 C ATOM 0 HA PRO A 11 -3.716 -11.802 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.412 -13.477 -0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.312 -11.809 -0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.685 -14.037 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.990 -12.423 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.953 -14.725 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.701 -13.666 3.003 1.00 0.00 H new ATOM 167 N GLU A 12 -4.960 -13.636 -1.612 1.00 0.00 N ATOM 168 CA GLU A 12 -5.623 -14.716 -2.337 1.00 0.00 C ATOM 169 C GLU A 12 -4.920 -15.016 -3.658 1.00 0.00 C ATOM 170 O GLU A 12 -4.615 -14.109 -4.433 1.00 0.00 O ATOM 171 CB GLU A 12 -7.088 -14.360 -2.593 1.00 0.00 C ATOM 172 CG GLU A 12 -7.276 -13.109 -3.433 1.00 0.00 C ATOM 173 CD GLU A 12 -8.691 -12.969 -3.959 1.00 0.00 C ATOM 174 OE1 GLU A 12 -8.990 -13.556 -5.021 1.00 0.00 O ATOM 175 OE2 GLU A 12 -9.500 -12.274 -3.310 1.00 0.00 O ATOM 0 H GLU A 12 -5.363 -12.712 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.573 -15.612 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.574 -15.198 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.592 -14.223 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.026 -12.233 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.581 -13.131 -4.272 1.00 0.00 H new ATOM 182 N LYS A 13 -4.671 -16.298 -3.909 1.00 0.00 N ATOM 183 CA LYS A 13 -4.009 -16.725 -5.137 1.00 0.00 C ATOM 184 C LYS A 13 -4.917 -16.508 -6.341 1.00 0.00 C ATOM 185 O LYS A 13 -6.138 -16.627 -6.241 1.00 0.00 O ATOM 186 CB LYS A 13 -3.607 -18.199 -5.041 1.00 0.00 C ATOM 187 CG LYS A 13 -2.713 -18.660 -6.182 1.00 0.00 C ATOM 188 CD LYS A 13 -1.242 -18.449 -5.859 1.00 0.00 C ATOM 189 CE LYS A 13 -0.389 -19.595 -6.381 1.00 0.00 C ATOM 190 NZ LYS A 13 1.037 -19.197 -6.545 1.00 0.00 N ATOM 0 H LYS A 13 -4.918 -17.060 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.110 -16.122 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.091 -18.366 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.508 -18.813 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.894 -19.716 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.969 -18.114 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.902 -17.511 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.114 -18.360 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.454 -20.438 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.784 -19.934 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.584 -20.006 -6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.102 -18.409 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.422 -18.898 -5.626 1.00 0.00 H new ATOM 204 N ILE A 14 -4.314 -16.180 -7.477 1.00 0.00 N ATOM 205 CA ILE A 14 -5.070 -15.934 -8.700 1.00 0.00 C ATOM 206 C ILE A 14 -4.598 -16.839 -9.830 1.00 0.00 C ATOM 207 O ILE A 14 -3.448 -17.273 -9.853 1.00 0.00 O ATOM 208 CB ILE A 14 -4.940 -14.471 -9.162 1.00 0.00 C ATOM 209 CG1 ILE A 14 -4.930 -13.518 -7.961 1.00 0.00 C ATOM 210 CG2 ILE A 14 -6.060 -14.115 -10.128 1.00 0.00 C ATOM 211 CD1 ILE A 14 -6.304 -13.220 -7.404 1.00 0.00 C ATOM 0 H ILE A 14 -3.304 -16.078 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.113 -16.148 -8.467 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.990 -14.361 -9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.315 -13.950 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.458 -12.581 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.952 -13.077 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.009 -14.767 -11.000 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.022 -14.245 -9.633 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.214 -12.539 -6.557 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.918 -12.758 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.772 -14.148 -7.075 1.00 0.00 H new ATOM 223 N GLY A 15 -5.494 -17.108 -10.771 1.00 0.00 N ATOM 224 CA GLY A 15 -5.155 -17.953 -11.904 1.00 0.00 C ATOM 225 C GLY A 15 -4.931 -19.402 -11.513 1.00 0.00 C ATOM 226 O GLY A 15 -5.655 -20.291 -11.958 1.00 0.00 O ATOM 0 H GLY A 15 -6.451 -16.756 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.955 -17.901 -12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.254 -17.567 -12.382 1.00 0.00 H new ATOM 230 N ASP A 16 -3.919 -19.638 -10.680 1.00 0.00 N ATOM 231 CA ASP A 16 -3.589 -20.986 -10.225 1.00 0.00 C ATOM 232 C ASP A 16 -2.885 -21.777 -11.324 1.00 0.00 C ATOM 233 O ASP A 16 -3.256 -21.698 -12.495 1.00 0.00 O ATOM 234 CB ASP A 16 -4.849 -21.728 -9.773 1.00 0.00 C ATOM 235 CG ASP A 16 -4.533 -22.926 -8.899 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.502 -23.586 -9.147 1.00 0.00 O ATOM 237 OD2 ASP A 16 -5.318 -23.205 -7.968 1.00 0.00 O ATOM 0 H ASP A 16 -3.311 -18.909 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.911 -20.894 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.494 -21.042 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.407 -22.058 -10.649 1.00 0.00 H new ATOM 242 N GLY A 17 -1.865 -22.539 -10.937 1.00 0.00 N ATOM 243 CA GLY A 17 -1.121 -23.333 -11.898 1.00 0.00 C ATOM 244 C GLY A 17 0.369 -23.061 -11.846 1.00 0.00 C ATOM 245 O GLY A 17 0.942 -22.912 -10.767 1.00 0.00 O ATOM 0 H GLY A 17 -1.541 -22.620 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.301 -24.391 -11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.491 -23.123 -12.902 1.00 0.00 H new ATOM 249 N MET A 18 0.999 -22.991 -13.015 1.00 0.00 N ATOM 250 CA MET A 18 2.435 -22.727 -13.096 1.00 0.00 C ATOM 251 C MET A 18 2.710 -21.235 -13.271 1.00 0.00 C ATOM 252 O MET A 18 3.833 -20.774 -13.068 1.00 0.00 O ATOM 253 CB MET A 18 3.073 -23.519 -14.246 1.00 0.00 C ATOM 254 CG MET A 18 2.178 -23.687 -15.466 1.00 0.00 C ATOM 255 SD MET A 18 1.645 -22.112 -16.163 1.00 0.00 S ATOM 256 CE MET A 18 1.351 -22.577 -17.868 1.00 0.00 C ATOM 0 H MET A 18 0.541 -23.113 -13.918 1.00 0.00 H new ATOM 0 HA MET A 18 2.884 -23.053 -12.158 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.992 -23.018 -14.551 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.355 -24.506 -13.879 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.713 -24.254 -16.228 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.301 -24.272 -15.190 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.014 -21.706 -18.430 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.274 -22.957 -18.306 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.585 -23.352 -17.907 1.00 0.00 H new ATOM 266 N ASN A 19 1.677 -20.483 -13.641 1.00 0.00 N ATOM 267 CA ASN A 19 1.803 -19.044 -13.834 1.00 0.00 C ATOM 268 C ASN A 19 0.677 -18.314 -13.110 1.00 0.00 C ATOM 269 O ASN A 19 -0.203 -17.727 -13.738 1.00 0.00 O ATOM 270 CB ASN A 19 1.778 -18.702 -15.325 1.00 0.00 C ATOM 271 CG ASN A 19 2.160 -17.259 -15.594 1.00 0.00 C ATOM 272 OD1 ASN A 19 3.295 -16.963 -15.965 1.00 0.00 O ATOM 273 ND2 ASN A 19 1.209 -16.350 -15.406 1.00 0.00 N ATOM 0 H ASN A 19 0.741 -20.849 -13.813 1.00 0.00 H new ATOM 0 HA ASN A 19 2.757 -18.721 -13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.463 -19.362 -15.858 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.780 -18.891 -15.722 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.407 -15.363 -15.570 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.281 -16.639 -15.098 1.00 0.00 H new ATOM 280 N ALA A 20 0.707 -18.369 -11.783 1.00 0.00 N ATOM 281 CA ALA A 20 -0.317 -17.726 -10.971 1.00 0.00 C ATOM 282 C ALA A 20 0.243 -16.533 -10.204 1.00 0.00 C ATOM 283 O ALA A 20 1.448 -16.437 -9.971 1.00 0.00 O ATOM 284 CB ALA A 20 -0.923 -18.734 -10.006 1.00 0.00 C ATOM 0 H ALA A 20 1.429 -18.852 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.093 -17.355 -11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.688 -18.245 -9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.373 -19.552 -10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.143 -19.128 -9.354 1.00 0.00 H new ATOM 290 N TYR A 21 -0.649 -15.632 -9.804 1.00 0.00 N ATOM 291 CA TYR A 21 -0.264 -14.446 -9.049 1.00 0.00 C ATOM 292 C TYR A 21 -1.262 -14.192 -7.934 1.00 0.00 C ATOM 293 O TYR A 21 -2.435 -14.533 -8.062 1.00 0.00 O ATOM 294 CB TYR A 21 -0.196 -13.219 -9.960 1.00 0.00 C ATOM 295 CG TYR A 21 -1.500 -12.893 -10.661 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.611 -12.420 -9.958 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.618 -13.050 -12.037 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.791 -12.119 -10.613 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.796 -12.751 -12.694 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.878 -12.286 -11.978 1.00 0.00 C ATOM 301 OH TYR A 21 -5.052 -11.986 -12.631 1.00 0.00 O ATOM 0 H TYR A 21 -1.649 -15.702 -9.992 1.00 0.00 H new ATOM 0 HA TYR A 21 0.724 -14.621 -8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.110 -12.357 -9.368 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.577 -13.380 -10.711 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.547 -12.288 -8.888 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.773 -13.413 -12.603 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.642 -11.754 -10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.869 -12.881 -13.764 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.946 -12.158 -13.590 1.00 0.00 H new ATOM 311 N VAL A 22 -0.805 -13.586 -6.845 1.00 0.00 N ATOM 312 CA VAL A 22 -1.699 -13.294 -5.736 1.00 0.00 C ATOM 313 C VAL A 22 -2.231 -11.877 -5.815 1.00 0.00 C ATOM 314 O VAL A 22 -1.537 -10.948 -6.227 1.00 0.00 O ATOM 315 CB VAL A 22 -1.035 -13.480 -4.359 1.00 0.00 C ATOM 316 CG1 VAL A 22 -2.017 -13.108 -3.244 1.00 0.00 C ATOM 317 CG2 VAL A 22 -0.538 -14.908 -4.191 1.00 0.00 C ATOM 0 H VAL A 22 0.162 -13.292 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.513 -14.013 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.173 -12.816 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.536 -13.244 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.318 -12.067 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.897 -13.749 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.072 -15.018 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.378 -15.598 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.193 -15.133 -4.968 1.00 0.00 H new ATOM 327 N ALA A 23 -3.470 -11.737 -5.395 1.00 0.00 N ATOM 328 CA ALA A 23 -4.149 -10.464 -5.376 1.00 0.00 C ATOM 329 C ALA A 23 -4.064 -9.842 -3.984 1.00 0.00 C ATOM 330 O ALA A 23 -3.419 -10.393 -3.092 1.00 0.00 O ATOM 331 CB ALA A 23 -5.586 -10.696 -5.767 1.00 0.00 C ATOM 0 H ALA A 23 -4.038 -12.513 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.680 -9.774 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.123 -9.747 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.626 -11.128 