USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 8 LYS NZ :NH3+ 178:sc= -0.306 (180deg=-0.328) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 ASN : amide:sc= -3.72! C(o=-4!,f=-6.2!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 28 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.79) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.3) USER MOD Single : A 42 GLN : amide:sc= -1.15 K(o=-1.1,f=-10!) USER MOD Single : A 44 MET CE :methyl -173:sc= -0.737 (180deg=-0.795) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 164:sc= -8.64! (180deg=-11.5!) USER MOD Single : A 49 GLN : amide:sc= -0.31 K(o=-0.31,f=-3!) USER MOD Single : A 52 HIS : no HE2:sc= -11.9! C(o=-12!,f=-18!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=-0.46) USER MOD Single : A 57 SER OG : rot 180:sc= -0.523! USER MOD Single : A 60 ASN : amide:sc= -10.2! C(o=-10!,f=-9.8!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= -0.0124 (180deg=-0.0124) USER MOD Single : A 71 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.2) USER MOD Single : A 76 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.3!) USER MOD Single : A 79 THR OG1 : rot 140:sc= -1.52 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.547! USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0495) USER MOD Single : A 105 ASN : amide:sc= 0.0374 X(o=0.037,f=-0.026) USER MOD Single : A 106 ASN : amide:sc= -3.99! K(o=-4!,f=-0.095) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -156:sc= 0 (180deg=-0.0884) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.085 -9.394 -10.300 1.00 0.00 N ATOM 96 CA ILE A 7 -2.914 -8.101 -9.662 1.00 0.00 C ATOM 97 C ILE A 7 -4.063 -7.864 -8.681 1.00 0.00 C ATOM 98 O ILE A 7 -5.218 -8.150 -8.991 1.00 0.00 O ATOM 99 CB ILE A 7 -2.767 -7.000 -10.715 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.631 -7.318 -11.688 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.592 -5.631 -10.056 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.172 -7.924 -12.983 1.00 0.00 C ATOM 0 HA ILE A 7 -1.991 -8.082 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.687 -6.961 -11.298 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.075 -6.408 -11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.932 -8.012 -11.222 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.490 -4.867 -10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.463 -5.410 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.698 -5.639 -9.432 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.343 -8.141 -13.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.707 -8.846 -12.757 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.852 -7.217 -13.459 1.00 0.00 H new ATOM 114 N LYS A 8 -3.706 -7.345 -7.514 1.00 0.00 N ATOM 115 CA LYS A 8 -4.692 -7.067 -6.485 1.00 0.00 C ATOM 116 C LYS A 8 -4.228 -5.873 -5.649 1.00 0.00 C ATOM 117 O LYS A 8 -3.049 -5.767 -5.314 1.00 0.00 O ATOM 118 CB LYS A 8 -4.974 -8.324 -5.660 1.00 0.00 C ATOM 119 CG LYS A 8 -6.386 -8.852 -5.929 1.00 0.00 C ATOM 120 CD LYS A 8 -7.442 -7.914 -5.340 1.00 0.00 C ATOM 121 CE LYS A 8 -7.365 -7.891 -3.812 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.607 -8.436 -3.221 1.00 0.00 N ATOM 0 H LYS A 8 -2.747 -7.110 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.645 -6.789 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.242 -9.094 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.862 -8.100 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.542 -8.953 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.495 -9.846 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.297 -6.907 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.435 -8.237 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.509 -8.476 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.208 -6.869 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.524 -8.444 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.414 -7.841 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.758 -9.406 -3.564 1.00 0.00 H new ATOM 136 N VAL A 9 -5.179 -5.006 -5.334 1.00 0.00 N ATOM 137 CA VAL A 9 -4.882 -3.824 -4.543 1.00 0.00 C ATOM 138 C VAL A 9 -5.795 -3.794 -3.315 1.00 0.00 C ATOM 139 O VAL A 9 -6.997 -4.033 -3.426 1.00 0.00 O ATOM 140 CB VAL A 9 -5.005 -2.570 -5.410 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.627 -2.066 -5.844 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.902 -2.827 -6.623 1.00 0.00 C ATOM 0 H VAL A 9 -6.156 -5.099 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.854 -3.854 -4.183 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.472 -1.791 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.743 -1.174 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.034 -1.824 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.121 -2.841 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.972 -1.919 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.477 -3.629 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.897 -3.117 -6.285 1.00 0.00 H new ATOM 152 N LEU A 10 -5.190 -3.499 -2.174 1.00 0.00 N ATOM 153 CA LEU A 10 -5.934 -3.436 -0.928 1.00 0.00 C ATOM 154 C LEU A 10 -5.905 -2.002 -0.394 1.00 0.00 C ATOM 155 O LEU A 10 -4.836 -1.459 -0.122 1.00 0.00 O ATOM 156 CB LEU A 10 -5.405 -4.472 0.065 1.00 0.00 C ATOM 157 CG LEU A 10 -5.312 -4.017 1.523 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.073 -3.148 1.749 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.595 -3.309 1.960 1.00 0.00 C ATOM 0 H LEU A 10 -4.193 -3.301 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.980 -3.694 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.048 -5.351 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.413 -4.785 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.203 -4.902 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.031 -2.838 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.178 -3.720 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.126 -2.266 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.502 -2.996 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.760 -2.434 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.439 -3.991 1.861 1.00 0.00 H new ATOM 171 N ILE A 11 -7.092 -1.430 -0.262 1.00 0.00 N ATOM 172 CA ILE A 11 -7.216 -0.070 0.234 1.00 0.00 C ATOM 173 C ILE A 11 -7.936 -0.087 1.584 1.00 0.00 C ATOM 174 O ILE A 11 -9.162 -0.004 1.640 1.00 0.00 O ATOM 175 CB ILE A 11 -7.892 0.822 -0.811 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.188 0.187 -1.319 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.929 1.153 -1.954 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.917 -0.738 -2.507 1.00 0.00 C ATOM 0 H ILE A 11 -7.977 -1.883 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.231 0.365 0.403 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.161 1.764 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.660 -0.377 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.888 0.968 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.434 1.788 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.060 1.677 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.607 0.231 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.855 -1.176 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.467 -0.166 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.236 -1.532 -2.202 1.00 0.00 H new ATOM 190 N VAL A 12 -7.143 -0.196 2.640 1.00 0.00 N ATOM 191 CA VAL A 12 -7.688 -0.225 3.986 1.00 0.00 C ATOM 192 C VAL A 12 -7.037 0.880 4.820 1.00 0.00 C ATOM 193 O VAL A 12 -5.832 1.103 4.728 1.00 0.00 O ATOM 194 CB VAL A 12 -7.507 -1.618 4.594 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.058 -1.841 5.030 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.471 -1.836 5.761 1.00 0.00 C ATOM 0 H VAL A 12 -6.127 -0.265 2.590 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.760 -0.029 3.968 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.742 -2.353 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.956 -2.838 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.400 -1.748 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.784 -1.096 5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.322 -2.833 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.282 -1.090 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.498 -1.740 5.408 1.00 0.00 H new ATOM 206 N ASP A 13 -7.865 1.544 5.614 1.00 0.00 N ATOM 207 CA ASP A 13 -7.385 2.621 6.463 1.00 0.00 C ATOM 208 C ASP A 13 -8.241 2.684 7.730 1.00 0.00 C ATOM 209 O ASP A 13 -9.265 2.011 7.827 1.00 0.00 O ATOM 210 CB ASP A 13 -7.491 3.971 5.753 1.00 0.00 C ATOM 211 CG ASP A 13 -6.891 4.010 4.346 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.242 3.110 3.554 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.094 4.940 4.094 1.00 0.00 O ATOM 0 H ASP A 13 -8.865 1.357 5.687 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.341 2.422 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.543 4.251 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.996 4.726 6.364 1.00 0.00 H new ATOM 218 N ASP A 14 -7.788 3.501 8.670 1.00 0.00 N ATOM 219 CA ASP A 14 -8.499 3.662 9.927 1.00 0.00 C ATOM 220 C ASP A 14 -9.757 4.501 9.693 1.00 0.00 C ATOM 221 O ASP A 14 -10.700 4.445 10.481 1.00 0.00 O ATOM 222 CB ASP A 14 -7.634 4.387 10.960 1.00 0.00 C ATOM 223 CG ASP A 14 -7.629 3.757 12.355 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.345 2.543 12.428 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.908 4.506 13.316 1.00 0.00 O ATOM 0 H ASP A 14 -6.938 4.058 8.586 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.752 2.670 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.609 4.425 10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.981 5.417 11.044 1.00 0.00 H new ATOM 230 N GLN A 15 -9.731 5.257 8.605 1.00 0.00 N ATOM 231 CA GLN A 15 -10.858 6.106 8.257 1.00 0.00 C ATOM 232 C GLN A 15 -11.101 6.072 6.747 1.00 0.00 C ATOM 233 O GLN A 15 -10.155 6.109 5.962 1.00 0.00 O ATOM 234 CB GLN A 15 -10.637 7.539 8.745 1.00 0.00 C ATOM 235 CG GLN A 15 -11.887 8.079 9.443 1.00 0.00 C ATOM 236 CD GLN A 15 -11.536 8.688 10.801 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.578 8.037 11.833 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.189 9.971 10.746 1.00 0.00 N ATOM 0 H GLN A 15 -8.948 5.299 7.953 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.746 5.721 8.757 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.792 7.567 9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.382 8.179 7.901 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.362 8.832 8.814 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.609 7.274 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.174 10.457 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.938 10.468 11.600 1.00 0.00 H new ATOM 247 N VAL A 16 -12.374 6.001 6.386 1.00 0.00 N ATOM 248 CA VAL A 16 -12.753 5.963 4.984 1.00 0.00 C ATOM 249 C VAL A 16 -12.091 7.129 4.248 1.00 0.00 C ATOM 250 O VAL A 16 -11.427 6.931 3.233 1.00 0.00 O ATOM 251 CB VAL A 16 -14.277 5.961 4.853 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.827 4.533 4.857 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.923 6.800 5.959 1.00 0.00 C ATOM 0 H VAL A 16 -13.156 5.969 7.040 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.399 5.043 4.519 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.531 6.415 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.913 4.561 4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.404 3.978 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.557 4.042 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.007 6.782 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.655 6.388 6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.568 7.828 5.890 1.00 0.00 H new ATOM 263 N THR A 17 -12.295 8.321 4.790 1.00 0.00 N ATOM 264 CA THR A 17 -11.727 9.519 4.198 1.00 0.00 C ATOM 265 C THR A 17 -10.320 9.236 3.667 1.00 0.00 C ATOM 266 O THR A 17 -10.024 9.516 2.506 1.00 0.00 O ATOM 267 CB THR A 17 -11.766 10.631 5.249 1.00 0.00 C ATOM 268 OG1 THR A 17 -11.007 10.108 6.336 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.165 10.832 5.835 1.00 0.00 C ATOM 0 H THR A 17 -12.846 8.482 5.633 1.00 0.00 H new ATOM 0 HA THR A 17 -12.307 9.846 3.335 1.00 0.00 H new ATOM 0 HB THR A 17 -11.420 11.564 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.979 10.766 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.138 11.632 6.575 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.859 11.099 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.496 9.909 6.310 1.00 0.00 H new ATOM 277 N SER A 18 -9.491 8.685 4.541 1.00 0.00 N ATOM 278 CA SER A 18 -8.124 8.361 4.174 1.00 0.00 C ATOM 279 C SER A 18 -8.115 7.287 3.084 1.00 0.00 C ATOM 280 O SER A 18 -7.488 7.462 2.041 1.00 0.00 O ATOM 281 CB SER A 18 -7.325 7.888 5.391 1.00 0.00 C ATOM 282 OG SER A 18 -7.078 8.946 6.312 1.00 0.00 O ATOM 0 H SER A 18 -9.740 8.455 5.503 1.00 0.00 H new ATOM 0 HA SER A 18 -7.650 9.264 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.870 7.089 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.376 7.467 5.060 1.00 0.00 H new ATOM 0 HG SER A 18 -6.567 8.603 7.075 1.00 0.00 H new ATOM 288 N ARG A 19 -8.818 6.199 3.363 1.00 0.00 N ATOM 289 CA ARG A 19 -8.899 5.098 2.418 1.00 0.00 C ATOM 290 C ARG A 19 -9.615 5.544 1.142 1.00 0.00 C ATOM 291 O ARG A 19 -8.990 5.691 0.094 1.00 0.00 O ATOM 292 CB ARG A 19 -9.645 3.907 3.023 1.00 0.00 C ATOM 293 CG ARG A 19 -9.444 2.647 2.179 1.00 0.00 C ATOM 294 CD ARG A 19 -10.429 2.608 1.009 1.00 0.00 C ATOM 295 NE ARG A 19 -11.812 2.467 1.517 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.804 1.875 0.838 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.572 1.367 -0.380 1.00 0.00 N ATOM 298 NH2 ARG A 19 -14.028 1.792 1.376 1.00 0.00 N ATOM 0 H ARG A 19 -9.337 6.056 4.230 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.881 4.792 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.290 