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.050 -11.380 -5.057 1.00 0.00 H new ATOM 337 N TYR A 24 -4.720 -8.705 -3.797 1.00 0.00 N ATOM 338 CA TYR A 24 -4.713 -8.033 -2.503 1.00 0.00 C ATOM 339 C TYR A 24 -6.049 -7.354 -2.237 1.00 0.00 C ATOM 340 O TYR A 24 -6.432 -6.415 -2.934 1.00 0.00 O ATOM 341 CB TYR A 24 -3.571 -7.022 -2.436 1.00 0.00 C ATOM 342 CG TYR A 24 -2.354 -7.564 -1.728 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.499 -8.460 -2.359 1.00 0.00 C ATOM 344 CD2 TYR A 24 -2.065 -7.188 -0.424 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.390 -8.965 -1.708 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.958 -7.687 0.231 1.00 0.00 C ATOM 347 CZ TYR A 24 -0.124 -8.575 -0.414 1.00 0.00 C ATOM 348 OH TYR A 24 0.979 -9.075 0.240 1.00 0.00 O ATOM 0 H TYR A 24 -5.261 -8.230 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.557 -8.783 -1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.295 -6.724 -3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.915 -6.125 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.705 -8.766 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.717 -6.494 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.265 -9.662 -2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.746 -7.383 1.245 1.00 0.00 H new ATOM 0 HH TYR A 24 1.759 -9.027 -0.351 1.00 0.00 H new ATOM 358 N LYS A 25 -6.761 -7.846 -1.229 1.00 0.00 N ATOM 359 CA LYS A 25 -8.068 -7.306 -0.880 1.00 0.00 C ATOM 360 C LYS A 25 -7.952 -6.006 -0.093 1.00 0.00 C ATOM 361 O LYS A 25 -7.882 -6.014 1.136 1.00 0.00 O ATOM 362 CB LYS A 25 -8.866 -8.333 -0.072 1.00 0.00 C ATOM 363 CG LYS A 25 -10.211 -7.819 0.425 1.00 0.00 C ATOM 364 CD LYS A 25 -11.073 -7.302 -0.716 1.00 0.00 C ATOM 365 CE LYS A 25 -11.775 -8.437 -1.444 1.00 0.00 C ATOM 366 NZ LYS A 25 -12.952 -7.956 -2.218 1.00 0.00 N ATOM 0 H LYS A 25 -6.454 -8.619 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.591 -7.088 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.031 -9.216 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.270 -8.649 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.737 -8.620 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.050 -7.021 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.815 -6.605 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.452 -6.746 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.072 -8.925 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.097 -9.187 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.413 -8.762 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.627 -7.497 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.639 -7.272 -2.936 1.00 0.00 H new ATOM 380 N VAL A 26 -7.961 -4.890 -0.811 1.00 0.00 N ATOM 381 CA VAL A 26 -7.888 -3.579 -0.186 1.00 0.00 C ATOM 382 C VAL A 26 -9.261 -2.926 -0.200 1.00 0.00 C ATOM 383 O VAL A 26 -9.644 -2.280 -1.175 1.00 0.00 O ATOM 384 CB VAL A 26 -6.878 -2.656 -0.896 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.448 -3.115 -0.637 1.00 0.00 C ATOM 386 CG2 VAL A 26 -7.169 -2.596 -2.389 1.00 0.00 C ATOM 0 H VAL A 26 -8.018 -4.869 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.548 -3.723 0.840 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.985 -1.651 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.754 -2.448 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.248 -3.095 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.318 -4.130 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.446 -1.940 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.094 -3.597 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.175 -2.208 -2.548 1.00 0.00 H new ATOM 396 N THR A 27 -10.009 -3.115 0.880 1.00 0.00 N ATOM 397 CA THR A 27 -11.351 -2.560 0.982 1.00 0.00 C ATOM 398 C THR A 27 -11.314 -1.126 1.487 1.00 0.00 C ATOM 399 O THR A 27 -11.634 -0.854 2.644 1.00 0.00 O ATOM 400 CB THR A 27 -12.210 -3.420 1.910 1.00 0.00 C ATOM 401 OG1 THR A 27 -12.233 -4.765 1.469 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.643 -2.944 2.010 1.00 0.00 C ATOM 0 H THR A 27 -9.709 -3.648 1.696 1.00 0.00 H new ATOM 0 HA THR A 27 -11.792 -2.559 -0.015 1.00 0.00 H new ATOM 0 HB THR A 27 -11.747 -3.336 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.786 -5.299 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.197 -3.598 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.662 -1.925 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.104 -2.966 1.022 1.00 0.00 H new ATOM 410 N THR A 28 -10.934 -0.210 0.604 1.00 0.00 N ATOM 411 CA THR A 28 -10.867 1.201 0.955 1.00 0.00 C ATOM 412 C THR A 28 -12.272 1.778 1.058 1.00 0.00 C ATOM 413 O THR A 28 -12.997 1.854 0.066 1.00 0.00 O ATOM 414 CB THR A 28 -10.057 1.972 -0.094 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.689 1.611 -0.036 1.00 0.00 O ATOM 416 CG2 THR A 28 -10.140 3.477 0.061 1.00 0.00 C ATOM 0 H THR A 28 -10.668 -0.420 -0.358 1.00 0.00 H new ATOM 0 HA THR A 28 -10.371 1.300 1.921 1.00 0.00 H new ATOM 0 HB THR A 28 -10.500 1.699 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.597 0.650 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.543 3.956 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.178 3.796 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.759 3.763 1.041 1.00 0.00 H new ATOM 424 N GLN A 29 -12.654 2.183 2.264 1.00 0.00 N ATOM 425 CA GLN A 29 -13.975 2.750 2.484 1.00 0.00 C ATOM 426 C GLN A 29 -13.887 4.216 2.846 1.00 0.00 C ATOM 427 O GLN A 29 -13.204 4.605 3.794 1.00 0.00 O ATOM 428 CB GLN A 29 -14.733 2.011 3.586 1.00 0.00 C ATOM 429 CG GLN A 29 -13.835 1.412 4.657 1.00 0.00 C ATOM 430 CD GLN A 29 -14.611 0.628 5.697 1.00 0.00 C ATOM 431 OE1 GLN A 29 -14.273 -0.513 6.012 1.00 0.00 O ATOM 432 NE2 GLN A 29 -15.659 1.238 6.239 1.00 0.00 N ATOM 0 H GLN A 29 -12.070 2.129 3.099 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.520 2.639 1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.433 2.701 4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.325 1.215 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.102 0.757 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.280 2.211 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.904 2.185 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.218 0.760 6.945 1.00 0.00 H new ATOM 441 N THR A 30 -14.602 5.016 2.087 1.00 0.00 N ATOM 442 CA THR A 30 -14.647 6.444 2.303 1.00 0.00 C ATOM 443 C THR A 30 -15.914 7.001 1.680 1.00 0.00 C ATOM 444 O THR A 30 -16.031 7.105 0.460 1.00 0.00 O ATOM 445 CB THR A 30 -13.416 7.117 1.712 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.623 8.512 1.594 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.054 6.575 0.351 1.00 0.00 C ATOM 0 H THR A 30 -15.169 4.694 1.302 1.00 0.00 H new ATOM 0 HA THR A 30 -14.653 6.646 3.374 1.00 0.00 H new ATOM 0 HB THR A 30 -12.595 6.905 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.119 8.978 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.169 7.091 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.847 5.508 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.884 6.735 -0.337 1.00 0.00 H new ATOM 455 N SER A 31 -16.866 7.326 2.534 1.00 0.00 N ATOM 456 CA SER A 31 -18.152 7.853 2.097 1.00 0.00 C ATOM 457 C SER A 31 -18.083 9.351 1.819 1.00 0.00 C ATOM 458 O SER A 31 -19.095 9.971 1.489 1.00 0.00 O ATOM 459 CB SER A 31 -19.214 7.577 3.158 1.00 0.00 C ATOM 460 OG SER A 31 -20.508 7.912 2.687 1.00 0.00 O ATOM 0 H SER A 31 -16.774 7.234 3.546 1.00 0.00 H new ATOM 0 HA SER A 31 -18.418 7.350 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.187 6.524 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.991 8.151 4.057 1.00 0.00 H new ATOM 0 HG SER A 31 -20.443 8.658 2.055 1.00 0.00 H new ATOM 466 N LEU A 32 -16.899 9.938 1.960 1.00 0.00 N ATOM 467 CA LEU A 32 -16.741 11.364 1.726 1.00 0.00 C ATOM 468 C LEU A 32 -15.339 11.713 1.207 1.00 0.00 C ATOM 469 O LEU A 32 -14.725 12.678 1.651 1.00 0.00 O ATOM 470 CB LEU A 32 -17.066 12.125 3.020 1.00 0.00 C ATOM 471 CG LEU A 32 -16.007 12.090 4.135 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.228 10.781 4.128 1.00 0.00 C ATOM 473 CD2 LEU A 32 -15.068 13.285 4.023 1.00 0.00 C ATOM 0 H LEU A 32 -16.045 9.452 2.232 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.438 11.667 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.252 13.168 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.996 11.725 3.424 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.529 12.152 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.489 10.793 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.915 9.948 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.722 10.664 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.327 13.241 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.563 13.262 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.641 14.208 4.111 1.00 0.00 H new ATOM 485 N PRO A 33 -14.814 10.939 0.240 1.00 0.00 N ATOM 486 CA PRO A 33 -13.497 11.184 -0.334 1.00 0.00 C ATOM 487 C PRO A 33 -13.552 12.076 -1.562 1.00 0.00 C ATOM 488 O PRO A 33 -12.519 12.511 -2.071 1.00 0.00 O ATOM 489 CB PRO A 33 -13.065 9.785 -0.752 1.00 0.00 C ATOM 490 CG PRO A 33 -14.336 9.117 -1.169 1.00 0.00 C ATOM 491 CD PRO A 33 -15.457 9.771 -0.390 1.00 0.00 C ATOM 0 HA PRO A 33 -12.832 11.691 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.346 9.818 -1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.587 9.253 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.496 9.228 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.295 8.048 -0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.277 10.070 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.874 9.094 0.355 1.00 0.00 H new ATOM 499 N LEU A 34 -14.760 12.317 -2.063 1.00 0.00 N ATOM 500 CA LEU A 34 -14.927 13.122 -3.264 1.00 0.00 C ATOM 501 C LEU A 34 -14.232 12.408 -4.413 1.00 0.00 C ATOM 502 O LEU A 34 -13.832 13.014 -5.406 1.00 0.00 O ATOM 503 CB LEU A 34 -14.349 14.529 -3.064 1.00 0.00 C ATOM 504 CG LEU A 34 -14.219 14.992 -1.605 1.00 0.00 C ATOM 505 CD1 LEU A 34 -13.954 16.486 -1.547 1.00 0.00 C ATOM 506 CD2 LEU A 34 -15.467 14.639 -0.802 1.00 0.00 C ATOM 0 H LEU A 34 -15.629 11.969 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.987 13.240 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -13.363 14.567 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -14.979 15.240 -3.597 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.374 14.468 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.864 16.799 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.028 16.712 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.780 17.020 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.346 14.979 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.335 15.127 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.613 13.559 -0.812 1.00 0.00 H new ATOM 518 N PHE A 35 -14.084 11.097 -4.231 1.00 0.00 N ATOM 519 CA PHE A 35 -13.426 10.236 -5.205 1.00 0.00 C ATOM 520 C PHE A 35 -14.230 8.960 -5.441 1.00 0.00 C ATOM 521 O PHE A 35 -14.913 8.821 -6.456 1.00 0.00 O ATOM 522 CB PHE A 35 -12.020 9.877 -4.712 1.00 0.00 C ATOM 523 CG PHE A 35 -11.103 11.061 -4.600 1.00 0.00 C ATOM 524 CD1 PHE A 35 -11.058 12.018 -5.602 1.00 0.00 C ATOM 525 CD2 PHE A 35 -10.286 11.217 -3.492 1.00 0.00 C ATOM 526 CE1 PHE A 35 -10.214 13.108 -5.500 1.00 0.00 C ATOM 527 CE2 PHE A 35 -9.440 12.305 -3.385 1.00 0.00 C ATOM 528 CZ PHE A 35 -9.404 13.251 -4.390 1.00 0.00 C ATOM 0 H PHE A 35 -14.418 10.604 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.357 10.777 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.098 9.394 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.579 9.150 -5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.689 11.911 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.310 10.480 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.188 13.847 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.808 12.415 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.744 14.102 -4.309 1.00 0.00 H new ATOM 538 N ARG A 36 -14.142 8.027 -4.494 1.00 0.00 N ATOM 539 CA ARG A 36 -14.858 6.760 -4.598 1.00 0.00 C ATOM 540 C ARG A 36 -16.354 6.969 -4.397 1.00 0.00 C ATOM 541 O ARG A 36 -17.171 6.463 -5.166 1.00 0.00 O ATOM 542 CB ARG A 36 -14.330 5.755 -3.566 1.00 0.00 C ATOM 543 CG ARG A 36 -12.834 5.858 -3.300 1.00 0.00 C ATOM 544 CD ARG A 36 -12.025 5.783 -4.587 1.00 0.00 C ATOM 545 NE ARG A 36 -10.741 6.468 -4.464 1.00 0.00 N ATOM 546 CZ ARG A 36 -9.734 6.028 -3.713 1.00 0.00 C ATOM 547 NH1 ARG A 36 -9.855 4.902 -3.021 1.00 0.00 N ATOM 548 NH2 ARG A 36 -8.601 6.716 -3.655 1.00 0.00 N ATOM 0 H ARG A 36 -13.582 8.126 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.690 6.360 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.865 5.901 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.558 4.746 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.619 6.797 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.528 5.054 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.856 4.739 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.597 6.227 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.608 7.335 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.723 4.368 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.080 4.570 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.502 7.581 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.829 6.379 -3.080 1.00 0.00 H new ATOM 562 N SER A 37 -16.700 7.725 -3.360 1.00 0.00 N ATOM 563 CA SER A 37 -18.096 8.018 -3.047 1.00 0.00 C ATOM 564 C SER A 37 -18.852 6.761 -2.615 1.00 0.00 C ATOM 565 O SER A 37 -19.288 6.653 -1.470 1.00 0.00 O ATOM 566 CB SER A 37 -18.789 8.652 -4.256 1.00 0.00 C ATOM 567 OG SER A 37 -18.033 9.734 -4.769 1.00 0.00 O ATOM 0 H SER A 37 -16.029 8.148 -2.718 1.00 0.00 H new ATOM 0 HA SER A 37 -18.106 8.721 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.929 7.901 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.781 9.001 -3.968 1.00 0.00 H new ATOM 0 HG SER A 37 -18.497 10.120 -5.541 1.00 0.00 H new ATOM 573 N LYS A 38 -19.016 5.824 -3.543 1.00 0.00 N ATOM 574 CA LYS A 38 -19.737 4.583 -3.263 1.00 0.00 C ATOM 575 C LYS A 38 -18.889 3.600 -2.456 1.00 0.00 C ATOM 576 O LYS A 38 -19.422 2.685 -1.830 1.00 0.00 O ATOM 577 CB LYS A 38 -20.184 3.920 -4.570 1.00 0.00 C ATOM 578 CG LYS A 38 -20.560 4.908 -5.663 1.00 0.00 C ATOM 579 CD LYS A 38 -19.469 5.016 -6.717 1.00 0.00 C ATOM 580 CE LYS A 38 -19.546 3.872 -7.716 1.00 0.00 C ATOM 581 NZ LYS A 38 -19.021 2.600 -7.146 1.00 0.00 N ATOM 0 H LYS A 38 -18.660 5.898 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.611 4.845 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.381 3.278 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.039 3.276 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.492 4.594 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.740 5.889 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.562 5.966 -7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.492 5.013 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.581 3.731 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.978 4.131 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.741 1.963 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.195 2.803 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.760 2.145 -6.573 1.00 0.00 H new ATOM 595 N GLN A 39 -17.572 3.784 -2.479 1.00 0.00 N ATOM 596 CA GLN A 39 -16.669 2.896 -1.750 1.00 0.00 C ATOM 597 C GLN A 39 -16.751 1.479 -2.312 1.00 0.00 C ATOM 598 O GLN A 39 -17.726 1.126 -2.975 1.00 0.00 O ATOM 599 CB GLN A 39 -17.012 2.883 -0.256 1.00 0.00 C ATOM 600 CG GLN A 39 -17.450 4.234 0.289 1.00 0.00 C ATOM 601 CD GLN A 39 -17.817 4.175 1.759 1.00 0.00 C ATOM 602 OE1 GLN A 39 -17.118 4.728 2.608 1.00 0.00 O ATOM 603 NE2 GLN A 39 -18.919 3.502 2.068 1.00 0.00 N ATOM 0 H GLN A 39 -17.108 4.534 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.652 3.270 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.807 2.157 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.141 2.542 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.647 4.957 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.306 4.592 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.469 3.059 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -19.216 3.428 3.041 1.00 0.00 H new ATOM 612 N PHE A 40 -15.729 0.667 -2.043 1.00 0.00 N ATOM 613 CA PHE A 40 -15.698 -0.714 -2.528 1.00 0.00 C ATOM 614 C PHE A 40 -14.333 -1.355 -2.300 1.00 0.00 C ATOM 615 O PHE A 40 -13.475 -0.793 -1.620 1.00 0.00 O ATOM 616 CB PHE A 40 -16.041 -0.772 -4.021 1.00 0.00 C ATOM 617 CG PHE A 40 -15.298 0.237 -4.848 1.00 0.00 C ATOM 618 CD1 PHE A 40 -13.967 0.039 -5.177 1.00 0.00 C ATOM 619 CD2 PHE A 40 -15.931 1.385 -5.296 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.282 0.966 -5.937 1.00 0.00 C ATOM 621 CE2 PHE A 40 -15.251 2.316 -6.057 1.00 0.00 C ATOM 622 CZ PHE A 40 -13.924 2.106 -6.379 1.00 0.00 C ATOM 0 H PHE A 40 -14.914 0.940 -1.494 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.444 -1.271 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.821 -1.771 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.112 -0.614 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.459 -0.851 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -16.968 1.554 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.244 0.800 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.756 3.207 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.390 2.831 -6.975 1.00 0.00 H new ATOM 632 N ALA A 41 -14.146 -2.538 -2.878 1.00 0.00 N ATOM 633 CA ALA A 41 -12.894 -3.270 -2.750 1.00 0.00 C ATOM 634 C ALA A 41 -12.201 -3.411 -4.101 1.00 0.00 C ATOM 635 O ALA A 41 -12.792 -3.139 -5.145 1.00 0.00 O ATOM 636 CB ALA A 41 -13.158 -4.641 -2.150 1.00 0.00 C ATOM 0 H ALA A 41 -14.852 -3.011 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.233 -2.709 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.218 -5.184 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.610 -4.526 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.836 -5.197 -2.798 1.00 0.00 H new ATOM 642 N VAL A 42 -10.948 -3.848 -4.068 1.00 0.00 N ATOM 643 CA VAL A 42 -10.171 -4.038 -5.287 1.00 0.00 C ATOM 644 C VAL A 42 -8.970 -4.937 -5.014 1.00 0.00 C ATOM 645 O VAL A 42 -8.205 -4.698 -4.080 1.00 0.00 O ATOM 646 CB VAL A 42 -9.693 -2.690 -5.883 1.00 0.00 C ATOM 647 CG1 VAL A 42 -9.269 -1.725 -4.784 1.00 0.00 C ATOM 648 CG2 VAL A 42 -8.558 -2.902 -6.882 1.00 0.00 C ATOM 0 H VAL A 42 -10.448 -4.078 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.824 -4.514 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.534 -2.248 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.938 -0.787 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.114 -1.534 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.451 -2.162 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.243 -1.939 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.716 -3.379 -6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.904 -3.539 -7.696 1.00 0.00 H new ATOM 658 N LYS A 43 -8.808 -5.971 -5.832 1.00 0.00 N ATOM 659 CA LYS A 43 -7.698 -6.894 -5.664 1.00 0.00 C ATOM 660 C LYS A 43 -6.485 -6.434 -6.465 1.00 0.00 C ATOM 661 O LYS A 43 -6.542 -6.306 -7.688 1.00 0.00 O ATOM 662 CB LYS A 43 -8.107 -8.307 -6.080 1.00 0.00 C ATOM 663 CG LYS A 43 -8.300 -9.248 -4.899 1.00 0.00 C ATOM 664 CD LYS A 43 -9.593 -8.958 -4.160 1.00 0.00 C ATOM 665 CE LYS A 43 -10.793 -9.130 -5.071 1.00 0.00 C ATOM 666 NZ LYS A 43 -11.791 -10.080 -4.503 1.00 0.00 N ATOM 0 H LYS A 43 -9.428 -6.188 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.426 -6.908 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.034 -8.257 -6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.346 -8.718 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.305 -10.279 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.458 -9.150 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.684 -9.626 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.572 -7.941 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.266 -8.162 -5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.461 -9.491 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.932 -10.871 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.444 -10.446 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.695 -9.587 -4.355 1.00 0.00 H new ATOM 680 N ARG A 44 -5.390 -6.179 -5.757 1.00 0.00 N ATOM 681 CA ARG A 44 -4.156 -5.723 -6.385 1.00 0.00 C ATOM 682 C ARG A 44 -3.105 -6.827 -6.394 1.00 0.00 C ATOM 683 O ARG A 44 -3.059 -7.663 -5.492 1.00 0.00 O ATOM 684 CB ARG A 44 -3.603 -4.495 -5.651 1.00 0.00 C ATOM 685 CG ARG A 44 -4.673 -3.573 -5.081 1.00 0.00 C ATOM 686 CD ARG A 44 -4.863 -2.334 -5.940 1.00 0.00 C ATOM 687 NE ARG A 44 -4.910 -2.650 -7.367 1.00 0.00 N ATOM 688 CZ ARG A 44 -5.446 -1.849 -8.285 1.00 0.00 C ATOM 689 NH1 ARG A 44 -5.986 -0.690 -7.927 1.00 0.00 N ATOM 690 NH2 ARG A 44 -5.441 -2.208 -9.560 1.00 0.00 N ATOM 0 H ARG A 44 -5.332 -6.281 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.388 -5.453 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.959 -4.831 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.978 -3.926 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.617 -4.113 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.396 -3.276 -4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.786 -1.832 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.048 -1.635 -5.751 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.509 -3.535 -7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.991 -0.411 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.396 -0.079 -8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.027 -3.098 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.852 -1.595 -10.264 1.00 0.00 H new ATOM 704 N ARG A 45 -2.253 -6.815 -7.414 1.00 0.00 N ATOM 705 CA ARG A 45 -1.193 -7.806 -7.538 1.00 0.00 C ATOM 706 C ARG A 45 0.026 -7.381 -6.725 1.00 0.00 C ATOM 707 O ARG A 45 0.239 -6.192 -6.489 1.00 0.00 O ATOM 708 CB ARG A 45 -0.808 -7.982 -9.009 1.00 0.00 C ATOM 709 CG ARG A 45 -0.104 -9.296 -9.304 1.00 0.00 C ATOM 710 CD ARG A 45 0.755 -9.196 -10.554 1.00 0.00 C ATOM 711 NE ARG A 45 0.229 -10.008 -11.649 1.00 0.00 N ATOM 712 CZ ARG A 45 0.949 -10.392 -12.701 1.00 0.00 C ATOM 713 NH1 ARG A 45 2.226 -10.043 -12.804 1.00 0.00 N ATOM 714 NH2 ARG A 45 0.392 -11.129 -13.653 1.00 0.00 N ATOM 0 H ARG A 45 -2.277 -6.128 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.557 -8.758 -7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.708 -7.917 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.160 -7.158 -9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.519 -9.576 -8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.844 -10.086 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.813 -8.155 -10.871 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.771 -9.516 -10.322 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.748 -10.298 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.661 -9.478 -12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.772 -10.340 -13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.588 -11.402 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.944 -11.423 -14.459 1.00 0.00 H new ATOM 728 N PHE A 46 0.824 -8.354 -6.296 1.00 0.00 N ATOM 729 CA PHE A 46 2.019 -8.065 -5.508 1.00 0.00 C ATOM 730 C PHE A 46 2.911 -7.054 -6.225 1.00 0.00 C ATOM 731 O PHE A 46 3.447 -6.135 -5.607 1.00 0.00 O ATOM 732 CB PHE A 46 2.799 -9.353 -5.230 1.00 0.00 C ATOM 733 CG PHE A 46 2.895 -9.691 -3.768 1.00 0.00 C ATOM 734 CD1 PHE A 46 3.623 -8.888 -2.905 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.259 -10.812 -3.259 1.00 0.00 C ATOM 736 CE1 PHE A 46 3.713 -9.196 -1.560 1.00 0.00 C ATOM 737 CE2 PHE A 46 2.346 -11.125 -1.917 1.00 0.00 C ATOM 738 CZ PHE A 46 3.075 -10.316 -1.066 1.00 0.00 C ATOM 0 H PHE A 46 0.667 -9.345 -6.479 1.00 0.00 H new ATOM 0 HA PHE A 46 1.703 -7.633 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.320 -10.179 -5.755 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.805 -9.255 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.126 -8.012 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.689 -11.448 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.282 -8.561 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.845 -12.001 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.145 -10.560 -0.016 1.00 0.00 H new ATOM 748 N SER A 47 3.060 -7.230 -7.534 1.00 0.00 N ATOM 749 CA SER A 47 3.880 -6.335 -8.340 1.00 0.00 C ATOM 750 C SER A 47 3.233 -4.957 -8.461 1.00 0.00 C ATOM 751 O SER A 47 3.912 -3.933 -8.385 1.00 0.00 O ATOM 752 CB SER A 47 4.103 -6.931 -9.732 1.00 0.00 C ATOM 753 OG SER A 47 2.998 -6.672 -10.580 1.00 0.00 O ATOM 0 H SER A 47 2.622 -7.987 -8.060 1.00 0.00 H new ATOM 0 HA SER A 47 4.842 -6.219 -7.841 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.008 -6.511 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.258 -8.007 -9.650 1.00 0.00 H new ATOM 0 HG SER A 47 3.165 -7.061 -11.464 1.00 0.00 H new ATOM 759 N ASP A 48 1.917 -4.941 -8.655 1.00 0.00 N ATOM 760 CA ASP A 48 1.177 -3.689 -8.792 1.00 0.00 C ATOM 761 C ASP A 48 1.191 -2.895 -7.489 1.00 0.00 C ATOM 762 O ASP A 48 1.527 -1.711 -7.477 1.00 0.00 O ATOM 763 CB ASP A 48 -0.267 -3.969 -9.214 1.00 0.00 C ATOM 764 CG ASP A 48 -0.353 -4.897 -10.411 1.00 0.00 C ATOM 765 OD1 ASP A 48 0.652 -5.016 -11.143 1.00 0.00 O ATOM 766 OD2 ASP A 48 -1.424 -5.505 -10.614 1.00 0.00 O ATOM 0 H ASP A 48 1.341 -5.780 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 48 1.667 -3.093 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.808 -4.410 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.762 -3.027 -9.452 1.00 0.00 H new ATOM 771 N PHE A 49 0.828 -3.555 -6.394 1.00 0.00 N ATOM 772 CA PHE A 49 0.803 -2.908 -5.086 1.00 0.00 C ATOM 773 C PHE A 49 2.178 -2.349 -4.736 1.00 0.00 C ATOM 774 O PHE A 49 2.294 -1.324 -4.065 1.00 0.00 O ATOM 775 CB PHE A 49 0.355 -3.904 -4.013 1.00 0.00 C ATOM 776 CG PHE A 49 -0.591 -3.321 -3.000 1.00 0.00 C ATOM 777 CD1 PHE A 49 -0.469 -2.001 -2.595 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.599 -4.096 -2.450 1.00 0.00 C ATOM 779 CE1 PHE A 49 -1.335 -1.465 -1.661 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.468 -3.567 -1.516 1.00 0.00 C ATOM 781 CZ PHE A 49 -2.336 -2.249 -1.120 1.00 0.00 C ATOM 0 H PHE A 49 0.548 -4.536 -6.386 1.00 0.00 H new ATOM 0 HA PHE A 49 0.092 -2.082 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.125 -4.754 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.235 -4.287 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.312 -1.384 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.707 -5.126 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.230 -0.435 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.250 -4.182 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.014 -1.833 -0.389 1.00 0.00 H new ATOM 791 N LEU A 50 3.214 -3.033 -5.203 1.00 0.00 N ATOM 792 CA LEU A 50 4.589 -2.621 -4.955 1.00 0.00 C ATOM 793 C LEU A 50 4.903 -1.296 -5.646 1.00 0.00 C ATOM 794 O LEU A 50 5.706 -0.505 -5.154 1.00 0.00 O ATOM 795 CB LEU A 50 5.561 -3.706 -5.427 1.00 0.00 C ATOM 796 CG LEU A 50 6.477 -4.268 -4.337 1.00 0.00 C ATOM 797 CD1 LEU A 50 6.527 -5.786 -4.409 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.875 -3.680 -4.459 1.00 0.00 C ATOM 0 H LEU A 50 3.126 -3.883 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 50 4.708 -2.478 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.986 -4.526 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.179 -3.297 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 50 6.069 -3.985 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.183 -6.166 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.524 -6.190 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.909 -6.092 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.512 -4.091 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.291 -3.931 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.824 -2.596 -4.354 1.00 0.00 H new ATOM 810 N GLY A 51 4.275 -1.070 -6.799 1.00 0.00 N ATOM 811 CA GLY A 51 4.514 0.149 -7.557 1.00 0.00 C ATOM 812 C GLY A 51 4.448 1.406 -6.707 1.00 0.00 C ATOM 813 O GLY A 51 5.158 2.374 -6.974 1.00 0.00 O ATOM 0 H GLY A 51 3.604 -1.711 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.495 0.089 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.778 0.221 -8.358 1.00 0.00 H new ATOM 817 N LEU A 52 3.611 1.391 -5.678 1.00 0.00 N ATOM 818 CA LEU A 52 3.478 2.538 -4.787 1.00 0.00 C ATOM 819 C LEU A 52 4.566 2.504 -3.738 1.00 0.00 C ATOM 820 O LEU A 52 5.309 3.465 -3.549 1.00 0.00 O ATOM 821 CB LEU A 52 2.116 2.520 -4.095 1.00 0.00 C ATOM 822 CG LEU A 52 0.907 2.669 -5.015 1.00 0.00 C ATOM 823 CD1 LEU A 52 -0.191 3.446 -4.307 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.312 3.350 -6.314 1.00 0.00 C ATOM 0 H LEU A 52 3.014 0.599 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 52 3.567 3.448 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.019 1.583 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.092 3.324 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 52 0.521 1.680 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.050 3.548 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.490 2.913 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.179 4.435 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.440 3.449 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.717 4.338 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.070 2.751 -6.818 1.00 0.00 H new ATOM 836 N TYR A 53 4.637 1.378 -3.057 1.00 0.00 N ATOM 837 CA TYR A 53 5.621 1.175 -2.004 1.00 0.00 C ATOM 838 C TYR A 53 7.036 1.463 -2.510 1.00 0.00 C ATOM 839 O TYR A 53 7.823 2.126 -1.833 1.00 0.00 O ATOM 840 CB TYR A 53 5.531 -0.259 -1.470 1.00 0.00 C ATOM 841 CG TYR A 53 6.707 -0.674 -0.612 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.899 -1.089 -1.193 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.624 -0.650 0.774 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.976 -1.470 -0.415 1.00 0.00 C ATOM 845 CE2 TYR A 53 7.697 -1.029 1.559 1.00 0.00 C ATOM 846 CZ TYR A 53 8.870 -1.438 0.961 1.00 0.00 C ATOM 847 OH TYR A 53 9.940 -1.816 1.738 1.00 0.00 O ATOM 0 H TYR A 53 4.020 0.581 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 53 5.403 1.872 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.616 -0.361 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.450 -0.945 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.985 -1.114 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.707 -0.330 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.896 -1.791 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.617 -1.005 2.636 1.00 0.00 H new ATOM 0 HH TYR A 53 9.701 -1.735 2.685 1.00 0.00 H new ATOM 857 N GLU A 54 7.353 0.959 -3.698 1.00 0.00 N ATOM 858 CA GLU A 54 8.674 1.164 -4.283 1.00 0.00 C ATOM 859 C GLU A 54 8.821 2.577 -4.846 1.00 0.00 C ATOM 860 O GLU A 54 9.875 3.195 -4.714 1.00 0.00 O ATOM 861 CB GLU A 54 8.941 0.130 -5.379 1.00 0.00 C ATOM 862 CG GLU A 54 7.954 0.189 -6.533 1.00 0.00 C ATOM 863 CD GLU A 54 8.557 0.792 -7.787 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.007 1.957 -7.729 1.00 0.00 O ATOM 865 OE2 GLU A 54 8.579 0.102 -8.827 1.00 0.00 O ATOM 0 H GLU A 54 6.716 0.408 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 54 9.411 1.038 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.949 0.278 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.912 -0.867 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.598 -0.817 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.086 0.776 -6.234 1.00 0.00 H new ATOM 872 N LYS A 55 7.762 3.084 -5.473 1.00 0.00 N ATOM 873 CA LYS A 55 7.790 4.424 -6.052 1.00 0.00 C ATOM 874 C LYS A 55 7.845 5.487 -4.961 1.00 0.00 C ATOM 875 O LYS A 55 8.494 6.521 -5.120 1.00 0.00 O ATOM 876 CB LYS A 55 6.562 4.651 -6.939 1.00 0.00 C ATOM 877 CG LYS A 55 6.509 6.039 -7.560 1.00 0.00 C ATOM 878 CD LYS A 55 5.837 6.015 -8.923 1.00 0.00 C ATOM 879 CE LYS A 55 4.381 6.440 -8.832 1.00 0.00 C ATOM 880 NZ LYS A 55 3.583 5.509 -7.987 1.00 0.00 N ATOM 0 H LYS A 55 6.878 2.590 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 55 8.689 4.507 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.555 