3.729 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.708 4.137 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.422 2.618 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.578 1.763 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.341 3.520 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.189 1.775 0.348 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.023 2.844 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.640 1.431 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.327 0.916 -0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.205 2.180 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.783 1.341 0.859 1.00 0.00 H new ATOM 312 N LEU A 20 -10.919 5.749 1.274 1.00 0.00 N ATOM 313 CA LEU A 20 -11.727 6.175 0.145 1.00 0.00 C ATOM 314 C LEU A 20 -10.941 7.193 -0.684 1.00 0.00 C ATOM 315 O LEU A 20 -11.101 7.264 -1.902 1.00 0.00 O ATOM 316 CB LEU A 20 -13.086 6.689 0.622 1.00 0.00 C ATOM 317 CG LEU A 20 -13.404 8.149 0.294 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.814 8.521 0.757 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.344 9.086 0.875 1.00 0.00 C ATOM 0 H LEU A 20 -11.434 5.628 2.146 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.943 5.330 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.863 6.062 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.142 6.560 1.703 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.379 8.268 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.014 9.564 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.542 7.884 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.892 8.381 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.595 10.117 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.311 8.971 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.369 8.838 0.454 1.00 0.00 H new ATOM 331 N LEU A 21 -10.109 7.957 0.009 1.00 0.00 N ATOM 332 CA LEU A 21 -9.298 8.967 -0.648 1.00 0.00 C ATOM 333 C LEU A 21 -8.274 8.283 -1.555 1.00 0.00 C ATOM 334 O LEU A 21 -8.163 8.617 -2.734 1.00 0.00 O ATOM 335 CB LEU A 21 -8.673 9.907 0.386 1.00 0.00 C ATOM 336 CG LEU A 21 -9.499 11.140 0.758 1.00 0.00 C ATOM 337 CD1 LEU A 21 -9.030 11.733 2.089 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.479 12.174 -0.370 1.00 0.00 C ATOM 0 H LEU A 21 -9.979 7.896 1.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.918 9.597 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.478 9.337 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.708 10.242 0.007 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.535 10.830 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.633 12.608 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.139 10.988 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.983 12.025 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.074 13.040 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.452 12.486 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.897 11.733 -1.275 1.00 0.00 H new ATOM 350 N LEU A 22 -7.551 7.338 -0.972 1.00 0.00 N ATOM 351 CA LEU A 22 -6.541 6.604 -1.713 1.00 0.00 C ATOM 352 C LEU A 22 -7.225 5.671 -2.715 1.00 0.00 C ATOM 353 O LEU A 22 -6.821 5.595 -3.873 1.00 0.00 O ATOM 354 CB LEU A 22 -5.589 5.885 -0.755 1.00 0.00 C ATOM 355 CG LEU A 22 -6.246 4.973 0.283 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.819 3.716 -0.376 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.269 4.633 1.410 1.00 0.00 C ATOM 0 H LEU A 22 -7.645 7.064 0.006 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.919 7.290 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.893 5.289 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.999 6.636 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.081 5.512 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.280 3.085 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.568 4.002 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.017 3.165 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.761 3.984 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.400 4.122 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.949 5.551 1.904 1.00 0.00 H new ATOM 369 N GLY A 23 -8.250 4.986 -2.230 1.00 0.00 N ATOM 370 CA GLY A 23 -8.995 4.062 -3.068 1.00 0.00 C ATOM 371 C GLY A 23 -9.550 4.769 -4.307 1.00 0.00 C ATOM 372 O GLY A 23 -9.679 4.160 -5.367 1.00 0.00 O ATOM 0 H GLY A 23 -8.582 5.052 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.348 3.240 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.814 3.627 -2.496 1.00 0.00 H new ATOM 376 N ASP A 24 -9.862 6.044 -4.130 1.00 0.00 N ATOM 377 CA ASP A 24 -10.400 6.840 -5.220 1.00 0.00 C ATOM 378 C ASP A 24 -9.272 7.195 -6.191 1.00 0.00 C ATOM 379 O ASP A 24 -9.417 7.033 -7.402 1.00 0.00 O ATOM 380 CB ASP A 24 -11.005 8.147 -4.701 1.00 0.00 C ATOM 381 CG ASP A 24 -12.508 8.096 -4.419 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.941 7.081 -3.832 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.189 9.074 -4.796 1.00 0.00 O ATOM 0 H ASP A 24 -9.753 6.546 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.175 6.255 -5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.488 8.430 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.814 8.934 -5.431 1.00 0.00 H new ATOM 388 N ALA A 25 -8.174 7.671 -5.624 1.00 0.00 N ATOM 389 CA ALA A 25 -7.021 8.049 -6.425 1.00 0.00 C ATOM 390 C ALA A 25 -6.420 6.799 -7.067 1.00 0.00 C ATOM 391 O ALA A 25 -6.147 6.782 -8.267 1.00 0.00 O ATOM 392 CB ALA A 25 -6.014 8.798 -5.550 1.00 0.00 C ATOM 0 H ALA A 25 -8.057 7.804 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.317 8.722 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.150 9.081 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.482 9.694 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.692 8.153 -4.732 1.00 0.00 H new ATOM 398 N LEU A 26 -6.230 5.780 -6.241 1.00 0.00 N ATOM 399 CA LEU A 26 -5.665 4.527 -6.713 1.00 0.00 C ATOM 400 C LEU A 26 -6.496 4.010 -7.888 1.00 0.00 C ATOM 401 O LEU A 26 -5.956 3.712 -8.952 1.00 0.00 O ATOM 402 CB LEU A 26 -5.538 3.529 -5.561 1.00 0.00 C ATOM 403 CG LEU A 26 -4.276 3.650 -4.704 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.046 3.918 -5.575 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.451 4.713 -3.617 1.00 0.00 C ATOM 0 H LEU A 26 -6.458 5.797 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.651 4.680 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.406 3.642 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.577 2.521 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.113 2.698 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.163 4.000 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.913 3.097 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.185 4.849 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.540 4.779 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.652 5.679 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.286 4.440 -2.972 1.00 0.00 H new ATOM 417 N GLN A 27 -7.797 3.917 -7.655 1.00 0.00 N ATOM 418 CA GLN A 27 -8.709 3.439 -8.681 1.00 0.00 C ATOM 419 C GLN A 27 -8.645 4.346 -9.912 1.00 0.00 C ATOM 420 O GLN A 27 -8.816 3.882 -11.039 1.00 0.00 O ATOM 421 CB GLN A 27 -10.138 3.346 -8.144 1.00 0.00 C ATOM 422 CG GLN A 27 -10.772 4.733 -8.027 1.00 0.00 C ATOM 423 CD GLN A 27 -12.298 4.638 -7.991 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.924 4.663 -6.944 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.862 4.527 -9.191 1.00 0.00 N ATOM 0 H GLN A 27 -8.241 4.164 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.400 2.436 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.739 2.722 -8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.132 2.861 -7.168 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.414 5.225 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.462 5.350 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.280 4.512 -10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.876 4.457 -9.273 1.00 0.00 H new ATOM 434 N GLN A 28 -8.396 5.621 -9.657 1.00 0.00 N ATOM 435 CA GLN A 28 -8.306 6.597 -10.729 1.00 0.00 C ATOM 436 C GLN A 28 -6.953 6.486 -11.435 1.00 0.00 C ATOM 437 O GLN A 28 -6.755 7.070 -12.500 1.00 0.00 O ATOM 438 CB GLN A 28 -8.536 8.014 -10.202 1.00 0.00 C ATOM 439 CG GLN A 28 -9.134 8.913 -11.288 1.00 0.00 C ATOM 440 CD GLN A 28 -10.523 9.411 -10.882 1.00 0.00 C ATOM 441 OE1 GLN A 28 -10.804 9.672 -9.724 1.00 0.00 O ATOM 442 NE2 GLN A 28 -11.374 9.525 -11.898 1.00 0.00 N ATOM 0 H GLN A 28 -8.253 6.002 -8.722 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.091 6.384 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.205 7.982 -9.342 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.592 8.435 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.476 9.764 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.201 8.362 -12.226 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.073 9.290 -12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.327 9.848 -11.731 1.00 0.00 H new ATOM 451 N LEU A 29 -6.058 5.734 -10.814 1.00 0.00 N ATOM 452 CA LEU A 29 -4.729 5.540 -11.370 1.00 0.00 C ATOM 453 C LEU A 29 -4.788 4.466 -12.459 1.00 0.00 C ATOM 454 O LEU A 29 -4.292 4.671 -13.565 1.00 0.00 O ATOM 455 CB LEU A 29 -3.722 5.234 -10.259 1.00 0.00 C ATOM 456 CG LEU A 29 -3.364 3.759 -10.066 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.378 3.290 -11.137 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.840 3.501 -8.651 1.00 0.00 C ATOM 0 H LEU A 29 -6.226 5.251 -9.931 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.377 6.457 -11.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.805 5.786 -10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.120 5.617 -9.319 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.273 3.169 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.140 2.238 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.825 3.415 -12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.465 3.882 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.593 2.445 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.947 4.102 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.606 3.772 -7.924 1.00 0.00 H new ATOM 470 N GLY A 30 -5.400 3.344 -12.107 1.00 0.00 N ATOM 471 CA GLY A 30 -5.530 2.238 -13.040 1.00 0.00 C ATOM 472 C GLY A 30 -5.243 0.903 -12.351 1.00 0.00 C ATOM 473 O GLY A 30 -4.444 0.106 -12.842 1.00 0.00 O ATOM 0 H GLY A 30 -5.811 3.178 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.537 2.227 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.841 2.377 -13.873 1.00 0.00 H new ATOM 477 N PHE A 31 -5.908 0.700 -11.224 1.00 0.00 N ATOM 478 CA PHE A 31 -5.733 -0.526 -10.462 1.00 0.00 C ATOM 479 C PHE A 31 -6.488 -1.687 -11.112 1.00 0.00 C ATOM 480 O PHE A 31 -7.421 -1.472 -11.884 1.00 0.00 O ATOM 481 CB PHE A 31 -6.313 -0.273 -9.068 1.00 0.00 C ATOM 482 CG PHE A 31 -5.270 0.132 -8.025 1.00 0.00 C ATOM 483 CD1 PHE A 31 -4.023 0.507 -8.420 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.588 0.118 -6.704 1.00 0.00 C ATOM 485 CE1 PHE A 31 -3.055 0.883 -7.452 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.620 0.493 -5.735 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.374 0.868 -6.130 1.00 0.00 C ATOM 0 H PHE A 31 -6.569 1.363 -10.819 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.677 -0.792 -10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.067 0.511 -9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.821 -1.175 -8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.770 0.519 -9.470 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.578 -0.179 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.065 1.181 -7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.873 0.480 -4.685 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.638 1.154 -5.394 1.00 0.00 H new ATOM 497 N LYS A 32 -6.057 -2.894 -10.775 1.00 0.00 N ATOM 498 CA LYS A 32 -6.680 -4.089 -11.316 1.00 0.00 C ATOM 499 C LYS A 32 -7.954 -4.396 -10.527 1.00 0.00 C ATOM 500 O LYS A 32 -9.053 -4.361 -11.079 1.00 0.00 O ATOM 501 CB LYS A 32 -5.681 -5.248 -11.346 1.00 0.00 C ATOM 502 CG LYS A 32 -5.853 -6.088 -12.612 1.00 0.00 C ATOM 503 CD LYS A 32 -7.270 -6.657 -12.705 1.00 0.00 C ATOM 504 CE LYS A 32 -8.023 -6.061 -13.897 1.00 0.00 C ATOM 505 NZ LYS A 32 -9.253 -6.837 -14.174 1.00 0.00 N ATOM 0 H LYS A 32 -5.283 -3.069 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.977 -3.928 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.664 -4.858 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.821 -5.876 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.645 -5.476 -13.490 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.129 -6.903 -12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.224 -7.742 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.813 -6.444 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.280 -5.022 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.380 -6.061 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.752 -6.419 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.000 -7.822 -14.