3.906 -7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.661 4.492 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.967 6.714 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.520 6.433 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.369 6.679 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.899 5.011 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.322 7.447 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.951 6.481 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.576 5.764 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.714 4.534 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.901 5.578 -6.999 1.00 0.00 H new ATOM 894 N LEU A 56 7.158 5.228 -3.856 1.00 0.00 N ATOM 895 CA LEU A 56 7.125 6.163 -2.738 1.00 0.00 C ATOM 896 C LEU A 56 8.484 6.232 -2.046 1.00 0.00 C ATOM 897 O LEU A 56 8.948 7.310 -1.676 1.00 0.00 O ATOM 898 CB LEU A 56 6.044 5.747 -1.735 1.00 0.00 C ATOM 899 CG LEU A 56 4.678 6.412 -1.932 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.725 7.863 -1.485 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.231 6.311 -3.386 1.00 0.00 C ATOM 0 H LEU A 56 6.615 4.377 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 56 6.888 7.153 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.915 4.666 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.398 5.973 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 56 3.949 5.885 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.747 8.321 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.993 7.910 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.469 8.401 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.259 6.790 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.959 6.809 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.155 5.262 -3.671 1.00 0.00 H new ATOM 913 N SER A 57 9.112 5.074 -1.870 1.00 0.00 N ATOM 914 CA SER A 57 10.415 5.000 -1.217 1.00 0.00 C ATOM 915 C SER A 57 11.534 5.460 -2.151 1.00 0.00 C ATOM 916 O SER A 57 12.428 6.200 -1.744 1.00 0.00 O ATOM 917 CB SER A 57 10.688 3.571 -0.744 1.00 0.00 C ATOM 918 OG SER A 57 10.138 3.346 0.542 1.00 0.00 O ATOM 0 H SER A 57 8.740 4.173 -2.171 1.00 0.00 H new ATOM 0 HA SER A 57 10.395 5.669 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.262 2.862 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.763 3.392 -0.720 1.00 0.00 H new ATOM 0 HG SER A 57 10.324 2.425 0.821 1.00 0.00 H new ATOM 1417 N SER A 90 9.024 -18.952 5.364 1.00 0.00 N ATOM 1418 CA SER A 90 8.033 -18.690 6.402 1.00 0.00 C ATOM 1419 C SER A 90 6.686 -18.322 5.788 1.00 0.00 C ATOM 1420 O SER A 90 6.612 -17.499 4.876 1.00 0.00 O ATOM 1421 CB SER A 90 8.510 -17.566 7.324 1.00 0.00 C ATOM 1422 OG SER A 90 7.577 -17.328 8.364 1.00 0.00 O ATOM 0 HA SER A 90 7.909 -19.601 6.987 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.477 -17.829 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.655 -16.654 6.745 1.00 0.00 H new ATOM 0 HG SER A 90 7.906 -16.607 8.940 1.00 0.00 H new ATOM 1428 N ALA A 91 5.623 -18.935 6.299 1.00 0.00 N ATOM 1429 CA ALA A 91 4.277 -18.672 5.806 1.00 0.00 C ATOM 1430 C ALA A 91 3.799 -17.289 6.230 1.00 0.00 C ATOM 1431 O ALA A 91 3.251 -16.533 5.428 1.00 0.00 O ATOM 1432 CB ALA A 91 3.315 -19.734 6.315 1.00 0.00 C ATOM 0 H ALA A 91 5.669 -19.618 7.055 1.00 0.00 H new ATOM 0 HA ALA A 91 4.303 -18.705 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.313 -19.527 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.638 -20.715 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.304 -19.723 7.405 1.00 0.00 H new ATOM 1438 N GLU A 92 4.008 -16.970 7.501 1.00 0.00 N ATOM 1439 CA GLU A 92 3.599 -15.683 8.049 1.00 0.00 C ATOM 1440 C GLU A 92 4.326 -14.531 7.359 1.00 0.00 C ATOM 1441 O GLU A 92 3.826 -13.407 7.315 1.00 0.00 O ATOM 1442 CB GLU A 92 3.861 -15.649 9.555 1.00 0.00 C ATOM 1443 CG GLU A 92 5.336 -15.592 9.917 1.00 0.00 C ATOM 1444 CD GLU A 92 5.707 -14.324 10.662 1.00 0.00 C ATOM 1445 OE1 GLU A 92 5.055 -13.285 10.426 1.00 0.00 O ATOM 1446 OE2 GLU A 92 6.649 -14.371 11.481 1.00 0.00 O ATOM 0 H GLU A 92 4.461 -17.588 8.174 1.00 0.00 H new ATOM 0 HA GLU A 92 2.531 -15.561 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.357 -14.782 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.418 -16.534 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.589 -16.456 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.932 -15.662 9.007 1.00 0.00 H new ATOM 1453 N PHE A 93 5.511 -14.815 6.823 1.00 0.00 N ATOM 1454 CA PHE A 93 6.307 -13.800 6.138 1.00 0.00 C ATOM 1455 C PHE A 93 5.470 -13.046 5.108 1.00 0.00 C ATOM 1456 O PHE A 93 5.428 -11.816 5.110 1.00 0.00 O ATOM 1457 CB PHE A 93 7.516 -14.448 5.457 1.00 0.00 C ATOM 1458 CG PHE A 93 8.835 -13.966 5.990 1.00 0.00 C ATOM 1459 CD1 PHE A 93 9.235 -14.286 7.278 1.00 0.00 C ATOM 1460 CD2 PHE A 93 9.674 -13.194 5.204 1.00 0.00 C ATOM 1461 CE1 PHE A 93 10.447 -13.843 7.771 1.00 0.00 C ATOM 1462 CE2 PHE A 93 10.888 -12.749 5.692 1.00 0.00 C ATOM 1463 CZ PHE A 93 11.275 -13.074 6.977 1.00 0.00 C ATOM 0 H PHE A 93 5.941 -15.740 6.850 1.00 0.00 H new ATOM 0 HA PHE A 93 6.655 -13.085 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.456 -15.529 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.471 -14.247 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.592 -14.888 7.903 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.376 -12.937 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.747 -14.098 8.777 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.533 -12.148 5.069 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.223 -12.728 7.360 1.00 0.00 H new ATOM 1473 N LEU A 94 4.803 -13.790 4.232 1.00 0.00 N ATOM 1474 CA LEU A 94 3.966 -13.190 3.200 1.00 0.00 C ATOM 1475 C LEU A 94 2.808 -12.417 3.823 1.00 0.00 C ATOM 1476 O LEU A 94 2.326 -11.437 3.254 1.00 0.00 O ATOM 1477 CB LEU A 94 3.426 -14.268 2.258 1.00 0.00 C ATOM 1478 CG LEU A 94 3.210 -13.816 0.811 1.00 0.00 C ATOM 1479 CD1 LEU A 94 4.470 -14.039 -0.009 1.00 0.00 C ATOM 1480 CD2 LEU A 94 2.032 -14.553 0.192 1.00 0.00 C ATOM 0 H LEU A 94 4.826 -14.810 4.216 1.00 0.00 H new ATOM 0 HA LEU A 94 4.580 -12.494 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.118 -15.110 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.478 -14.633 2.654 1.00 0.00 H new ATOM 0 HG LEU A 94 2.985 -12.750 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.299 -13.712 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.291 -13.466 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.725 -15.099 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.893 -14.219 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.228 -15.625 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.129 -14.344 0.766 1.00 0.00 H new ATOM 1492 N GLU A 95 2.364 -12.866 4.992 1.00 0.00 N ATOM 1493 CA GLU A 95 1.260 -12.218 5.691 1.00 0.00 C ATOM 1494 C GLU A 95 1.671 -10.849 6.224 1.00 0.00 C ATOM 1495 O GLU A 95 0.979 -9.857 6.008 1.00 0.00 O ATOM 1496 CB GLU A 95 0.772 -13.101 6.842 1.00 0.00 C ATOM 1497 CG GLU A 95 -0.742 -13.131 6.987 1.00 0.00 C ATOM 1498 CD GLU A 95 -1.307 -14.537 6.939 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -1.591 -15.024 5.824 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -1.464 -15.151 8.014 1.00 0.00 O ATOM 0 H GLU A 95 2.752 -13.676 5.476 1.00 0.00 H new ATOM 0 HA GLU A 95 0.448 -12.076 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.134 -14.117 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.211 -12.744 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.022 -12.664 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.191 -12.536 6.192 1.00 0.00 H new ATOM 1507 N LYS A 96 2.801 -10.801 6.923 1.00 0.00 N ATOM 1508 CA LYS A 96 3.298 -9.551 7.490 1.00 0.00 C ATOM 1509 C LYS A 96 3.409 -8.461 6.426 1.00 0.00 C ATOM 1510 O LYS A 96 3.364 -7.271 6.736 1.00 0.00 O ATOM 1511 CB LYS A 96 4.661 -9.772 8.149 1.00 0.00 C ATOM 1512 CG LYS A 96 4.972 -8.776 9.254 1.00 0.00 C ATOM 1513 CD LYS A 96 5.465 -7.452 8.690 1.00 0.00 C ATOM 1514 CE LYS A 96 6.446 -6.773 9.633 1.00 0.00 C ATOM 1515 NZ LYS A 96 5.941 -5.456 10.108 1.00 0.00 N ATOM 0 H LYS A 96 3.390 -11.613 7.111 1.00 0.00 H new ATOM 0 HA LYS A 96 2.582 -9.221 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.697 -10.781 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.438 -9.711 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.078 -8.606 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.728 -9.193 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.944 -7.622 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.615 -6.793 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.633 -7.420 10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.400 -6.634 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.639 -5.027 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.787 -4.829 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.043 -5.591 10.615 1.00 0.00 H new ATOM 1529 N ARG A 97 3.560 -8.874 5.171 1.00 0.00 N ATOM 1530 CA ARG A 97 3.685 -7.931 4.065 1.00 0.00 C ATOM 1531 C ARG A 97 2.374 -7.191 3.808 1.00 0.00 C ATOM 1532 O ARG A 97 2.379 -6.017 3.438 1.00 0.00 O ATOM 1533 CB ARG A 97 4.122 -8.663 2.795 1.00 0.00 C ATOM 1534 CG ARG A 97 5.453 -9.380 2.933 1.00 0.00 C ATOM 1535 CD ARG A 97 6.605 -8.397 3.052 1.00 0.00 C ATOM 1536 NE ARG A 97 6.617 -7.435 1.952 1.00 0.00 N ATOM 1537 CZ ARG A 97 7.077 -7.708 0.734 1.00 0.00 C ATOM 1538 NH1 ARG A 97 7.562 -8.912 0.455 1.00 0.00 N ATOM 1539 NH2 ARG A 97 7.052 -6.775 -0.209 1.00 0.00 N ATOM 0 H ARG A 97 3.599 -9.855 4.895 1.00 0.00 H new ATOM 0 HA ARG A 97 4.441 -7.196 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.355 -9.388 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.189 -7.946 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.431 -10.024 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.611 -10.025 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.531 -7.864 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.548 -8.943 3.067 1.00 0.00 H new ATOM 0 HE ARG A 97 6.251 -6.499 2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.583 -9.633 1.176 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.913 -9.116 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.680 -5.848 -0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.405 -6.984 -1.143 1.00 0.00 H new ATOM 1553 N ARG A 98 1.255 -7.884 3.994 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.058 -7.287 3.767 1.00 0.00 C ATOM 1555 C ARG A 98 -0.363 -6.203 4.796 1.00 0.00 C ATOM 1556 O ARG A 98 -0.991 -5.193 4.478 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.145 -8.368 3.786 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.470 -8.897 5.176 1.00 0.00 C ATOM 1559 CD ARG A 98 -2.816 -8.392 5.667 1.00 0.00 C ATOM 1560 NE ARG A 98 -3.286 -9.133 6.836 1.00 0.00 N ATOM 1561 CZ ARG A 98 -2.875 -8.894 8.080 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -1.983 -7.942 8.321 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -3.357 -9.612 9.085 1.00 0.00 N ATOM 0 H ARG A 98 1.230 -8.857 4.300 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.047 -6.816 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.054 -7.962 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.827 -9.200 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.474 -9.987 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.690 -8.592 5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.737 -7.334 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.549 -8.477 4.865 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.969 -9.877 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.608 -7.388 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.672 -7.764 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.042 -10.346 8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.043 -9.430 10.038 1.00 0.00 H new ATOM 1577 N ALA A 99 0.088 -6.414 6.025 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.135 -5.451 7.095 1.00 0.00 C ATOM 1579 C ALA A 99 0.523 -4.116 6.765 1.00 0.00 C ATOM 1580 O ALA A 99 -0.081 -3.056 6.926 1.00 0.00 O ATOM 1581 CB ALA A 99 0.395 -5.997 8.413 1.00 0.00 C ATOM 0 H ALA A 99 0.611 -7.244 6.306 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.208 -5.285 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.222 -5.268 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.121 -6.926 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.464 -6.189 8.324 1.00 0.00 H new ATOM 1587 N ALA A 100 1.764 -4.181 6.297 1.00 0.00 N ATOM 1588 CA ALA A 100 2.515 -2.986 5.936 1.00 0.00 C ATOM 1589 C ALA A 100 1.866 -2.256 4.768 1.00 0.00 C ATOM 1590 O ALA A 100 1.960 -1.033 4.659 1.00 0.00 O ATOM 1591 CB ALA A 100 3.953 -3.341 5.599 1.00 0.00 C ATOM 0 H ALA A 100 2.273 -5.054 6.158 1.00 0.00 H new ATOM 0 HA ALA A 100 2.509 -2.318 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.498 -2.436 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.425 -3.807 6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.969 -4.035 4.759 1.00 0.00 H new ATOM 1597 N LEU A 101 1.216 -3.011 3.887 1.00 0.00 N ATOM 1598 CA LEU A 101 0.567 -2.424 2.723 1.00 0.00 C ATOM 1599 C LEU A 101 -0.497 -1.417 3.149 1.00 0.00 C ATOM 1600 O LEU A 101 -0.623 -0.345 2.558 1.00 0.00 O ATOM 1601 CB LEU A 101 -0.062 -3.517 1.850 1.00 0.00 C ATOM 1602 CG LEU A 101 0.924 -4.405 1.078 1.00 0.00 C ATOM 1603 CD1 LEU A 101 0.256 -4.992 -0.153 1.00 0.00 C ATOM 1604 CD2 LEU A 101 2.170 -3.624 0.676 1.00 0.00 C ATOM 0 H LEU A 101 1.126 -4.025 3.958 1.00 0.00 H new ATOM 0 HA LEU A 101 1.325 -1.902 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.676 -4.155 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.732 -3.042 1.133 1.00 0.00 H new ATOM 0 HG LEU A 101 1.230 -5.217 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.968 -5.619 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.601 -5.594 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.080 -4.185 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.850 -4.279 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.885 -2.786 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.668 -3.248 1.570 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.254 -1.758 4.184 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.290 -0.867 4.687 1.00 0.00 C ATOM 1618 C GLU A 102 -1.677 0.317 5.427 1.00 0.00 C ATOM 1619 O GLU A 102 -2.187 1.436 5.356 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.251 -1.617 5.609 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.458 -0.790 6.020 1.00 0.00 C ATOM 1622 CD GLU A 102 -5.295 -1.469 7.086 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -5.129 -2.691 7.284 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -6.115 -0.777 7.726 1.00 0.00 O ATOM 0 H GLU A 102 -1.171 -2.640 4.689 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.849 -0.491 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.593 -2.522 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.714 -1.932 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.121 0.178 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.078 -0.599 5.144 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.587 0.063 6.146 1.00 0.00 N ATOM 1632 CA ARG A 103 0.081 1.114 6.905 1.00 0.00 C ATOM 1633 C ARG A 103 0.629 2.193 5.980 1.00 0.00 C ATOM 1634 O ARG A 103 0.409 3.384 6.206 1.00 0.00 O ATOM 1635 CB ARG A 103 1.219 0.523 7.740 1.00 0.00 C ATOM 1636 CG ARG A 103 0.789 -0.638 8.621 1.00 0.00 C ATOM 1637 CD ARG A 103 0.267 -0.154 9.965 1.00 0.00 C ATOM 1638 NE ARG A 103 -1.121 0.293 9.882 1.00 0.00 N ATOM 1639 CZ ARG A 103 -1.844 0.668 10.935 1.00 0.00 C ATOM 1640 NH1 ARG A 103 -1.314 0.654 12.151 1.00 0.00 N ATOM 1641 NH2 ARG A 103 -3.100 1.059 10.771 1.00 0.00 N ATOM 0 H ARG A 103 -0.150 -0.856 6.218 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.655 1.568 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.012 0.187 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.643 1.307 8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.014 -1.213 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.633 -1.309 8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.346 -0.959 10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.891 0.665 10.323 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.562 0.319 8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.348 0.355 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.873 0.942 12.954 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.512 1.072 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.654 1.346 11.578 1.00 0.00 H new ATOM 1655 N TYR A 104 1.334 1.779 4.932 1.00 0.00 N ATOM 1656 CA TYR A 104 1.892 2.730 3.979 1.00 0.00 C ATOM 1657 C TYR A 104 0.782 3.360 3.139 1.00 0.00 C ATOM 1658 O TYR A 104 0.818 4.554 2.846 1.00 0.00 O ATOM 1659 CB TYR A 104 2.946 2.057 3.087 1.00 0.00 C ATOM 1660 CG TYR A 104 2.434 1.629 1.729 1.00 0.00 C ATOM 1661 CD1 TYR A 104 1.742 0.441 1.580 1.00 0.00 C ATOM 1662 CD2 TYR A 104 2.641 2.416 0.604 1.00 0.00 C ATOM 1663 CE1 TYR A 104 1.267 0.041 0.348 1.00 0.00 C ATOM 1664 CE2 TYR A 104 2.168 2.025 -0.635 1.00 0.00 C ATOM 1665 CZ TYR A 104 1.482 0.836 -0.757 1.00 0.00 C ATOM 1666 OH TYR A 104 1.007 0.442 -1.986 1.00 0.00 O ATOM 0 H TYR A 104 1.531 0.800 4.723 1.00 0.00 H new ATOM 0 HA TYR A 104 2.388 3.524 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.779 2.746 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.339 1.183 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.570 -0.185 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.179 3.347 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.729 -0.891 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 104 2.335 2.647 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 104 0.253 -0.173 -1.864 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.203 2.548 2.752 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.315 3.038 1.945 1.00 0.00 C ATOM 1678 C LEU A 105 -2.080 4.131 2.680 1.00 0.00 C ATOM 1679 O LEU A 105 -2.458 5.140 2.088 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.264 1.897 1.584 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.388 2.284 0.618 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -3.181 1.622 -0.737 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -4.750 1.917 1.196 1.00 0.00 C ATOM 0 H LEU A 105 -0.251 1.556 2.984 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.901 3.457 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.685 1.087 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.708 1.508 2.500 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.360 3.365 0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.989 1.909 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.228 1.944 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.177 0.539 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.532 2.201 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.793 0.842 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.900 2.445 2.138 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.302 3.927 3.975 1.00 0.00 N ATOM 1696 CA GLN A 106 -3.021 4.905 4.782 1.00 0.00 C ATOM 1697 C GLN A 106 -2.359 6.272 4.671 1.00 0.00 C ATOM 1698 O GLN A 106 -3.025 7.304 4.733 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.065 4.469 6.246 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.225 3.543 6.572 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.684 3.668 8.012 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.881 3.664 8.296 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -3.730 3.780 8.929 1.00 0.00 N ATOM 0 H GLN A 106 -1.996 3.098 4.485 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.042 4.972 4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.130 3.967 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.130 5.355 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.060 3.765 5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.928 2.512 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.750 3.779 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.978 3.867 9.915 1.00 0.00 H new ATOM 1712 N ARG A 107 -1.042 6.272 4.493 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.297 7.514 4.355 1.00 0.00 C ATOM 1714 C ARG A 107 -0.607 8.155 3.010 1.00 0.00 C ATOM 1715 O ARG A 107 -0.837 9.362 2.921 1.00 0.00 O ATOM 1716 CB ARG A 107 1.207 7.259 4.483 1.00 0.00 C ATOM 1717 CG ARG A 107 1.627 6.796 5.868 1.00 0.00 C ATOM 1718 CD ARG A 107 1.184 7.777 6.942 1.00 0.00 C ATOM 1719 NE ARG A 107 1.899 7.572 8.199 1.00 0.00 N ATOM 1720 CZ ARG A 107 1.477 8.032 9.375 1.00 0.00 C ATOM 1721 NH1 ARG A 107 0.346 8.722 9.459 1.00 0.00 N ATOM 1722 NH2 ARG A 107 2.187 7.799 10.471 1.00 0.00 N ATOM 0 H ARG A 107 -0.472 5.428 4.441 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.599 8.192 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.504 6.507 3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.745 8.174 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.197 5.815 6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.711 6.683 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.350 8.796 6.593 1.00 0.00 H new ATOM 0 HD3 ARG A 107 0.113 7.669 7.112 1.00 0.00 H new ATOM 0 HE ARG A 107 2.772 7.046 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.205 8.902 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.028 9.072 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.056 7.268 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.864 8.151 11.372 