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.872 -6.816 -13.339 1.00 0.00 H new ATOM 519 N GLN A 33 -7.765 -4.690 -9.249 1.00 0.00 N ATOM 520 CA GLN A 33 -8.885 -5.003 -8.379 1.00 0.00 C ATOM 521 C GLN A 33 -8.715 -4.313 -7.025 1.00 0.00 C ATOM 522 O GLN A 33 -7.826 -4.666 -6.251 1.00 0.00 O ATOM 523 CB GLN A 33 -9.042 -6.515 -8.208 1.00 0.00 C ATOM 524 CG GLN A 33 -10.509 -6.932 -8.321 1.00 0.00 C ATOM 525 CD GLN A 33 -10.638 -8.448 -8.486 1.00 0.00 C ATOM 526 OE1 GLN A 33 -9.663 -9.169 -8.616 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.892 -8.889 -8.472 1.00 0.00 N ATOM 0 H GLN A 33 -6.852 -4.718 -8.795 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.796 -4.627 -8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.454 -7.033 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.648 -6.817 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.051 -6.612 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.969 -6.430 -9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.663 -8.231 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.083 -9.886 -8.574 1.00 0.00 H new ATOM 536 N ILE A 34 -9.582 -3.341 -6.778 1.00 0.00 N ATOM 537 CA ILE A 34 -9.537 -2.598 -5.531 1.00 0.00 C ATOM 538 C ILE A 34 -10.297 -3.373 -4.453 1.00 0.00 C ATOM 539 O ILE A 34 -11.407 -3.847 -4.691 1.00 0.00 O ATOM 540 CB ILE A 34 -10.050 -1.171 -5.738 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.888 -0.186 -5.884 1.00 0.00 C ATOM 542 CG2 ILE A 34 -11.009 -0.764 -4.618 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.341 1.244 -5.579 1.00 0.00 C ATOM 0 H ILE A 34 -10.319 -3.052 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.508 -2.496 -5.186 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.614 -1.144 -6.670 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.080 -0.468 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.488 -0.237 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.358 0.254 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.862 -1.443 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.491 -0.813 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.497 1.925 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.132 1.531 -6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.717 1.296 -4.557 1.00 0.00 H new ATOM 555 N THR A 35 -9.669 -3.480 -3.291 1.00 0.00 N ATOM 556 CA THR A 35 -10.272 -4.190 -2.177 1.00 0.00 C ATOM 557 C THR A 35 -10.054 -3.419 -0.873 1.00 0.00 C ATOM 558 O THR A 35 -8.924 -3.290 -0.406 1.00 0.00 O ATOM 559 CB THR A 35 -9.693 -5.606 -2.149 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.825 -6.438 -1.912 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.792 -5.846 -0.937 1.00 0.00 C ATOM 0 H THR A 35 -8.748 -3.086 -3.097 1.00 0.00 H new ATOM 0 HA THR A 35 -11.353 -4.268 -2.296 1.00 0.00 H new ATOM 0 HB THR A 35 -9.126 -5.785 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.541 -7.375 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.408 -6.866 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.959 -5.143 -0.958 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.366 -5.700 -0.022 1.00 0.00 H new ATOM 569 N ALA A 36 -11.155 -2.927 -0.323 1.00 0.00 N ATOM 570 CA ALA A 36 -11.099 -2.173 0.918 1.00 0.00 C ATOM 571 C ALA A 36 -11.448 -3.096 2.087 1.00 0.00 C ATOM 572 O ALA A 36 -12.206 -4.050 1.924 1.00 0.00 O ATOM 573 CB ALA A 36 -12.037 -0.968 0.827 1.00 0.00 C ATOM 0 H ALA A 36 -12.091 -3.036 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.093 -1.790 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.995 -0.403 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.729 -0.328 -0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.057 -1.313 0.658 1.00 0.00 H new ATOM 579 N ALA A 37 -10.877 -2.779 3.241 1.00 0.00 N ATOM 580 CA ALA A 37 -11.119 -3.569 4.436 1.00 0.00 C ATOM 581 C ALA A 37 -11.354 -2.630 5.622 1.00 0.00 C ATOM 582 O ALA A 37 -11.360 -1.410 5.462 1.00 0.00 O ATOM 583 CB ALA A 37 -9.942 -4.518 4.669 1.00 0.00 C ATOM 0 H ALA A 37 -10.248 -1.987 3.373 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.012 -4.182 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.124 -5.110 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.835 -5.182 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.027 -3.939 4.796 1.00 0.00 H new ATOM 589 N GLY A 38 -11.541 -3.235 6.786 1.00 0.00 N ATOM 590 CA GLY A 38 -11.775 -2.469 7.999 1.00 0.00 C ATOM 591 C GLY A 38 -10.593 -1.544 8.300 1.00 0.00 C ATOM 592 O GLY A 38 -10.763 -0.332 8.416 1.00 0.00 O ATOM 0 H GLY A 38 -11.535 -4.247 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.685 -1.879 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.933 -3.148 8.837 1.00 0.00 H new ATOM 596 N ASP A 39 -9.422 -2.153 8.418 1.00 0.00 N ATOM 597 CA ASP A 39 -8.213 -1.401 8.705 1.00 0.00 C ATOM 598 C ASP A 39 -7.033 -2.367 8.825 1.00 0.00 C ATOM 599 O ASP A 39 -7.223 -3.579 8.902 1.00 0.00 O ATOM 600 CB ASP A 39 -8.338 -0.638 10.025 1.00 0.00 C ATOM 601 CG ASP A 39 -9.398 -1.180 10.987 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.235 -2.343 11.413 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.347 -0.418 11.273 1.00 0.00 O ATOM 0 H ASP A 39 -9.285 -3.159 8.320 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.057 -0.691 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.371 -0.652 10.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.568 0.404 9.805 1.00 0.00 H new ATOM 608 N GLY A 40 -5.838 -1.792 8.839 1.00 0.00 N ATOM 609 CA GLY A 40 -4.627 -2.588 8.950 1.00 0.00 C ATOM 610 C GLY A 40 -4.905 -4.057 8.626 1.00 0.00 C ATOM 611 O GLY A 40 -5.172 -4.404 7.476 1.00 0.00 O ATOM 0 H GLY A 40 -5.683 -0.786 8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.868 -2.199 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.224 -2.504 9.959 1.00 0.00 H new ATOM 615 N GLU A 41 -4.832 -4.882 9.661 1.00 0.00 N ATOM 616 CA GLU A 41 -5.071 -6.306 9.501 1.00 0.00 C ATOM 617 C GLU A 41 -6.395 -6.543 8.772 1.00 0.00 C ATOM 618 O GLU A 41 -6.437 -7.250 7.766 1.00 0.00 O ATOM 619 CB GLU A 41 -5.055 -7.020 10.855 1.00 0.00 C ATOM 620 CG GLU A 41 -6.357 -6.775 11.619 1.00 0.00 C ATOM 621 CD GLU A 41 -6.334 -7.474 12.980 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.320 -8.153 13.251 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.331 -7.314 13.717 1.00 0.00 O ATOM 0 H GLU A 41 -4.611 -4.591 10.613 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.266 -6.724 8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.914 -8.090 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.210 -6.667 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.505 -5.704 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.201 -7.140 11.033 1.00 0.00 H new ATOM 630 N GLN A 42 -7.445 -5.938 9.307 1.00 0.00 N ATOM 631 CA GLN A 42 -8.768 -6.074 8.721 1.00 0.00 C ATOM 632 C GLN A 42 -8.673 -6.079 7.194 1.00 0.00 C ATOM 633 O GLN A 42 -9.505 -6.682 6.518 1.00 0.00 O ATOM 634 CB GLN A 42 -9.701 -4.965 9.208 1.00 0.00 C ATOM 635 CG GLN A 42 -10.742 -5.514 10.185 1.00 0.00 C ATOM 636 CD GLN A 42 -12.013 -5.942 9.449 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.513 -5.259 8.570 1.00 0.00 O ATOM 638 NE2 GLN A 42 -12.507 -7.109 9.855 1.00 0.00 N ATOM 0 H GLN A 42 -7.407 -5.352 10.141 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.191 -7.026 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.119 -4.182 9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.203 -4.507 8.356 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.326 -6.365 10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.986 -4.754 10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.039 -7.631 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.353 -7.482 9.425 1.00 0.00 H new ATOM 647 N GLY A 43 -7.650 -5.401 6.694 1.00 0.00 N ATOM 648 CA GLY A 43 -7.435 -5.320 5.259 1.00 0.00 C ATOM 649 C GLY A 43 -6.231 -6.165 4.837 1.00 0.00 C ATOM 650 O GLY A 43 -6.303 -6.909 3.859 1.00 0.00 O ATOM 0 H GLY A 43 -6.961 -4.903 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.327 -5.663 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.274 -4.281 4.970 1.00 0.00 H new ATOM 654 N MET A 44 -5.154 -6.023 5.593 1.00 0.00 N ATOM 655 CA MET A 44 -3.937 -6.764 5.309 1.00 0.00 C ATOM 656 C MET A 44 -4.214 -8.268 5.240 1.00 0.00 C ATOM 657 O MET A 44 -3.826 -8.930 4.280 1.00 0.00 O ATOM 658 CB MET A 44 -2.902 -6.486 6.402 1.00 0.00 C ATOM 659 CG MET A 44 -2.099 -7.745 6.730 1.00 0.00 C ATOM 660 SD MET A 44 -1.252 -8.327 5.270 1.00 0.00 S ATOM 661 CE MET A 44 -0.500 -9.811 5.918 1.00 0.00 C ATOM 0 H MET A 44 -5.098 -5.405 6.403 1.00 0.00 H new ATOM 0 HA MET A 44 -3.554 -6.439 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.227 -5.695 6.076 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.404 -6.126 7.300 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.377 -7.531 7.518 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.763 -8.522 7.109 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.170 -10.236 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.066 -9.569 6.817 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.277 -10.536 6.162 1.00 0.00 H new ATOM 671 N LYS A 45 -4.883 -8.761 6.272 1.00 0.00 N ATOM 672 CA LYS A 45 -5.217 -10.174 6.340 1.00 0.00 C ATOM 673 C LYS A 45 -6.018 -10.565 5.096 1.00 0.00 C ATOM 674 O LYS A 45 -5.850 -11.662 4.566 1.00 0.00 O ATOM 675 CB LYS A 45 -5.929 -10.493 7.657 1.00 0.00 C ATOM 676 CG LYS A 45 -5.239 -9.804 8.835 1.00 0.00 C ATOM 677 CD LYS A 45 -4.996 -10.789 9.980 1.00 0.00 C ATOM 678 CE LYS A 45 -6.311 -11.168 10.665 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.059 -12.087 11.797 1.00 0.00 N ATOM 0 H LYS A 45 -5.203 -8.208 7.067 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.311 -10.781 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.968 -10.169 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.939 -11.571 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.290 -9.380 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.854 -8.976 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.510 -11.686 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.317 -10.345 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.814 -10.270 11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.979 -11.642 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.961 -12.334 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.599 -12.952 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.439 -11.622 12.490 1.00 0.00 H new ATOM 693 N ILE A 46 -6.872 -9.647 4.669 1.00 0.00 N ATOM 694 CA ILE A 46 -7.699 -9.883 3.498 1.00 0.00 C ATOM 695 C ILE A 46 -6.800 -10.151 2.289 1.00 0.00 C ATOM 696 O ILE A 46 -7.064 -11.062 1.506 1.00 0.00 O ATOM 697 CB ILE A 46 -8.677 -8.724 3.291 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.020 -9.013 3.965 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.840 -8.402 1.804 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.817 -9.630 5.351 1.00 0.00 C ATOM 0 H ILE A 46 -7.009 -8.739 5.113 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.316 -10.770 3.640 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.261 -7.837 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.592 -8.090 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.604 -9.691 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.540 -7.575 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.874 -8.122 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.223 -9.279 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.787 -9.825 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.266 -10.565 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.253 -8.939 5.978 1.00 0.00 H new ATOM 712 N MET A 47 -5.758 -9.341 2.176 1.00 0.00 N ATOM 713 CA MET A 47 -4.818 -9.481 1.076 1.00 0.00 C ATOM 714 C MET A 47 -4.027 -10.785 1.192 1.00 0.00 C ATOM 715 O MET A 47 -3.673 -11.392 0.183 1.00 0.00 O ATOM 716 CB MET A 47 -3.852 -8.295 1.077 1.00 0.00 C ATOM 717 CG MET A 47 -4.529 -7.035 0.534 1.00 0.00 C ATOM 718 SD MET A 47 -4.625 -7.112 -1.247 1.00 0.00 S ATOM 719 CE MET A 47 -3.084 -6.319 -1.675 1.00 0.00 C ATOM 0 H MET A 47 -5.544 -8.586 2.827 1.00 0.00 H new ATOM 0 HA MET A 47 -5.380 -9.502 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.496 -8.112 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.978 -8.533 0.470 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.529 -6.939 0.956 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.968 -6.151 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.844 -6.529 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.178 -5.242 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.288 -6.701 -1.035 1.00 0.00 H new ATOM 729 N ALA A 48 -3.773 -11.176 2.432 1.00 0.00 N ATOM 730 CA ALA A 48 -3.029 -12.397 2.695 1.00 0.00 C ATOM 731 C ALA A 48 -3.805 -13.591 2.135 1.00 0.00 C ATOM 732 O ALA A 48 -3.235 -14.442 1.454 1.00 0.00 O ATOM 733 CB ALA A 48 -2.768 -12.524 4.197 1.00 0.00 C ATOM 0 H ALA A 48 -4.069 -10.669 3.266 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.059 -12.370 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.210 -13.440 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.189 -11.666 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.718 -12.557 4.730 1.00 0.00 H new ATOM 739 N GLN A 49 -5.094 -13.615 2.443 1.00 0.00 N ATOM 740 CA GLN A 49 -5.954 -14.691 1.981 1.00 0.00 C ATOM 741 C GLN A 49 -6.067 -14.661 0.454 1.00 0.00 C ATOM 742 O GLN A 49 -5.644 -15.597 -0.222 1.00 0.00 O ATOM 743 CB GLN A 49 -7.335 -14.610 2.634 1.00 0.00 C ATOM 744 CG GLN A 49 -7.214 -14.417 4.147 1.00 0.00 C ATOM 745 CD GLN A 49 -7.552 -15.708 4.894 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.991 -16.690 4.320 1.00 0.00 O ATOM 747 NE2 GLN A 49 -7.326 -15.651 6.203 1.00 0.00 N ATOM 0 H GLN A 49 -5.563 -12.906 3.007 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.505 -15.640 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.898 -13.783 2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.895 -15.521 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.201 -14.103 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.884 -13.620 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.957 -14.796 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.522 -16.462 6.790 1.00 0.00 H new ATOM 756 N ASN A 50 -6.641 -13.574 -0.042 1.00 0.00 N ATOM 757 CA ASN A 50 -6.816 -13.410 -1.475 1.00 0.00 C ATOM 758 C ASN A 50 -5.492 -12.960 -2.098 1.00 0.00 C ATOM 759 O ASN A 50 -4.481 -12.857 -1.406 1.00 0.00 O ATOM 760 CB ASN A 50 -7.869 -12.344 -1.783 1.00 0.00 C ATOM 761 CG ASN A 50 -8.764 -12.091 -0.568 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.996 -12.960 0.256 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.252 -10.856 -0.504 1.00 0.00 N ATOM 0 H ASN A 50 -6.990 -12.799 0.522 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.139 -14.366 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.378 -11.416 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.479 -12.663 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.861 -10.588 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.018 -10.177 -1.228 1.00 0.00 H new ATOM 770 N PRO A 51 -5.543 -12.698 -3.431 1.00 0.00 N ATOM 771 CA PRO A 51 -4.361 -12.262 -4.154 1.00 0.00 C ATOM 772 C PRO A 51 -4.037 -10.799 -3.844 1.00 0.00 C ATOM 773 O PRO A 51 -4.940 -9.974 -3.713 1.00 0.00 O ATOM 774 CB PRO A 51 -4.686 -12.501 -5.620 1.00 0.00 C ATOM 775 CG PRO A 51 -6.199 -12.624 -5.696 1.00 0.00 C ATOM 776 CD PRO A 51 -6.723 -12.810 -4.282 1.00 0.00 C ATOM 0 HA PRO A 51 -3.465 -12.810 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.329 -11.677 -6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.202 -13.407 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.632 -11.732 -6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.482 -13.470 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.465 -12.052 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.206 -13.780 -4.163 1.00 0.00 H new ATOM 784 N HIS A 52 -2.746 -10.522 -3.737 1.00 0.00 N ATOM 785 CA HIS A 52 -2.292 -9.173 -3.445 1.00 0.00 C ATOM 786 C HIS A 52 -1.103 -8.827 -4.343 1.00 0.00 C ATOM 787 O HIS A 52 -0.279 -9.688 -4.648 1.00 0.00 O ATOM 788 CB HIS A 52 -1.977 -9.017 -1.956 1.00 0.00 C ATOM 789 CG HIS A 52 -1.116 -10.121 -1.391 1.00 0.00 C ATOM 790 ND1 HIS A 52 -0.963 -10.331 -0.032 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.365 -11.074 -2.015 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.153 -11.365 0.144 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.216 -11.824 -1.087 1.00 0.00 N ATOM 0 H HIS A 52 -2.000 -11.209 -3.847 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.088 -8.461 -3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.475 -8.062 -1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.913 -8.979 -1.399 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.400 -9.783 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.261 -11.197 -3.083 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.160 -11.772 1.094 1.00 0.00 H new ATOM 802 N HIS A 53 -1.050 -7.564 -4.741 1.00 0.00 N ATOM 803 CA HIS A 53 0.025 -7.093 -5.597 1.00 0.00 C ATOM 804 C HIS A 53 0.514 -5.729 -5.104 1.00 0.00 C ATOM 805 O HIS A 53 1.711 -5.449 -5.131 1.00 0.00 O ATOM 806 CB HIS A 53 -0.419 -7.069 -7.061 1.00 0.00 C ATOM 807 CG HIS A 53 0.723 -7.011 -8.048 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.898 -5.960 -8.931 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.746 -7.884 -8.280 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.980 -6.200 -9.657 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.504 -7.393 -9.252 1.00 0.00 N ATOM 0 H HIS A 53 -1.735 -6.852 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 53 0.867 -7.783 -5.543 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.016 -7.958 -7.264 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.067 -6.207 -7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.911 -8.816 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.378 -5.563 -10.433 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.341 -7.835 -9.634 1.00 0.00 H new ATOM 820 N LEU A 54 -0.438 -4.918 -4.665 1.00 0.00 N ATOM 821 CA LEU A 54 -0.119 -3.591 -4.167 1.00 0.00 C ATOM 822 C LEU A 54 -1.069 -3.240 -3.020 1.00 0.00 C ATOM 823 O LEU A 54 -2.283 -3.192 -3.209 1.00 0.00 O ATOM 824 CB LEU A 54 -0.130 -2.573 -5.309 1.00 0.00 C ATOM 825 CG LEU A 54 0.371 -1.170 -4.961 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.659 -0.844 -5.720 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.717 -0.123 -5.204 1.00 0.00 C ATOM 0 H LEU A 54 -1.430 -5.155 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 54 0.893 -3.569 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.480 -2.964 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.149 -2.490 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 54 0.609 -1.147 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.994 0.159 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.431 -1.566 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.471 -0.892 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.334 0.865 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.009 -0.139 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.584 -0.348 -4.583 1.00 0.00 H new ATOM 839 N VAL A 55 -0.480 -3.003 -1.858 1.00 0.00 N ATOM 840 CA VAL A 55 -1.258 -2.657 -0.681 1.00 0.00 C ATOM 841 C VAL A 55 -1.228 -1.141 -0.481 1.00 0.00 C ATOM 842 O VAL A 55 -0.191 -0.508 -0.671 1.00 0.00 O ATOM 843 CB VAL A 55 -0.742 -3.431 0.535 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.076 -2.696 1.835 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.295 -4.856 0.553 1.00 0.00 C ATOM 0 H VAL A 55 0.528 -3.044 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.300 -2.946 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 55 0.343 -3.494 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.698 -3.267 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.611 -1.710 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.157 -2.586 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.913 -5.384 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.384 -4.823 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.983 -5.379 -0.351 1.00 0.00 H new ATOM 855 N ILE A 56 -2.378 -0.603 -0.102 1.00 0.00 N ATOM 856 CA ILE A 56 -2.497 0.827 0.125 1.00 0.00 C ATOM 857 C ILE A 56 -3.350 1.073 1.371 1.00 0.00 C ATOM 858 O ILE A 56 -4.515 0.681 1.417 1.00 0.00 O ATOM 859 CB ILE A 56 -3.024 1.527 -1.130 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.106 0.687 -1.812 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.880 1.875 -2.085 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.499 -0.547 -2.483 1.00 0.00 C ATOM 0 H ILE A 56 -3.236 -1.132 0.054 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.518 1.264 0.318 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.488 2.466 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.849 0.377 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.626 1.291 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.282 2.371 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.177 2.540 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.365 0.962 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.289 -1.127 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.774 -0.233 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.001 -1.161 -1.733 1.00 0.00 H new ATOM 874 N SER A 57 -2.736 1.721 2.351 1.00 0.00 N ATOM 875 CA SER A 57 -3.425 2.024 3.594 1.00 0.00 C ATOM 876 C SER A 57 -2.989 3.394 4.114 1.00 0.00 C ATOM 877 O SER A 57 -2.225 4.099 3.454 1.00 0.00 O ATOM 878 CB SER A 57 -3.159 0.946 4.648 1.00 0.00 C ATOM 879 OG SER A 57 -3.336 1.441 5.972 1.00 0.00 O ATOM 0 H SER A 57 -1.769 2.044 2.309 1.00 0.00 H new ATOM 0 HA SER A 57 -4.497 2.043 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.831 0.104 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.142 0.570 4.534 1.00 0.00 H new ATOM 0 HG SER A 57 -3.159 0.724 6.616 1.00 0.00 H new ATOM 885 N ASP A 58 -3.491 3.732 5.292 1.00 0.00 N ATOM 886 CA ASP A 58 -3.162 5.006 5.908 1.00 0.00 C ATOM 887 C ASP A 58 -1.907 4.844 6.768 1.00 0.00 C ATOM 888 O ASP A 58 -1.426 3.728 6.965 1.00 0.00 O ATOM 889 CB ASP A 58 -4.296 5.489 6.815 1.00 0.00 C ATOM 890 CG ASP A 58 -3.998 6.770 7.597 1.00 0.00 C ATOM 891 OD1 ASP A 58 -3.256 7.611 7.046 1.00 0.00 O ATOM 892 OD2 ASP A 58 -4.520 6.878 8.728 1.00 0.00 O ATOM 0 H ASP A 58 -4.123 3.146 5.837 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.002 5.733 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.184 5.652 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.537 4.696 7.524 1.00 0.00 H new ATOM 897 N PHE A 59 -1.411 5.972 7.256 1.00 0.00 N ATOM 898 CA PHE A 59 -0.222 5.967 8.090 1.00 0.00 C ATOM 899 C PHE A 59 -0.574 5.661 9.547 1.00 0.00 C ATOM 900 O PHE A 59 0.304 5.345 10.348 1.00 0.00 O ATOM 901 CB PHE A 59 0.386 7.369 8.009 1.00 0.00 C ATOM 902 CG PHE A 59 1.683 7.439 7.200 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.656 6.510 7.394 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.862 8.432 6.288 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.860 6.576 6.643 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.066 8.498 5.538 1.00 0.00 C ATOM 907 CZ PHE A 59 4.039 7.568 5.731 1.00 0.00 C ATOM 0 H PHE A 59 -1.811 6.895 7.089 1.00 0.00 H new ATOM 0 HA PHE A 59 0.472 5.201 7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.344 8.045 7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.580 7.729 9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.514 5.722 8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.089 9.170 6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.633 5.838 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.209 9.287 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.954 7.617 5.160 1.00 0.00 H new ATOM 917 N ASN A 60 -1.860 5.763 9.845 1.00 0.00 N ATOM 918 CA ASN A 60 -2.339 5.501 11.191 1.00 0.00 C ATOM 919 C ASN A 60 -1.633 4.263 11.748 1.00 0.00 C ATOM 920 O ASN A 60 -0.901 3.586 11.028 1.00 0.00 O ATOM 921 CB ASN A 60 -3.845 5.227 11.197 1.00 0.00 C ATOM 922 CG ASN A 60 -4.167 3.917 10.474 1.00 0.00 C ATOM 923 OD1 ASN A 60 -3.695 3.650 9.382 1.00 0.00 O ATOM 924 ND2 ASN A 60 -4.995 3.120 11.143 1.00 0.00 N ATOM 0 H ASN A 60 -2.586 6.024 9.177 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.129 6.381 11.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.205 5.177 12.225 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.370 6.051 10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.272 2.223 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.353 3.406 12.054 1.00 0.00 H new ATOM 931 N MET A 61 -1.876 4.005 13.024 1.00 0.00 N ATOM 932 CA MET A 61 -1.271 2.862 13.686 1.00 0.00 C ATOM 933 C MET A 61 -2.310 1.771 13.954 1.00 0.00 C ATOM 934 O MET A 61 -2.661 1.513 15.105 1.00 0.00 O ATOM 935 CB MET A 61 -0.645 3.308 15.008 1.00 0.00 C ATOM 936 CG MET A 61 -1.725 3.677 16.028 1.00 0.00 C ATOM 937 SD MET A 61 -1.193 5.079 16.998 1.00 0.00 S ATOM 938 CE MET A 61 -2.652 6.103 16.886 1.00 0.00 C ATOM 0 H MET A 61 -2.484 4.569 13.618 1.00 0.00 H new ATOM 0 HA MET A 61 -0.502 2.452 13.031 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.021 2.509 15.407 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.006 4.165 14.836 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.657 3.912 15.514 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.926 2.828 16.681 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.491 7.027 17.441 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.852 6.338 15.841 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.504 5.570 17.308 1.00 0.00 H new ATOM 948 N PRO A 62 -2.786 1.145 12.845 1.00 0.00 N ATOM 949 CA PRO A 62 -3.777 0.088 12.950 1.00 0.00 C ATOM 950 C PRO A 62 -3.145 -1.211 13.453 1.00 0.00 C ATOM 951 O PRO A 62 -2.074 -1.189 14.059 1.00 0.00 O ATOM 952 CB PRO A 62 -4.364 -0.040 11.553 1.00 0.00 C ATOM 953 CG PRO A 62 -3.363 0.618 10.618 1.00 0.00 C ATOM 954 CD PRO A 62 -2.392 1.424 11.467 1.00 0.00 C ATOM 0 HA PRO A 62 -4.556 0.314 13.678 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.517 -1.086 11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.336 0.449 11.492 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.829 -0.135 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.874 1.265 9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.361 1.124 11.281 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.460 2.489 11.243 1.00 0.00 H new ATOM 962 N LYS A 63 -3.832 -2.311 13.184 1.00 0.00 N ATOM 963 CA LYS A 63 -3.352 -3.616 13.603 1.00 0.00 C ATOM 964 C LYS A 63 -2.025 -3.914 12.903 1.00 0.00 C ATOM 965 O LYS A 63 -1.164 -4.595 13.459 1.00 0.00 O ATOM 966 CB LYS A 63 -4.424 -4.682 13.370 1.00 0.00 C ATOM 967 CG LYS A 63 -5.346 -4.807 14.584 1.00 0.00 C ATOM 968 CD LYS A 63 -4.979 -6.030 15.427 1.00 0.00 C ATOM 969 CE LYS A 63 -3.487 -6.348 15.312 1.00 0.00 C ATOM 970 NZ LYS A 63 -2.988 -6.959 16.565 1.00 0.00 N ATOM 0 H LYS A 63 -4.719 -2.325 12.680 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.157 -3.624 14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.011 -4.426 12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.949 -5.642 13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.275 -3.906 15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.381 -4.887 14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.236 -5.847 16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.564 -6.890 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.317 -7.027 14.477 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.930 -5.436 15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.974 -7.168 16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.132 -6.298 17.