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.629 7.331 1.967 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.931 7.809 0.626 1.00 0.00 C ATOM 1738 C ILE A 108 -2.385 8.254 0.544 1.00 0.00 C ATOM 1739 O ILE A 108 -2.707 9.246 -0.106 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.656 6.723 -0.439 1.00 0.00 C ATOM 1741 CG1 ILE A 108 0.818 6.313 -0.410 1.00 0.00 C ATOM 1742 CG2 ILE A 108 -1.044 7.216 -1.827 1.00 0.00 C ATOM 1743 CD1 ILE A 108 1.025 4.820 -0.295 1.00 0.00 C ATOM 0 H ILE A 108 -0.441 6.330 2.026 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.277 8.657 0.421 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.266 5.851 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.305 6.671 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.308 6.806 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -0.842 6.435 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.106 7.462 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.462 8.104 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.093 4.601 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.567 4.459 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.564 4.322 -1.148 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.262 7.520 1.217 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.677 7.856 1.222 1.00 0.00 C ATOM 1757 C VAL A 109 -4.943 9.025 2.169 1.00 0.00 C ATOM 1758 O VAL A 109 -5.865 9.811 1.960 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.554 6.644 1.617 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -5.058 5.378 0.932 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.591 6.454 3.127 1.00 0.00 C ATOM 0 H VAL A 109 -3.019 6.693 1.763 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.947 8.146 0.207 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.571 6.847 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.687 4.537 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.102 5.508 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.029 5.181 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.216 5.594 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.580 6.284 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.004 7.347 3.596 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.122 9.127 3.212 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.260 10.196 4.195 1.00 0.00 C ATOM 1773 C ASN A 110 -4.106 11.574 3.550 1.00 0.00 C ATOM 1774 O ASN A 110 -5.030 12.386 3.580 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.222 10.028 5.309 1.00 0.00 C ATOM 1776 CG ASN A 110 -3.810 9.400 6.557 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -4.675 8.409 6.373 1.00 0.00 O flip ATOM 1778 ND2 ASN A 110 -3.490 9.801 7.677 1.00 0.00 N flip ATOM 0 H ASN A 110 -3.354 8.481 3.397 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.262 10.129 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.401 9.409 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.801 11.002 5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.821 10.565 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.894 9.369 8.508 1.00 0.00 H new ATOM 1785 N HIS A 111 -2.931 11.839 2.980 1.00 0.00 N ATOM 1786 CA HIS A 111 -2.668 13.127 2.347 1.00 0.00 C ATOM 1787 C HIS A 111 -2.758 13.028 0.825 1.00 0.00 C ATOM 1788 O HIS A 111 -2.020 12.265 0.208 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.285 13.640 2.752 1.00 0.00 C ATOM 1790 CG HIS A 111 -1.232 14.183 4.145 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -0.055 14.535 4.772 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -2.221 14.437 5.035 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -0.322 14.980 5.988 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -1.629 14.931 6.171 1.00 0.00 N ATOM 0 H HIS A 111 -2.151 11.182 2.944 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.430 13.828 2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.564 12.828 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.977 14.420 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.278 14.280 4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 111 0.405 15.325 6.709 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.119 15.214 7.019 1.00 0.00 H new ATOM 1803 N PRO A 112 -3.659 13.805 0.195 1.00 0.00 N ATOM 1804 CA PRO A 112 -3.821 13.793 -1.262 1.00 0.00 C ATOM 1805 C PRO A 112 -2.640 14.442 -1.980 1.00 0.00 C ATOM 1806 O PRO A 112 -2.077 13.869 -2.913 1.00 0.00 O ATOM 1807 CB PRO A 112 -5.098 14.606 -1.485 1.00 0.00 C ATOM 1808 CG PRO A 112 -5.194 15.506 -0.302 1.00 0.00 C ATOM 1809 CD PRO A 112 -4.579 14.756 0.848 1.00 0.00 C ATOM 0 HA PRO A 112 -3.873 12.779 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.045 15.177 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.971 13.957 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.667 16.443 -0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.232 15.760 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.048 15.426 1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.335 14.239 1.439 1.00 0.00 H new ATOM 1817 N THR A 113 -2.270 15.637 -1.535 1.00 0.00 N ATOM 1818 CA THR A 113 -1.155 16.371 -2.125 1.00 0.00 C ATOM 1819 C THR A 113 0.176 15.686 -1.823 1.00 0.00 C ATOM 1820 O THR A 113 1.161 15.878 -2.536 1.00 0.00 O ATOM 1821 CB THR A 113 -1.133 17.808 -1.606 1.00 0.00 C ATOM 1822 OG1 THR A 113 -1.738 17.889 -0.328 1.00 0.00 O ATOM 1823 CG2 THR A 113 -1.851 18.784 -2.514 1.00 0.00 C ATOM 0 H THR A 113 -2.728 16.121 -0.763 1.00 0.00 H new ATOM 0 HA THR A 113 -1.295 16.384 -3.206 1.00 0.00 H new ATOM 0 HB THR A 113 -0.079 18.083 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.713 18.816 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.798 19.785 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.378 18.783 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.895 18.487 -2.614 1.00 0.00 H new ATOM 1831 N MET A 114 0.200 14.898 -0.753 1.00 0.00 N ATOM 1832 CA MET A 114 1.409 14.192 -0.340 1.00 0.00 C ATOM 1833 C MET A 114 1.994 13.367 -1.486 1.00 0.00 C ATOM 1834 O MET A 114 3.212 13.278 -1.636 1.00 0.00 O ATOM 1835 CB MET A 114 1.086 13.289 0.859 1.00 0.00 C ATOM 1836 CG MET A 114 2.146 12.240 1.165 1.00 0.00 C ATOM 1837 SD MET A 114 1.536 10.947 2.264 1.00 0.00 S ATOM 1838 CE MET A 114 2.019 9.480 1.359 1.00 0.00 C ATOM 0 H MET A 114 -0.608 14.731 -0.153 1.00 0.00 H new ATOM 0 HA MET A 114 2.159 14.929 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.947 13.914 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.138 12.785 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.487 11.790 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.010 12.723 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.742 8.593 1.929 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.512 9.464 0.394 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.098 9.488 1.202 1.00 0.00 H new ATOM 1848 N LEU A 115 1.125 12.763 -2.288 1.00 0.00 N ATOM 1849 CA LEU A 115 1.571 11.945 -3.414 1.00 0.00 C ATOM 1850 C LEU A 115 1.570 12.745 -4.714 1.00 0.00 C ATOM 1851 O LEU A 115 2.573 12.787 -5.423 1.00 0.00 O ATOM 1852 CB LEU A 115 0.684 10.703 -3.560 1.00 0.00 C ATOM 1853 CG LEU A 115 -0.771 10.880 -3.121 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.685 9.955 -3.909 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -0.911 10.629 -1.626 1.00 0.00 C ATOM 0 H LEU A 115 0.112 12.822 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 115 2.594 11.628 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.695 10.390 -4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.125 9.892 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.069 11.908 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.715 10.096 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.607 10.185 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.389 8.920 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.952 10.759 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.593 9.612 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.288 11.336 -1.078 1.00 0.00 H new ATOM 1867 N GLN A 116 0.437 13.376 -5.018 1.00 0.00 N ATOM 1868 CA GLN A 116 0.297 14.180 -6.233 1.00 0.00 C ATOM 1869 C GLN A 116 0.791 13.424 -7.468 1.00 0.00 C ATOM 1870 O GLN A 116 1.211 14.032 -8.452 1.00 0.00 O ATOM 1871 CB GLN A 116 1.039 15.518 -6.079 1.00 0.00 C ATOM 1872 CG GLN A 116 2.515 15.479 -6.463 1.00 0.00 C ATOM 1873 CD GLN A 116 3.418 15.991 -5.358 1.00 0.00 C ATOM 1874 OE1 GLN A 116 2.969 16.680 -4.441 1.00 0.00 O ATOM 1875 NE2 GLN A 116 4.700 15.657 -5.439 1.00 0.00 N ATOM 0 H GLN A 116 -0.401 13.346 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.764 14.384 -6.378 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.538 16.268 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.956 15.846 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 116 2.795 14.455 -6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 116 2.669 16.078 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.030 15.084 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.355 15.973 -4.724 1.00 0.00 H new ATOM 1884 N ASP A 117 0.729 12.097 -7.410 1.00 0.00 N ATOM 1885 CA ASP A 117 1.162 11.264 -8.527 1.00 0.00 C ATOM 1886 C ASP A 117 -0.043 10.598 -9.194 1.00 0.00 C ATOM 1887 O ASP A 117 -0.826 9.915 -8.535 1.00 0.00 O ATOM 1888 CB ASP A 117 2.156 10.206 -8.047 1.00 0.00 C ATOM 1889 CG ASP A 117 3.596 10.618 -8.280 1.00 0.00 C ATOM 1890 OD1 ASP A 117 4.044 11.596 -7.645 1.00 0.00 O ATOM 1891 OD2 ASP A 117 4.277 9.961 -9.096 1.00 0.00 O ATOM 0 H ASP A 117 0.384 11.577 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 117 1.658 11.899 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 117 2.001 10.022 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.961 9.267 -8.565 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.219 10.802 -10.513 1.00 0.00 N ATOM 1897 CA PRO A 118 -1.348 10.232 -11.260 1.00 0.00 C ATOM 1898 C PRO A 118 -1.446 8.712 -11.151 1.00 0.00 C ATOM 1899 O PRO A 118 -2.531 8.147 -11.292 1.00 0.00 O ATOM 1900 CB PRO A 118 -1.065 10.638 -12.709 1.00 0.00 C ATOM 1901 CG PRO A 118 -0.182 11.831 -12.607 1.00 0.00 C ATOM 1902 CD PRO A 118 0.654 11.618 -11.377 1.00 0.00 C ATOM 0 HA PRO A 118 -2.298 10.597 -10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.578 9.832 -13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.987 10.873 -13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.445 11.930 -13.493 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -0.769 12.746 -12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.586 11.103 -11.608 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.921 12.563 -10.903 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.319 8.046 -10.919 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.313 6.588 -10.818 1.00 0.00 C ATOM 1912 C ASP A 119 -0.889 6.111 -9.499 1.00 0.00 C ATOM 1913 O ASP A 119 -1.806 5.291 -9.470 1.00 0.00 O ATOM 1914 CB ASP A 119 1.108 6.065 -10.920 1.00 0.00 C ATOM 1915 CG ASP A 119 1.664 6.143 -12.327 1.00 0.00 C ATOM 1916 OD1 ASP A 119 1.284 5.296 -13.163 1.00 0.00 O ATOM 1917 OD2 ASP A 119 2.481 7.049 -12.593 1.00 0.00 O ATOM 0 H ASP A 119 0.593 8.486 -10.798 1.00 0.00 H new ATOM 0 HA ASP A 119 -0.928 6.211 -11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.749 6.636 -10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.134 5.029 -10.581 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.351 6.633 -8.406 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.822 6.261 -7.085 1.00 0.00 C ATOM 1924 C VAL A 120 -2.203 6.845 -6.863 1.00 0.00 C ATOM 1925 O VAL A 120 -3.093 6.192 -6.319 1.00 0.00 O ATOM 1926 CB VAL A 120 0.136 6.736 -5.979 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.518 8.190 -6.190 1.00 0.00 C ATOM 1928 CG2 VAL A 120 -0.485 6.525 -4.610 1.00 0.00 C ATOM 0 H VAL A 120 0.409 7.313 -8.410 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.863 5.173 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 120 1.047 6.140 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.196 8.507 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.012 8.300 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.379 8.809 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.207 6.867 -3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.414 7.091 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.695 5.465 -4.465 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.381 8.074 -7.331 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.661 8.744 -7.229 1.00 0.00 C ATOM 1940 C ARG A 121 -4.718 7.907 -7.940 1.00 0.00 C ATOM 1941 O ARG A 121 -5.890 7.916 -7.565 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.583 10.150 -7.832 1.00 0.00 C ATOM 1943 CG ARG A 121 -4.919 10.878 -7.872 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.633 10.817 -6.531 1.00 0.00 C ATOM 1945 NE ARG A 121 -4.882 11.498 -5.478 1.00 0.00 N ATOM 1946 CZ ARG A 121 -4.884 12.817 -5.300 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -5.587 13.602 -6.106 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -4.179 13.352 -4.313 1.00 0.00 N ATOM 0 H ARG A 121 -1.651 8.623 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.933 8.850 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.874 10.744 -7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.188 10.079 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.758 11.919 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.552 10.436 -8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.619 11.272 -6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.788 9.775 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.323 10.929 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.130 13.195 -6.868 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.584 14.612 -5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.636 12.753 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.180 14.363 -4.175 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.285 7.171 -8.969 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.191 6.315 -9.724 1.00 0.00 C ATOM 1964 C GLU A 122 -5.092 4.863 -9.258 1.00 0.00 C ATOM 1965 O GLU A 122 -5.964 4.049 -9.559 1.00 0.00 O ATOM 1966 CB GLU A 122 -4.887 6.404 -11.221 1.00 0.00 C ATOM 1967 CG GLU A 122 -5.384 7.686 -11.868 1.00 0.00 C ATOM 1968 CD GLU A 122 -5.444 7.591 -13.380 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -5.520 6.459 -13.902 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -5.417 8.650 -14.043 1.00 0.00 O ATOM 0 H GLU A 122 -3.318 7.154 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.208 6.665 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.810 6.326 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.341 5.552 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.376 7.922 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.728 8.509 -11.585 1.00 0.00 H new ATOM 1977 N PHE A 123 -4.030 4.544 -8.521 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.832 3.189 -8.020 1.00 0.00 C ATOM 1979 C PHE A 123 -4.960 2.795 -7.073 1.00 0.00 C ATOM 1980 O PHE A 123 -5.537 1.716 -7.192 1.00 0.00 O ATOM 1981 CB PHE A 123 -2.478 3.085 -7.307 1.00 0.00 C ATOM 1982 CG PHE A 123 -2.273 1.789 -6.574 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.907 0.640 -7.257 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -2.446 1.723 -5.201 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -1.718 -0.551 -6.582 1.00 0.00 C ATOM 1986 CE2 PHE A 123 -2.257 0.534 -4.521 1.00 0.00 C ATOM 1987 CZ PHE A 123 -1.892 -0.604 -5.213 1.00 0.00 C ATOM 0 H PHE A 123 -3.297 5.203 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.840 2.502 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.682 3.205 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -2.387 3.909 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.768 0.676 -8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -2.732 2.610 -4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.434 -1.440 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -2.395 0.495 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.743 -1.534 -4.684 1.00 0.00 H new ATOM 1997 N LEU A 124 -5.267 3.679 -6.131 1.00 0.00 N ATOM 1998 CA LEU A 124 -6.325 3.428 -5.158 1.00 0.00 C ATOM 1999 C LEU A 124 -7.655 3.115 -5.842 1.00 0.00 C ATOM 2000 O LEU A 124 -8.534 2.494 -5.245 1.00 0.00 O ATOM 2001 CB LEU A 124 -6.489 4.636 -4.236 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.209 5.087 -3.530 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -4.712 6.404 -4.109 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -5.439 5.215 -2.031 1.00 0.00 C ATOM 0 H LEU A 124 -4.798 4.578 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.035 2.557 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.877 5.470 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.239 4.399 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 124 -4.443 4.329 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.801 6.707 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -4.503 6.279 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -5.476 7.171 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.517 5.537 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -6.222 5.950 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.743 4.250 -1.626 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.804 3.552 -7.091 1.00 0.00 N ATOM 2017 CA GLU A 125 -9.040 3.314 -7.833 1.00 0.00 C ATOM 2018 C GLU A 125 -8.766 2.695 -9.201 1.00 0.00 C ATOM 2019 O GLU A 125 -9.537 2.884 -10.141 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.815 4.621 -8.002 1.00 0.00 C ATOM 2021 CG GLU A 125 -11.199 4.434 -8.604 1.00 0.00 C ATOM 2022 CD GLU A 125 -12.245 5.312 -7.947 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -11.893 6.426 -7.505 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -13.416 4.885 -7.874 1.00 0.00 O ATOM 0 H GLU A 125 -7.091 4.068 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.638 2.608 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.913 5.104 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.240 5.295 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.160 4.657 -9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.495 3.389 -8.508 1.00 0.00 H new ATOM 2031 N LYS A 126 -7.671 1.949 -9.306 1.00 0.00 N ATOM 2032 CA LYS A 126 -7.311 1.299 -10.563 1.00 0.00 C ATOM 2033 C LYS A 126 -7.813 -0.143 -10.584 1.00 0.00 C ATOM 2034 O LYS A 126 -8.057 -0.740 -9.535 1.00 0.00 O ATOM 2035 CB LYS A 126 -5.793 1.332 -10.767 1.00 0.00 C ATOM 2036 CG LYS A 126 -5.323 0.570 -11.995 1.00 0.00 C ATOM 2037 CD LYS A 126 -3.810 0.615 -12.133 1.00 0.00 C ATOM 2038 CE LYS A 126 -3.307 2.041 -12.279 1.00 0.00 C ATOM 2039 NZ LYS A 126 -4.052 2.789 -13.329 1.00 0.00 N ATOM 0 H LYS A 126 -7.019 1.779 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.786 1.845 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -5.469 2.370 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -5.308 0.915 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.653 -0.467 -11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.784 0.995 -12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.350 0.153 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.505 0.030 -13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.405 2.560 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.246 2.028 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.546 3.670 -13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.125 2.204 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -5.006 3.016 -12.983 1.00 0.00 H new ATOM 2053 N GLU A 127 -7.961 -0.699 -11.782 1.00 0.00 N ATOM 2054 CA GLU A 127 -8.431 -2.072 -11.931 1.00 0.00 C ATOM 2055 C GLU A 127 -8.186 -2.581 -13.348 1.00 0.00 C ATOM 2056 O GLU A 127 -8.749 -2.062 -14.312 1.00 0.00 O ATOM 2057 CB GLU A 127 -9.920 -2.166 -11.591 1.00 0.00 C ATOM 2058 CG GLU A 127 -10.189 -2.540 -10.142 1.00 0.00 C ATOM 2059 CD GLU A 127 -10.962 -3.837 -10.006 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -10.318 -4.906 -9.930 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -12.210 -3.786 -9.977 1.00 0.00 O ATOM 0 H GLU A 127 -7.763 -0.222 -12.661 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.869 -2.698 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -10.394 -1.208 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -10.387 -2.905 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -9.241 -2.630 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.748 -1.737 -9.661 1.00 0.00 H new ATOM 2068 N GLU A 128 -7.342 -3.602 -13.466 1.00 0.00 N ATOM 2069 CA GLU A 128 -7.022 -4.183 -14.765 1.00 0.00 C ATOM 2070 C GLU A 128 -6.619 -5.647 -14.620 1.00 0.00 C ATOM 2071 O GLU A 128 -5.946 -6.167 -15.535 1.00 0.00 O ATOM 2072 CB GLU A 128 -5.897 -3.395 -15.437 1.00 0.00 C ATOM 2073 CG GLU A 128 -4.696 -3.158 -14.535 1.00 0.00 C ATOM 2074 CD GLU A 128 -3.584 -4.160 -14.769 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -3.487 -4.688 -15.897 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -2.809 -4.418 -13.824 1.00 0.00 O ATOM 2077 OXT GLU A 128 -6.979 -6.260 -13.594 1.00 0.00 O ATOM 0 H GLU A 128 -6.868 -4.043 -12.678 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.914 -4.130 -15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -5.571 -3.931 -16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.287 -2.433 -15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.314 -2.151 -14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.013 -3.209 -13.493 1.00 0.00 H new