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.507 -7.840 16.752 1.00 0.00 H new ATOM 984 N MET A 64 -1.900 -3.390 11.692 1.00 0.00 N ATOM 985 CA MET A 64 -0.693 -3.591 10.909 1.00 0.00 C ATOM 986 C MET A 64 -0.410 -2.383 10.014 1.00 0.00 C ATOM 987 O MET A 64 -1.204 -2.062 9.130 1.00 0.00 O ATOM 988 CB MET A 64 -0.848 -4.843 10.045 1.00 0.00 C ATOM 989 CG MET A 64 -1.449 -5.996 10.851 1.00 0.00 C ATOM 990 SD MET A 64 -1.067 -7.554 10.066 1.00 0.00 S ATOM 991 CE MET A 64 0.451 -7.962 10.910 1.00 0.00 C ATOM 0 H MET A 64 -2.616 -2.826 11.234 1.00 0.00 H new ATOM 0 HA MET A 64 0.145 -3.714 11.595 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.486 -4.622 9.189 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.124 -5.139 9.650 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.054 -5.985 11.867 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.529 -5.873 10.927 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.830 -8.914 10.538 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.190 -7.181 10.728 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.262 -8.040 11.981 1.00 0.00 H new ATOM 1001 N ASP A 65 0.721 -1.745 10.274 1.00 0.00 N ATOM 1002 CA ASP A 65 1.117 -0.579 9.503 1.00 0.00 C ATOM 1003 C ASP A 65 2.440 -0.869 8.790 1.00 0.00 C ATOM 1004 O ASP A 65 3.069 -1.898 9.036 1.00 0.00 O ATOM 1005 CB ASP A 65 1.326 0.636 10.410 1.00 0.00 C ATOM 1006 CG ASP A 65 1.328 1.986 9.690 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.990 1.989 8.487 1.00 0.00 O ATOM 1008 OD2 ASP A 65 1.669 2.985 10.360 1.00 0.00 O ATOM 0 H ASP A 65 1.376 -2.013 11.008 1.00 0.00 H new ATOM 0 HA ASP A 65 0.324 -0.363 8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.541 0.645 11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.274 0.520 10.936 1.00 0.00 H new ATOM 1013 N GLY A 66 2.822 0.055 7.922 1.00 0.00 N ATOM 1014 CA GLY A 66 4.059 -0.089 7.172 1.00 0.00 C ATOM 1015 C GLY A 66 5.056 -0.973 7.923 1.00 0.00 C ATOM 1016 O GLY A 66 5.759 -1.778 7.315 1.00 0.00 O ATOM 0 H GLY A 66 2.298 0.906 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.847 -0.523 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.498 0.893 6.997 1.00 0.00 H new ATOM 1020 N LEU A 67 5.087 -0.791 9.236 1.00 0.00 N ATOM 1021 CA LEU A 67 5.987 -1.562 10.077 1.00 0.00 C ATOM 1022 C LEU A 67 5.474 -2.999 10.183 1.00 0.00 C ATOM 1023 O LEU A 67 6.139 -3.934 9.741 1.00 0.00 O ATOM 1024 CB LEU A 67 6.176 -0.874 11.431 1.00 0.00 C ATOM 1025 CG LEU A 67 6.745 0.545 11.388 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.117 0.565 10.712 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.764 1.510 10.722 1.00 0.00 C ATOM 0 H LEU A 67 4.504 -0.121 9.737 1.00 0.00 H new ATOM 0 HA LEU A 67 6.979 -1.610 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.212 -0.842 11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.836 -1.491 12.041 1.00 0.00 H new ATOM 0 HG LEU A 67 6.886 0.887 12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.499 1.586 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.806 -0.071 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.025 0.194 9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.194 2.512 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.567 1.182 9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.830 1.525 11.284 1.00 0.00 H new ATOM 1039 N GLY A 68 4.294 -3.130 10.772 1.00 0.00 N ATOM 1040 CA GLY A 68 3.684 -4.438 10.942 1.00 0.00 C ATOM 1041 C GLY A 68 3.446 -5.112 9.590 1.00 0.00 C ATOM 1042 O GLY A 68 3.674 -6.312 9.443 1.00 0.00 O ATOM 0 H GLY A 68 3.744 -2.352 11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.328 -5.066 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.738 -4.336 11.473 1.00 0.00 H new ATOM 1046 N LEU A 69 2.992 -4.312 8.638 1.00 0.00 N ATOM 1047 CA LEU A 69 2.722 -4.816 7.302 1.00 0.00 C ATOM 1048 C LEU A 69 3.987 -5.473 6.743 1.00 0.00 C ATOM 1049 O LEU A 69 3.933 -6.582 6.215 1.00 0.00 O ATOM 1050 CB LEU A 69 2.162 -3.705 6.412 1.00 0.00 C ATOM 1051 CG LEU A 69 0.756 -3.936 5.855 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.275 -4.009 6.982 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.396 -2.872 4.816 1.00 0.00 C ATOM 0 H LEU A 69 2.804 -3.318 8.765 1.00 0.00 H new ATOM 0 HA LEU A 69 1.950 -5.585 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.157 -2.777 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.844 -3.560 5.574 1.00 0.00 H new ATOM 0 HG LEU A 69 0.744 -4.900 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.266 -4.174 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.025 -4.832 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.270 -3.073 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.608 -3.060 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.431 -1.886 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.109 -2.912 3.992 1.00 0.00 H new ATOM 1065 N LEU A 70 5.095 -4.760 6.880 1.00 0.00 N ATOM 1066 CA LEU A 70 6.370 -5.259 6.397 1.00 0.00 C ATOM 1067 C LEU A 70 6.680 -6.595 7.073 1.00 0.00 C ATOM 1068 O LEU A 70 6.648 -7.643 6.429 1.00 0.00 O ATOM 1069 CB LEU A 70 7.464 -4.206 6.585 1.00 0.00 C ATOM 1070 CG LEU A 70 8.835 -4.550 5.999 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.886 -3.521 6.421 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.247 -5.976 6.370 1.00 0.00 C ATOM 0 H LEU A 70 5.136 -3.840 7.319 1.00 0.00 H new ATOM 0 HA LEU A 70 6.323 -5.448 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.123 -3.273 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.583 -4.022 7.653 1.00 0.00 H new ATOM 0 HG LEU A 70 8.762 -4.508 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.851 -3.789 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.592 -2.534 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.965 -3.506 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.225 -6.195 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.297 -6.070 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.513 -6.680 5.979 1.00 0.00 H new ATOM 1084 N GLN A 71 6.972 -6.516 8.363 1.00 0.00 N ATOM 1085 CA GLN A 71 7.286 -7.707 9.133 1.00 0.00 C ATOM 1086 C GLN A 71 6.308 -8.833 8.793 1.00 0.00 C ATOM 1087 O GLN A 71 6.670 -10.008 8.837 1.00 0.00 O ATOM 1088 CB GLN A 71 7.278 -7.408 10.634 1.00 0.00 C ATOM 1089 CG GLN A 71 8.151 -6.193 10.956 1.00 0.00 C ATOM 1090 CD GLN A 71 8.833 -6.354 12.316 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.457 -7.360 12.611 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.681 -5.309 13.124 1.00 0.00 N ATOM 0 H GLN A 71 6.998 -5.646 8.894 1.00 0.00 H new ATOM 0 HA GLN A 71 8.291 -8.033 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.256 -7.224 10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.641 -8.277 11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.905 -6.066 10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.539 -5.291 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.146 -4.498 12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.100 -5.318 14.054 1.00 0.00 H new ATOM 1101 N ALA A 72 5.089 -8.435 8.463 1.00 0.00 N ATOM 1102 CA ALA A 72 4.056 -9.397 8.115 1.00 0.00 C ATOM 1103 C ALA A 72 4.458 -10.130 6.834 1.00 0.00 C ATOM 1104 O ALA A 72 4.426 -11.358 6.781 1.00 0.00 O ATOM 1105 CB ALA A 72 2.714 -8.676 7.978 1.00 0.00 C ATOM 0 H ALA A 72 4.793 -7.460 8.429 1.00 0.00 H new ATOM 0 HA ALA A 72 3.946 -10.144 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.939 -9.397 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.460 -8.197 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.785 -7.920 7.196 1.00 0.00 H new ATOM 1111 N VAL A 73 4.829 -9.345 5.833 1.00 0.00 N ATOM 1112 CA VAL A 73 5.237 -9.905 4.556 1.00 0.00 C ATOM 1113 C VAL A 73 6.431 -10.837 4.769 1.00 0.00 C ATOM 1114 O VAL A 73 6.419 -11.981 4.319 1.00 0.00 O ATOM 1115 CB VAL A 73 5.527 -8.780 3.560 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.665 -7.550 3.855 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.014 -8.418 3.559 1.00 0.00 C ATOM 0 H VAL A 73 4.856 -8.326 5.881 1.00 0.00 H new ATOM 0 HA VAL A 73 4.432 -10.502 4.127 1.00 0.00 H new ATOM 0 HB VAL A 73 5.268 -9.140 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.891 -6.766 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.611 -7.818 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.878 -7.189 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.193 -7.616 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.309 -8.087 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.601 -9.293 3.279 1.00 0.00 H new ATOM 1127 N ARG A 74 7.434 -10.312 5.457 1.00 0.00 N ATOM 1128 CA ARG A 74 8.634 -11.082 5.737 1.00 0.00 C ATOM 1129 C ARG A 74 8.272 -12.538 6.039 1.00 0.00 C ATOM 1130 O ARG A 74 9.056 -13.446 5.767 1.00 0.00 O ATOM 1131 CB ARG A 74 9.400 -10.497 6.925 1.00 0.00 C ATOM 1132 CG ARG A 74 9.708 -9.014 6.703 1.00 0.00 C ATOM 1133 CD ARG A 74 10.061 -8.742 5.239 1.00 0.00 C ATOM 1134 NE ARG A 74 11.138 -9.657 4.799 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.711 -9.615 3.590 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.315 -8.702 2.691 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.682 -10.485 3.277 1.00 0.00 N ATOM 0 H ARG A 74 7.440 -9.362 5.829 1.00 0.00 H new ATOM 0 HA ARG A 74 9.270 -11.038 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.813 -10.618 7.836 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.330 -11.047 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.846 -8.412 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.536 -8.711 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.179 -8.877 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.381 -7.707 5.120 1.00 0.00 H new ATOM 0 HE ARG A 74 11.464 -10.364 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.577 -8.039 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.752 -8.670 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.984 -11.179 3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.118 -10.453 2.356 1.00 0.00 H new ATOM 1151 N ALA A 75 7.083 -12.714 6.598 1.00 0.00 N ATOM 1152 CA ALA A 75 6.608 -14.044 6.940 1.00 0.00 C ATOM 1153 C ALA A 75 5.994 -14.697 5.700 1.00 0.00 C ATOM 1154 O ALA A 75 6.372 -15.806 5.326 1.00 0.00 O ATOM 1155 CB ALA A 75 5.615 -13.948 8.100 1.00 0.00 C ATOM 0 H ALA A 75 6.435 -11.958 6.822 1.00 0.00 H new ATOM 0 HA ALA A 75 7.435 -14.674 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.258 -14.945 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.108 -13.505 8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.770 -13.325 7.805 1.00 0.00 H new ATOM 1161 N ASN A 76 5.057 -13.980 5.096 1.00 0.00 N ATOM 1162 CA ASN A 76 4.388 -14.475 3.905 1.00 0.00 C ATOM 1163 C ASN A 76 5.087 -13.919 2.663 1.00 0.00 C ATOM 1164 O ASN A 76 5.218 -12.705 2.512 1.00 0.00 O ATOM 1165 CB ASN A 76 2.926 -14.023 3.868 1.00 0.00 C ATOM 1166 CG ASN A 76 1.980 -15.215 4.019 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.213 -16.296 3.503 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.901 -14.958 4.754 1.00 0.00 N ATOM 0 H ASN A 76 4.746 -13.061 5.409 1.00 0.00 H new ATOM 0 HA ASN A 76 4.429 -15.564 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.743 -13.305 4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.724 -13.510 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.207 -15.688 4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.768 -14.031 5.157 1.00 0.00 H new ATOM 1175 N PRO A 77 5.530 -14.857 1.785 1.00 0.00 N ATOM 1176 CA PRO A 77 6.213 -14.473 0.561 1.00 0.00 C ATOM 1177 C PRO A 77 5.224 -13.925 -0.470 1.00 0.00 C ATOM 1178 O PRO A 77 5.627 -13.321 -1.462 1.00 0.00 O ATOM 1179 CB PRO A 77 6.919 -15.735 0.092 1.00 0.00 C ATOM 1180 CG PRO A 77 6.234 -16.887 0.809 1.00 0.00 C ATOM 1181 CD PRO A 77 5.392 -16.303 1.932 1.00 0.00 C ATOM 0 HA PRO A 77 6.928 -13.665 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.842 -15.847 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.981 -15.701 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.609 -17.450 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.973 -17.582 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.350 -16.612 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.746 -16.637 2.907 1.00 0.00 H new ATOM 1189 N ALA A 78 3.947 -14.154 -0.199 1.00 0.00 N ATOM 1190 CA ALA A 78 2.898 -13.690 -1.090 1.00 0.00 C ATOM 1191 C ALA A 78 2.875 -12.161 -1.092 1.00 0.00 C ATOM 1192 O ALA A 78 2.806 -11.539 -2.151 1.00 0.00 O ATOM 1193 CB ALA A 78 1.558 -14.292 -0.660 1.00 0.00 C ATOM 0 H ALA A 78 3.616 -14.655 0.625 1.00 0.00 H new ATOM 0 HA ALA A 78 3.090 -14.018 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.771 -13.943 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.617 -15.380 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.331 -13.982 0.360 1.00 0.00 H new ATOM 1199 N THR A 79 2.935 -11.599 0.107 1.00 0.00 N ATOM 1200 CA THR A 79 2.922 -10.153 0.257 1.00 0.00 C ATOM 1201 C THR A 79 4.350 -9.603 0.241 1.00 0.00 C ATOM 1202 O THR A 79 4.562 -8.428 -0.057 1.00 0.00 O ATOM 1203 CB THR A 79 2.156 -9.817 1.538 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.715 -8.577 1.961 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.478 -10.781 2.682 1.00 0.00 C ATOM 0 H THR A 79 2.993 -12.118 0.983 1.00 0.00 H new ATOM 0 HA THR A 79 2.412 -9.673 -0.579 1.00 0.00 H new ATOM 0 HB THR A 79 1.085 -9.837 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.002 -7.994 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.908 -10.498 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.212 -11.796 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.544 -10.736 2.907 1.00 0.00 H new ATOM 1213 N LYS A 80 5.291 -10.478 0.564 1.00 0.00 N ATOM 1214 CA LYS A 80 6.692 -10.094 0.590 1.00 0.00 C ATOM 1215 C LYS A 80 7.089 -9.535 -0.777 1.00 0.00 C ATOM 1216 O LYS A 80 8.049 -8.773 -0.886 1.00 0.00 O ATOM 1217 CB LYS A 80 7.560 -11.267 1.050 1.00 0.00 C ATOM 1218 CG LYS A 80 8.223 -11.960 -0.143 1.00 0.00 C ATOM 1219 CD LYS A 80 9.390 -11.128 -0.679 1.00 0.00 C ATOM 1220 CE LYS A 80 10.630 -11.999 -0.894 1.00 0.00 C ATOM 1221 NZ LYS A 80 10.718 -12.439 -2.304 1.00 0.00 N ATOM 0 H LYS A 80 5.111 -11.451 0.810 1.00 0.00 H new ATOM 0 HA LYS A 80 6.856 -9.300 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.325 -10.909 1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.948 -11.984 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.581 -12.945 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.488 -12.115 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.104 -10.657 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.622 -10.326 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.526 -11.439 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.589 -12.868 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.565 -13.029 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.872 -12.991 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.779 -11.606 -2.924 1.00 0.00 H new ATOM 1235 N LYS A 81 6.331 -9.933 -1.788 1.00 0.00 N ATOM 1236 CA LYS A 81 6.591 -9.482 -3.143 1.00 0.00 C ATOM 1237 C LYS A 81 5.596 -8.378 -3.509 1.00 0.00 C ATOM 1238 O LYS A 81 5.621 -7.858 -4.624 1.00 0.00 O ATOM 1239 CB LYS A 81 6.580 -10.665 -4.114 1.00 0.00 C ATOM 1240 CG LYS A 81 5.217 -10.806 -4.792 1.00 0.00 C ATOM 1241 CD LYS A 81 4.985 -12.243 -5.264 1.00 0.00 C ATOM 1242 CE LYS A 81 3.938 -12.943 -4.396 1.00 0.00 C ATOM 1243 NZ LYS A 81 3.521 -14.221 -5.016 1.00 0.00 N ATOM 0 H LYS A 81 5.535 -10.564 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 81 7.589 -9.050 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.353 -10.527 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.820 -11.583 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.429 -10.516 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.158 -10.126 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.657 -12.240 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.923 -12.797 -5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.347 -13.130 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.071 -12.295 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.810 -14.683 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.112 -14.035 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.348 -14.844 -5.116 1.00 0.00 H new ATOM 1257 N ALA A 82 4.743 -8.053 -2.548 1.00 0.00 N ATOM 1258 CA ALA A 82 3.741 -7.021 -2.755 1.00 0.00 C ATOM 1259 C ALA A 82 4.214 -5.720 -2.102 1.00 0.00 C ATOM 1260 O ALA A 82 4.870 -5.745 -1.062 1.00 0.00 O ATOM 1261 CB ALA A 82 2.397 -7.496 -2.200 1.00 0.00 C ATOM 0 H ALA A 82 4.725 -8.486 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 82 3.604 -6.826 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.645 -6.722 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.092 -8.407 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.495 -7.698 -1.133 1.00 0.00 H new ATOM 1267 N ALA A 83 3.862 -4.613 -2.740 1.00 0.00 N ATOM 1268 CA ALA A 83 4.242 -3.305 -2.236 1.00 0.00 C ATOM 1269 C ALA A 83 3.153 -2.792 -1.291 1.00 0.00 C ATOM 1270 O ALA A 83 2.089 -3.397 -1.178 1.00 0.00 O ATOM 1271 CB ALA A 83 4.490 -2.356 -3.411 1.00 0.00 C ATOM 0 H ALA A 83 3.317 -4.596 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 83 5.170 -3.367 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.775 -1.375 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.292 -2.751 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.580 -2.266 -4.004 1.00 0.00 H new ATOM 1277 N PHE A 84 3.458 -1.681 -0.638 1.00 0.00 N ATOM 1278 CA PHE A 84 2.518 -1.079 0.292 1.00 0.00 C ATOM 1279 C PHE A 84 2.658 0.445 0.304 1.00 0.00 C ATOM 1280 O PHE A 84 3.770 0.970 0.279 1.00 0.00 O ATOM 1281 CB PHE A 84 2.855 -1.621 1.683 1.00 0.00 C ATOM 1282 CG PHE A 84 3.741 -2.868 1.666 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.193 -4.087 1.414 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.076 -2.758 1.902 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.015 -5.245 1.398 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.898 -3.916 1.887 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.350 -5.135 1.634 1.00 0.00 C ATOM 0 H PHE A 84 4.342 -1.182 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 84 1.497 -1.321 -0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.356 -0.840 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.927 -1.854 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.133 -4.174 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.511 -1.790 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.580 -6.213 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.958 -3.829 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.975 -6.016 1.621 1.00 0.00 H new ATOM 1297 N ILE A 85 1.514 1.112 0.344 1.00 0.00 N ATOM 1298 CA ILE A 85 1.495 2.566 0.359 1.00 0.00 C ATOM 1299 C ILE A 85 1.021 3.050 1.731 1.00 0.00 C ATOM 1300 O ILE A 85 0.014 2.570 2.249 1.00 0.00 O ATOM 1301 CB ILE A 85 0.659 3.103 -0.805 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.010 2.383 -2.109 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.806 4.620 -0.929 1.00 0.00 C ATOM 1304 CD1 ILE A 85 2.403 2.783 -2.598 1.00 0.00 C ATOM 0 H ILE A 85 0.594 0.673 0.366 1.00 0.00 H new ATOM 0 HA ILE A 85 2.499 2.962 0.209 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.391 2.897 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.970 1.305 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.270 2.624 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.202 4.977 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.469 5.095 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.852 4.871 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.628 2.257 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.432 3.858 -2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.143 2.519 -1.843 1.00 0.00 H new ATOM 1316 N ILE A 86 1.771 3.995 2.280 1.00 0.00 N ATOM 1317 CA ILE A 86 1.441 4.549 3.582 1.00 0.00 C ATOM 1318 C ILE A 86 1.402 6.076 3.486 1.00 0.00 C ATOM 1319 O ILE A 86 2.439 6.719 3.328 1.00 0.00 O ATOM 1320 CB ILE A 86 2.405 4.025 4.648 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.747 2.554 4.402 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.845 4.256 6.053 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.496 1.677 4.492 1.00 0.00 C ATOM 0 H ILE A 86 2.605 4.391 1.847 1.00 0.00 H new ATOM 0 HA ILE A 86 0.449 4.222 3.894 1.00 0.00 H new ATOM 0 HB ILE A 86 3.335 4.588 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.203 2.443 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.482 2.221 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.549 3.875 6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.693 5.323 6.213 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.893 3.735 6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.767 0.637 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.056 1.772 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.772 1.997 3.742 1.00 0.00 H new ATOM 1335 N LEU A 87 0.194 6.612 3.585 1.00 0.00 N ATOM 1336 CA LEU A 87 0.006 8.052 3.512 1.00 0.00 C ATOM 1337 C LEU A 87 -0.759 8.526 4.748 1.00 0.00 C ATOM 1338 O LEU A 87 -1.290 7.713 5.504 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.661 8.437 2.190 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.191 8.462 2.193 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.760 7.110 2.623 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.718 9.608 3.060 1.00 0.00 C ATOM 0 H LEU A 87 -0.664 6.076 3.715 1.00 0.00 H new ATOM 0 HA LEU A 87 0.969 8.563 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.302 9.424 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.330 7.738 1.422 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.532 8.645 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.849 7.155 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.425 6.337 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.413 6.872 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.808 9.604 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.368 9.480 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.354 10.558 2.668 1.00 0.00 H new ATOM 1354 N THR A 88 -0.791 9.839 4.918 1.00 0.00 N ATOM 1355 CA THR A 88 -1.482 10.432 6.050 1.00 0.00 C ATOM 1356 C THR A 88 -2.210 11.708 5.623 1.00 0.00 C ATOM 1357 O THR A 88 -2.081 12.148 4.481 1.00 0.00 O ATOM 1358 CB THR A 88 -0.458 10.660 7.163 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.110 11.557 8.057 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.766 11.440 6.680 1.00 0.00 C ATOM 0 H THR A 88 -0.349 10.510 4.290 1.00 0.00 H new ATOM 0 HA THR A 88 -2.256 9.767 6.432 1.00 0.00 H new ATOM 0 HB THR A 88 -0.141 9.699 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.516 11.757 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.462 11.575 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.257 10.887 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.452 12.415 6.307 1.00 0.00 H new ATOM 1368 N ALA A 89 -2.959 12.267 6.561 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.707 13.484 6.297 1.00 0.00 C ATOM 1370 C ALA A 89 -2.739 14.590 5.874 1.00 0.00 C ATOM 1371 O ALA A 89 -3.155 15.606 5.318 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.521 13.863 7.536 1.00 0.00 C ATOM 0 H ALA A 89 -3.064 11.899 7.506 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.411 13.332 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.082 14.776 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.214 13.057 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.848 14.027 8.378 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.465 14.357 6.154 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.434 15.322 5.811 1.00 0.00 C ATOM 1380 C GLN A 90 0.627 14.671 4.922 1.00 0.00 C ATOM 1381 O GLN A 90 0.540 14.734 3.696 1.00 0.00 O ATOM 1382 CB GLN A 90 0.197 15.922 7.069 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.766 16.891 7.756 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.054 18.191 8.141 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.512 18.324 9.212 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.115 19.137 7.209 1.00 0.00 N ATOM 0 H GLN A 90 -1.123 13.514 6.615 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.897 16.136 5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.470 15.124 7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.117 16.444 6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.601 17.112 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.184 16.423 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.606 18.959 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.329 20.041 7.370 1.00 0.00 H new ATOM 1395 N GLY A 91 1.605 14.059 5.574 1.00 0.00 N ATOM 1396 CA GLY A 91 2.682 13.397 4.858 1.00 0.00 C ATOM 1397 C GLY A 91 3.821 13.020 5.807 1.00 0.00 C ATOM 1398 O GLY A 91 4.233 13.827 6.639 1.00 0.00 O ATOM 0 H GLY A 91 1.674 14.008 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.301 12.501 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.059 14.053 4.074 1.00 0.00 H new ATOM 1402 N ASP A 92 4.299 11.794 5.651 1.00 0.00 N ATOM 1403 CA ASP A 92 5.383 11.301 6.483 1.00 0.00 C ATOM 1404 C ASP A 92 6.346 10.479 5.625 1.00 0.00 C ATOM 1405 O ASP A 92 6.312 9.249 5.651 1.00 0.00 O ATOM 1406 CB ASP A 92 4.853 10.396 7.597 1.00 0.00 C ATOM 1407 CG ASP A 92 3.715 10.992 8.429 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.638 12.239 8.473 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.948 10.188 9.001 1.00 0.00 O ATOM 0 H ASP A 92 3.955 11.127 4.960 1.00 0.00 H new ATOM 0 HA ASP A 92 5.887 12.161 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.508 9.463 7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.678 10.145 8.264 1.00 0.00 H new ATOM 1414 N ARG A 93 7.183 11.191 4.885 1.00 0.00 N ATOM 1415 CA ARG A 93 8.154 10.544 4.020 1.00 0.00 C ATOM 1416 C ARG A 93 9.090 9.656 4.844 1.00 0.00 C ATOM 1417 O ARG A 93 9.539 8.613 4.371 1.00 0.00 O ATOM 1418 CB ARG A 93 8.984 11.575 3.253 1.00 0.00 C ATOM 1419 CG ARG A 93 8.216 12.104 2.041 1.00 0.00 C ATOM 1420 CD ARG A 93 8.578 13.563 1.756 1.00 0.00 C ATOM 1421 NE ARG A 93 7.553 14.461 2.333 1.00 0.00 N ATOM 1422 CZ ARG A 93 7.598 15.798 2.262 1.00 0.00 C ATOM 1423 NH1 ARG A 93 8.620 16.401 1.639 1.00 0.00 N ATOM 1424 NH2 ARG A 93 6.623 16.532 2.814 1.00 0.00 N ATOM 0 H ARG A 93 7.209 12.211 4.867 1.00 0.00 H new ATOM 0 HA ARG A 93 7.604 9.933 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.243 12.403 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.920 11.123 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.442 11.492 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.144 12.020 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.555 13.793 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.651 13.725 0.681 1.00 0.00 H new ATOM 0 HE ARG A 93 6.762 14.035 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.363 15.842 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.655 17.419 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.846 16.073 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.658 17.550 2.760 1.00 0.00 H new ATOM 1438 N ALA A 94 9.357 10.104 6.062 1.00 0.00 N ATOM 1439 CA ALA A 94 10.232 9.364 6.956 1.00 0.00 C ATOM 1440 C ALA A 94 9.570 8.035 7.325 1.00 0.00 C ATOM 1441 O ALA A 94 10.224 6.993 7.337 1.00 0.00 O ATOM 1442 CB ALA A 94 10.547 10.219 8.185 1.00 0.00 C ATOM 0 H ALA A 94 8.983 10.970 6.451 1.00 0.00 H new ATOM 0 HA ALA A 94 11.178 9.136 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.203 9.664 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.042 11.138 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.621 10.464 8.705 1.00 0.00 H new ATOM 1448 N LEU A 95 8.279 8.113 7.617 1.00 0.00 N ATOM 1449 CA LEU A 95 7.522 6.929 7.985 1.00 0.00 C ATOM 1450 C LEU A 95 7.618 5.898 6.860 1.00 0.00 C ATOM 1451 O LEU A 95 7.933 4.734 7.104 1.00 0.00 O ATOM 1452 CB LEU A 95 6.086 7.305 8.354 1.00 0.00 C ATOM 1453 CG LEU A 95 5.907 8.057 9.674 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.479 7.105 10.794 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.173 8.835 10.038 1.00 0.00 C ATOM 0 H LEU A 95 7.739 8.978 7.606 1.00 0.00 H new ATOM 0 HA LEU A 95 7.945 6.468 8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.674 7.917 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.492 6.392 8.396 1.00 0.00 H new ATOM 0 HG LEU A 95 5.106 8.785 9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.359 7.665 11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.532 6.634 10.529 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.241 6.337 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.019 9.360 10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.009 8.143 10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.395 9.557 9.252 1.00 0.00 H new ATOM 1467 N VAL A 96 7.340 6.361 5.650 1.00 0.00 N ATOM 1468 CA VAL A 96 7.390 5.493 4.486 1.00 0.00 C ATOM 1469 C VAL A 96 8.816 4.967 4.309 1.00 0.00 C ATOM 1470 O VAL A 96 9.041 3.757 4.318 1.00 0.00 O ATOM 1471 CB VAL A 96 6.872 6.238 3.254 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.709 5.904 2.018 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.393 5.934 3.012 1.00 0.00 C ATOM 0 H VAL A 96 7.079 7.327 5.451 1.00 0.00 H new ATOM 0 HA VAL A 96 6.739 4.630 4.625 1.00 0.00 H new ATOM 0 HB VAL A 96 6.968 7.307 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.319 6.447 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.745 6.194 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.660 4.833 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.050 6.476 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.263 4.863 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.811 6.246 3.879 1.00 0.00 H new ATOM 1483 N GLN A 97 9.743 5.901 4.154 1.00 0.00 N ATOM 1484 CA GLN A 97 11.140 5.545 3.977 1.00 0.00 C ATOM 1485 C GLN A 97 11.580 4.558 5.060 1.00 0.00 C ATOM 1486 O GLN A 97 12.474 3.743 4.838 1.00 0.00 O ATOM 1487 CB GLN A 97 12.027 6.792 3.977 1.00 0.00 C ATOM 1488 CG GLN A 97 11.747 7.666 2.753 1.00 0.00 C ATOM 1489 CD GLN A 97 13.034 7.954 1.978 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.463 9.087 1.836 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.624 6.869 1.487 1.00 0.00 N ATOM 0 H GLN A 97 9.554 6.903 4.147 1.00 0.00 H new ATOM 0 HA GLN A 97 11.251 5.060 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.852 7.367 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.076 6.496 3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.030 7.166 2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.291 8.604 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.211 5.949 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.490 6.956 0.954 1.00 0.00 H new ATOM 1500 N LYS A 98 10.930 4.664 6.210 1.00 0.00 N ATOM 1501 CA LYS A 98 11.242 3.791 7.329 1.00 0.00 C ATOM 1502 C LYS A 98 10.835 2.358 6.982 1.00 0.00 C ATOM 1503 O LYS A 98 11.634 1.432 7.117 1.00 0.00 O ATOM 1504 CB LYS A 98 10.601 4.318 8.614 1.00 0.00 C ATOM 1505 CG LYS A 98 11.666 4.810 9.597 1.00 0.00 C ATOM 1506 CD LYS A 98 11.790 6.335 9.554 1.00 0.00 C ATOM 1507 CE LYS A 98 12.707 6.778 8.412 1.00 0.00 C ATOM 1508 NZ LYS A 98 14.126 6.571 8.777 1.00 0.00 N ATOM 0 H LYS A 98 10.189 5.341 6.391 1.00 0.00 H new ATOM 0 HA LYS A 98 12.316 3.781 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.917 5.133 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.009 3.530 9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.409 4.491 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.627 4.356 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.803 6.780 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.184 6.698 10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.472 6.214 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.533 7.830 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.736 7.057 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.300 6.957 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.341 5.553 8.772 1.00 0.00 H new ATOM 1522 N ALA A 99 9.594 2.220 6.540 1.00 0.00 N ATOM 1523 CA ALA A 99 9.073 0.915 6.172 1.00 0.00 C ATOM 1524 C ALA A 99 10.023 0.253 5.172 1.00 0.00 C ATOM 1525 O ALA A 99 10.426 -0.894 5.359 1.00 0.00 O ATOM 1526 CB ALA A 99 7.656 1.070 5.615 1.00 0.00 C ATOM 0 H ALA A 99 8.934 2.990 6.428 1.00 0.00 H new ATOM 0 HA ALA A 99 9.012 0.267 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.265 0.091 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.014 1.517 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.679 1.713 4.735 1.00 0.00 H new ATOM 1532 N ALA A 100 10.353 1.004 4.131 1.00 0.00 N ATOM 1533 CA ALA A 100 11.248 0.505 3.102 1.00 0.00 C ATOM 1534 C ALA A 100 12.546 0.021 3.753 1.00 0.00 C ATOM 1535 O ALA A 100 13.066 -1.035 3.394 1.00 0.00 O ATOM 1536 CB ALA A 100 11.491 1.601 2.062 1.00 0.00 C ATOM 0 H ALA A 100 10.016 1.955 3.979 1.00 0.00 H new ATOM 0 HA ALA A 100 10.802 -0.344 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.163 1.227 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.542 1.890 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.941 2.468 2.545 1.00 0.00 H new ATOM 1542 N ALA A 101 13.030 0.814 4.696 1.00 0.00 N ATOM 1543 CA ALA A 101 14.257 0.479 5.398 1.00 0.00 C ATOM 1544 C ALA A 101 14.023 -0.766 6.256 1.00 0.00 C ATOM 1545 O ALA A 101 14.813 -1.708 6.217 1.00 0.00 O ATOM 1546 CB ALA A 101 14.715 1.681 6.227 1.00 0.00 C ATOM 0 H ALA A 101 12.595 1.688 4.991 1.00 0.00 H new ATOM 0 HA ALA A 101 15.054 0.248 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.636 1.430 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.894 2.531 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.942 1.940 6.950 1.00 0.00 H new ATOM 1552 N LEU A 102 12.936 -0.730 7.012 1.00 0.00 N ATOM 1553 CA LEU A 102 12.589 -1.844 7.878 1.00 0.00 C ATOM 1554 C LEU A 102 12.891 -3.159 7.156 1.00 0.00 C ATOM 1555 O LEU A 102 13.457 -4.078 7.745 1.00 0.00 O ATOM 1556 CB LEU A 102 11.140 -1.722 8.353 1.00 0.00 C ATOM 1557 CG LEU A 102 10.922 -0.934 9.647 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.556 -1.652 10.840 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.430 0.502 9.506 1.00 0.00 C ATOM 0 H LEU A 102 12.284 0.053 7.043 1.00 0.00 H new ATOM 0 HA LEU A 102 13.199 -1.829 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.558 -1.251 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.738 -2.726 8.490 1.00 0.00 H new ATOM 0 HG LEU A 102 9.850 -0.879 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.386 -1.071 11.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.106 -2.639 10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.628 -1.759 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.263 1.040 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.496 0.490 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.893 1.000 8.699 1.00 0.00 H new ATOM 1571 N GLY A 103 12.499 -3.206 5.891 1.00 0.00 N ATOM 1572 CA GLY A 103 12.721 -4.393 5.083 1.00 0.00 C ATOM 1573 C GLY A 103 11.485 -4.723 4.243 1.00 0.00 C ATOM 1574 O GLY A 103 11.078 -5.881 4.160 1.00 0.00 O ATOM 0 H GLY A 103 12.029 -2.441 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.579 -4.237 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.962 -5.237 5.729 1.00 0.00 H new ATOM 1578 N ALA A 104 10.922 -3.685 3.643 1.00 0.00 N ATOM 1579 CA ALA A 104 9.741 -3.849 2.813 1.00 0.00 C ATOM 1580 C ALA A 104 10.167 -3.990 1.350 1.00 0.00 C ATOM 1581 O ALA A 104 11.261 -3.570 0.975 1.00 0.00 O ATOM 1582 CB ALA A 104 8.793 -2.670 3.034 1.00 0.00 C ATOM 0 H ALA A 104 11.262 -2.726 3.715 1.00 0.00 H new ATOM 0 HA ALA A 104 9.202 -4.755 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.907 -2.794 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.497 -2.633 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.298 -1.742 2.766 1.00 0.00 H new ATOM 1588 N ASN A 105 9.280 -4.582 0.563 1.00 0.00 N ATOM 1589 CA ASN A 105 9.551 -4.783 -0.850 1.00 0.00 C ATOM 1590 C ASN A 105 9.498 -3.434 -1.572 1.00 0.00 C ATOM 1591 O ASN A 105 10.401 -3.099 -2.337 1.00 0.00 O ATOM 1592 CB ASN A 105 8.505 -5.701 -1.487 1.00 0.00 C ATOM 1593 CG ASN A 105 8.961 -6.177 -2.867 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.793 -5.504 -3.871 1.00 0.00 O ATOM 1595 ND2 ASN A 105 9.544 -7.372 -2.862 1.00 0.00 N ATOM 0 H ASN A 105 8.374 -4.929 0.877 1.00 0.00 H new ATOM 0 HA ASN A 105 10.536 -5.240 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.330 -6.561 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.557 -5.171 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.882 -7.778 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.653 -7.883 -1.986 1.00 0.00 H new ATOM 1602 N ASN A 106 8.429 -2.698 -1.304 1.00 0.00 N ATOM 1603 CA ASN A 106 8.246 -1.394 -1.918 1.00 0.00 C ATOM 1604 C ASN A 106 7.132 -0.642 -1.186 1.00 0.00 C ATOM 1605 O ASN A 106 5.981 -1.075 -1.187 1.00 0.00 O ATOM 1606 CB ASN A 106 7.839 -1.528 -3.386 1.00 0.00 C ATOM 1607 CG ASN A 106 8.964 -1.062 -4.313 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.953 -1.747 -4.524 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.760 0.136 -4.850 1.00 0.00 N ATOM 0 H ASN A 106 7.681 -2.980 -0.670 1.00 0.00 H new ATOM 0 HA ASN A 106 9.192 -0.856 -1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.590 -2.566 -3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.941 -0.939 -3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.453 0.536 -5.482 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.910 0.655 -4.630 1.00 0.00 H new ATOM 1616 N VAL A 107 7.514 0.472 -0.577 1.00 0.00 N ATOM 1617 CA VAL A 107 6.563 1.287 0.157 1.00 0.00 C ATOM 1618 C VAL A 107 6.675 2.740 -0.311 1.00 0.00 C ATOM 1619 O VAL A 107 7.764 3.310 -0.323 1.00 0.00 O ATOM 1620 CB VAL A 107 6.786 1.125 1.662 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.193 1.576 2.058 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.723 1.884 2.459 1.00 0.00 C ATOM 0 H VAL A 107 8.470 0.828 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 107 5.543 0.958 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 107 6.692 0.066 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.326 1.451 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.931 0.973 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.326 2.626 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.905 1.752 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.771 2.944 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.735 1.497 2.209 1.00 0.00 H new ATOM 1632 N LEU A 108 5.532 3.297 -0.686 1.00 0.00 N ATOM 1633 CA LEU A 108 5.488 4.671 -1.154 1.00 0.00 C ATOM 1634 C LEU A 108 4.521 5.473 -0.279 1.00 0.00 C ATOM 1635 O LEU A 108 3.538 4.930 0.222 1.00 0.00 O ATOM 1636 CB LEU A 108 5.150 4.720 -2.646 1.00 0.00 C ATOM 1637 CG LEU A 108 6.291 4.365 -3.603 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.599 5.024 -3.163 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.433 2.849 -3.749 1.00 0.00 C ATOM 0 H LEU A 108 4.630 2.821 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 108 6.469 5.137 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.320 4.039 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.799 5.724 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 108 6.046 4.761 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.394 4.756 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.475 6.107 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.862 4.679 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.250 2.624 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.644 2.408 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.505 2.433 -4.142 1.00 0.00 H new ATOM 1651 N ALA A 109 4.836 6.750 -0.122 1.00 0.00 N ATOM 1652 CA ALA A 109 4.008 7.631 0.683 1.00 0.00 C ATOM 1653 C ALA A 109 3.200 8.548 -0.237 1.00 0.00 C ATOM 1654 O ALA A 109 3.413 8.561 -1.449 1.00 0.00 O ATOM 1655 CB ALA A 109 4.892 8.414 1.657 1.00 0.00 C ATOM 0 H ALA A 109 5.653 7.196 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 109 3.299 7.054 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.271 9.075 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.421 7.718 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.614 9.007 1.096 1.00 0.00 H new ATOM 1661 N LYS A 110 2.290 9.293 0.372 1.00 0.00 N ATOM 1662 CA LYS A 110 1.450 10.211 -0.378 1.00 0.00 C ATOM 1663 C LYS A 110 1.438 11.571 0.321 1.00 0.00 C ATOM 1664 O LYS A 110 0.395 12.020 0.796 1.00 0.00 O ATOM 1665 CB LYS A 110 0.056 9.613 -0.585 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.406 9.788 -2.033 1.00 0.00 C ATOM 1667 CD LYS A 110 -0.276 11.246 -2.477 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.468 12.075 -1.995 1.00 0.00 C ATOM 1669 NZ LYS A 110 -1.829 13.099 -3.002 1.00 0.00 N ATOM 0 H LYS A 110 2.116 9.280 1.377 1.00 0.00 H new ATOM 0 HA LYS A 110 1.856 10.370 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.069 8.554 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.654 10.094 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.188 9.150 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.443 9.466 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.648 11.669 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.211 11.294 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.321 11.422 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.224 12.557 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.640 13.653 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.019 13.732 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.082 12.632 -3.896 1.00 0.00 H new ATOM 1683 N PRO A 111 2.639 12.207 0.362 1.00 0.00 N ATOM 1684 CA PRO A 111 2.776 13.508 0.994 1.00 0.00 C ATOM 1685 C PRO A 111 2.184 14.610 0.115 1.00 0.00 C ATOM 1686 O PRO A 111 1.373 14.337 -0.769 1.00 0.00 O ATOM 1687 CB PRO A 111 4.268 13.674 1.232 1.00 0.00 C ATOM 1688 CG PRO A 111 4.951 12.677 0.310 1.00 0.00 C ATOM 1689 CD PRO A 111 3.894 11.706 -0.191 1.00 0.00 C ATOM 0 HA PRO A 111 2.226 13.580 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.588 14.692 1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.521 13.479 2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.423 13.192 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.739 12.143 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.864 11.680 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.098 10.690 0.147 1.00 0.00 H new ATOM 1697 N PHE A 112 2.612 15.835 0.387 1.00 0.00 N ATOM 1698 CA PHE A 112 2.135 16.980 -0.369 1.00 0.00 C ATOM 1699 C PHE A 112 3.117 17.352 -1.480 1.00 0.00 C ATOM 1700 O PHE A 112 3.095 18.474 -1.984 1.00 0.00 O ATOM 1701 CB PHE A 112 2.025 18.149 0.613 1.00 0.00 C ATOM 1702 CG PHE A 112 0.612 18.380 1.150 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.332 18.955 0.357 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.299 18.011 2.421 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.643 19.170 0.856 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.013 18.225 2.920 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.957 18.801 2.127 1.00 0.00 C ATOM 0 H PHE A 112 3.284 16.059 1.121 1.00 0.00 H new ATOM 0 HA PHE A 112 1.177 16.747 -0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.697 17.969 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.368 19.058 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.084 19.248 -0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.049 17.555 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.392 19.627 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.262 17.931 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.955 18.965 2.506 1.00 0.00 H new ATOM 1717 N THR A 113 3.958 16.390 -1.830 1.00 0.00 N ATOM 1718 CA THR A 113 4.948 16.602 -2.872 1.00 0.00 C ATOM 1719 C THR A 113 4.748 15.599 -4.010 1.00 0.00 C ATOM 1720 O THR A 113 5.224 14.468 -3.936 1.00 0.00 O ATOM 1721 CB THR A 113 6.334 16.525 -2.231 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.210 16.269 -3.326 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.496 15.299 -1.330 1.00 0.00 C ATOM 0 H THR A 113 3.974 15.461 -1.410 1.00 0.00 H new ATOM 0 HA THR A 113 4.839 17.587 -3.326 1.00 0.00 H new ATOM 0 HB THR A 113 6.515 17.429 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.132 16.206 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.498 15.293 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.758 15.336 -0.529 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.348 14.393 -1.918 1.00 0.00 H new ATOM 1731 N ILE A 114 4.042 16.050 -5.037 1.00 0.00 N ATOM 1732 CA ILE A 114 3.773 15.207 -6.189 1.00 0.00 C ATOM 1733 C ILE A 114 5.085 14.597 -6.686 1.00 0.00 C ATOM 1734 O ILE A 114 5.089 13.512 -7.266 1.00 0.00 O ATOM 1735 CB ILE A 114 3.013 15.990 -7.261 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.853 17.156 -7.785 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.651 16.452 -6.741 1.00 0.00 C ATOM 1738 CD1 ILE A 114 4.242 16.939 -9.249 1.00 0.00 C ATOM 0 H ILE A 114 3.648 16.989 -5.095 1.00 0.00 H new ATOM 0 HA ILE A 114 3.121 14.379 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 114 2.826 15.324 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.292 18.085 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.752 17.262 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.132 17.006 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.057 15.584 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.792 17.096 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.839 17.783 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.824 16.022 -9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 114 3.341 16.858 -9.857 1.00 0.00 H new ATOM 1750 N GLU A 115 6.167 15.319 -6.439 1.00 0.00 N ATOM 1751 CA GLU A 115 7.483 14.863 -6.855 1.00 0.00 C ATOM 1752 C GLU A 115 7.855 13.573 -6.120 1.00 0.00 C ATOM 1753 O GLU A 115 8.412 12.653 -6.716 1.00 0.00 O ATOM 1754 CB GLU A 115 8.538 15.947 -6.626 1.00 0.00 C ATOM 1755 CG GLU A 115 8.708 16.818 -7.872 1.00 0.00 C ATOM 1756 CD GLU A 115 10.029 17.590 -7.826 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.030 18.675 -7.207 1.00 0.00 O ATOM 1758 OE2 GLU A 115 11.006 17.076 -8.411 1.00 0.00 O ATOM 0 H GLU A 115 6.160 16.217 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 115 7.451 14.654 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.247 16.569 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.491 15.484 -6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.679 16.192 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.876 17.518 -7.947 1.00 0.00 H new ATOM 1765 N LYS A 116 7.530 13.548 -4.836 1.00 0.00 N ATOM 1766 CA LYS A 116 7.822 12.386 -4.013 1.00 0.00 C ATOM 1767 C LYS A 116 6.828 11.271 -4.341 1.00 0.00 C ATOM 1768 O LYS A 116 7.226 10.171 -4.720 1.00 0.00 O ATOM 1769 CB LYS A 116 7.849 12.771 -2.532 1.00 0.00 C ATOM 1770 CG LYS A 116 8.947 12.010 -1.787 1.00 0.00 C ATOM 1771 CD LYS A 116 8.571 10.538 -1.611 1.00 0.00 C ATOM 1772 CE LYS A 116 9.788 9.706 -1.201 1.00 0.00 C ATOM 1773 NZ LYS A 116 10.151 8.754 -2.276 1.00 0.00 N ATOM 0 H LYS A 116 7.068 14.313 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 116 8.817 12.002 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.015 13.844 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.881 12.556 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.885 12.086 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.112 12.466 -0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.792 10.446 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.158 10.151 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.631 10.364 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.571 9.161 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.979 8.197 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.351 8.115 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.379 9.280 -3.144 1.00 0.00 H new ATOM 1787 N MET A 117 5.553 11.594 -4.181 1.00 0.00 N ATOM 1788 CA MET A 117 4.497 10.633 -4.456 1.00 0.00 C ATOM 1789 C MET A 117 4.613 10.084 -5.878 1.00 0.00 C ATOM 1790 O MET A 117 4.673 8.871 -6.077 1.00 0.00 O ATOM 1791 CB MET A 117 3.135 11.305 -4.276 1.00 0.00 C ATOM 1792 CG MET A 117 2.004 10.389 -4.750 1.00 0.00 C ATOM 1793 SD MET A 117 1.049 11.205 -6.016 1.00 0.00 S ATOM 1794 CE MET A 117 0.013 9.850 -6.544 1.00 0.00 C ATOM 0 H MET A 117 5.227 12.507 -3.865 1.00 0.00 H new ATOM 0 HA MET A 117 4.596 9.802 -3.757 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.987 11.559 -3.226 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.110 12.240 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.417 9.458 -5.138 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.361 10.127 -3.910 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.326 10.028 -7.564 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.582 8.921 -6.508 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.850 9.773 -5.883 1.00 0.00 H new ATOM 1804 N LYS A 118 4.640 11.002 -6.833 1.00 0.00 N ATOM 1805 CA LYS A 118 4.747 10.625 -8.232 1.00 0.00 C ATOM 1806 C LYS A 118 6.000 9.772 -8.432 1.00 0.00 C ATOM 1807 O LYS A 118 5.915 8.633 -8.888 1.00 0.00 O ATOM 1808 CB LYS A 118 4.698 11.867 -9.127 1.00 0.00 C ATOM 1809 CG LYS A 118 4.429 11.482 -10.582 1.00 0.00 C ATOM 1810 CD LYS A 118 4.237 12.726 -11.451 1.00 0.00 C ATOM 1811 CE LYS A 118 2.835 13.309 -11.271 1.00 0.00 C ATOM 1812 NZ LYS A 118 1.915 12.774 -12.300 1.00 0.00 N ATOM 0 H LYS A 118 4.590 12.007 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 118 3.895 10.013 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.918 12.543 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.642 12.407 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.261 10.891 -10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.540 10.854 -10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.983 13.476 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.397 12.470 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.459 13.067 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.875 14.396 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 0.967 13.180 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.267 13.027 -13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 1.864 11.739 -12.215 1.00 0.00 H new ATOM 1826 N ALA A 119 7.137 10.356 -8.081 1.00 0.00 N ATOM 1827 CA ALA A 119 8.407 9.663 -8.215 1.00 0.00 C ATOM 1828 C ALA A 119 8.343 8.337 -7.455 1.00 0.00 C ATOM 1829 O ALA A 119 8.925 7.342 -7.886 1.00 0.00 O ATOM 1830 CB ALA A 119 9.537 10.568 -7.717 1.00 0.00 C ATOM 0 H ALA A 119 7.205 11.301 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 119 8.610 9.433 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.490 10.049 -7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.558 11.483 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.368 10.818 -6.669 1.00 0.00 H new ATOM 1836 N ALA A 120 7.632 8.365 -6.338 1.00 0.00 N ATOM 1837 CA ALA A 120 7.484 7.179 -5.514 1.00 0.00 C ATOM 1838 C ALA A 120 6.830 6.068 -6.339 1.00 0.00 C ATOM 1839 O ALA A 120 7.382 4.977 -6.465 1.00 0.00 O ATOM 1840 CB ALA A 120 6.678 7.523 -4.259 1.00 0.00 C ATOM 0 H ALA A 120 7.151 9.192 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 120 8.459 6.818 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.568 6.631 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.199 8.295 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.693 7.888 -4.548 1.00 0.00 H new ATOM 1846 N ILE A 121 5.663 6.385 -6.880 1.00 0.00 N ATOM 1847 CA ILE A 121 4.927 5.429 -7.689 1.00 0.00 C ATOM 1848 C ILE A 121 5.808 4.971 -8.854 1.00 0.00 C ATOM 1849 O ILE A 121 5.837 3.787 -9.186 1.00 0.00 O ATOM 1850 CB ILE A 121 3.585 6.017 -8.127 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.655 6.533 -9.567 1.00 0.00 C ATOM 1852 CG2 ILE A 121 3.117 7.100 -7.153 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.278 6.984 -10.056 1.00 0.00 C ATOM 0 H ILE A 121 5.209 7.292 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 121 4.683 4.542 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 121 2.841 5.221 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.356 7.366 -9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.038 5.748 -10.220 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.161 7.502 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 121 3.002 6.670 -6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.855 7.902 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.356 7.346 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.586 6.143 -10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.909 7.785 -9.416 1.00 0.00 H new ATOM 1865 N GLU A 122 6.504 5.932 -9.443 1.00 0.00 N ATOM 1866 CA GLU A 122 7.382 5.642 -10.563 1.00 0.00 C ATOM 1867 C GLU A 122 8.399 4.566 -10.175 1.00 0.00 C ATOM 1868 O GLU A 122 8.978 3.913 -11.043 1.00 0.00 O ATOM 1869 CB GLU A 122 8.084 6.910 -11.051 1.00 0.00 C ATOM 1870 CG GLU A 122 7.082 7.891 -11.663 1.00 0.00 C ATOM 1871 CD GLU A 122 7.707 8.659 -12.829 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.321 7.987 -13.686 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.557 9.900 -12.838 1.00 0.00 O ATOM 0 H GLU A 122 6.477 6.913 -9.165 1.00 0.00 H new ATOM 0 HA GLU A 122 6.777 5.262 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.602 7.386 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.841 6.649 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 122 6.203 7.349 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.743 8.593 -10.901 1.00 0.00 H new ATOM 1880 N ALA A 123 8.586 4.417 -8.872 1.00 0.00 N ATOM 1881 CA ALA A 123 9.524 3.432 -8.360 1.00 0.00 C ATOM 1882 C ALA A 123 8.807 2.091 -8.193 1.00 0.00 C ATOM 1883 O ALA A 123 9.305 1.057 -8.637 1.00 0.00 O ATOM 1884 CB ALA A 123 10.128 3.937 -7.047 1.00 0.00 C ATOM 0 H ALA A 123 8.105 4.961 -8.156 1.00 0.00 H new ATOM 0 HA ALA A 123 10.345 3.283 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.832 3.199 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.650 4.877 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.333 4.095 -6.318 1.00 0.00 H new ATOM 1890 N VAL A 124 7.649 2.149 -7.551 1.00 0.00 N ATOM 1891 CA VAL A 124 6.859 0.952 -7.321 1.00 0.00 C ATOM 1892 C VAL A 124 6.479 0.330 -8.666 1.00 0.00 C ATOM 1893 O VAL A 124 6.363 -0.889 -8.780 1.00 0.00 O ATOM 1894 CB VAL A 124 5.645 1.285 -6.453 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.380 1.414 -7.305 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.458 0.243 -5.348 1.00 0.00 C ATOM 0 H VAL A 124 7.239 3.007 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 124 7.441 0.211 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 124 5.828 2.248 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.532 1.651 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.514 2.210 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.192 0.473 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.588 0.504 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.308 -0.739 -5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.345 0.221 -4.714 1.00 0.00 H new ATOM 1906 N PHE A 125 6.297 1.196 -9.652 1.00 0.00 N ATOM 1907 CA PHE A 125 5.932 0.747 -10.985 1.00 0.00 C ATOM 1908 C PHE A 125 7.177 0.448 -11.822 1.00 0.00 C ATOM 1909 O PHE A 125 7.080 -0.140 -12.898 1.00 0.00 O ATOM 1910 CB PHE A 125 5.152 1.887 -11.644 1.00 0.00 C ATOM 1911 CG PHE A 125 3.878 2.284 -10.893 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.361 1.455 -9.948 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.265 3.464 -11.172 1.00 0.00 C ATOM 1914 CE1 PHE A 125 2.178 1.823 -9.252 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.083 3.833 -10.476 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.565 3.004 -9.531 1.00 0.00 C ATOM 0 H PHE A 125 6.395 2.207 -9.554 1.00 0.00 H new ATOM 0 HA PHE A 125 5.341 -0.167 -10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.801 2.759 -11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.886 1.593 -12.659 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.849 0.517 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.677 4.122 -11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.766 1.165 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.596 4.771 -10.697 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.666 3.284 -9.002 1.00 0.00 H new