USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 769 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 99 GLN : amide:sc= -2.08! K(o=-0.86!,f=0.53) USER MOD Set 1.2: A 103 SER OG : rot 62:sc= 1.22 USER MOD Set 2.1: A 27 GLN : amide:sc= 1.56 K(o=-3.8,f=-1.2) USER MOD Set 2.2: A 95 GLN : amide:sc= -5.37! C(o=-3.8!,f=-1.2!) USER MOD Single : A 3 SER OG : rot 38:sc= 0.638 USER MOD Single : A 7 MET CE :methyl -157:sc= -1.08 (180deg=-1.65!) USER MOD Single : A 11 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 13 MET CE :methyl -159:sc= 0 (180deg=-0.0596) USER MOD Single : A 14 MET CE :methyl -161:sc= -0.922 (180deg=-1.57) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 19 GLN : amide:sc= -3.12 K(o=-3.1,f=-3.8!) USER MOD Single : A 20 MET CE :methyl -121:sc= -0.562 (180deg=-1.37) USER MOD Single : A 26 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.24) USER MOD Single : A 31 SER OG : rot 32:sc= 0.35 USER MOD Single : A 32 ASN : amide:sc= 0.439 X(o=0.44,f=-0.004) USER MOD Single : A 57 SER OG : rot 180:sc= -0.185 USER MOD Single : A 63 GLN : amide:sc= -2.17! K(o=-2.2!,f=-1) USER MOD Single : A 68 CYS SG : rot 65:sc= -0.233 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0.782 (180deg=0.728) USER MOD Single : A 72 HIS : no HD1:sc= 0.46 K(o=0.46,f=-6.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 12:sc= 1.26 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0351 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.4) USER MOD Single : A 98 SER OG : rot -86:sc= 0.173 USER MOD Single : A 106 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.14) USER MOD Single : A 112 MET CE :methyl 143:sc= -0.532 (180deg=-3.04!) USER MOD Single : A 113 LYS NZ :NH3+ -117:sc= 1.02 (180deg=0.643) USER MOD Single : A 114 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.6) USER MOD Single : A 119 HIS : no HD1:sc= -1.38! C(o=-1.4!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.559 3.216 -3.978 1.00 0.00 N ATOM 38 CA SER A 3 -22.651 3.185 -2.549 1.00 0.00 C ATOM 39 C SER A 3 -21.359 3.754 -1.976 1.00 0.00 C ATOM 40 O SER A 3 -20.324 3.733 -2.653 1.00 0.00 O ATOM 41 CB SER A 3 -22.843 1.743 -2.084 1.00 0.00 C ATOM 42 OG SER A 3 -23.572 0.996 -3.049 1.00 0.00 O ATOM 0 HA SER A 3 -23.500 3.777 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.872 1.278 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.373 1.730 -1.131 1.00 0.00 H new ATOM 0 HG SER A 3 -23.294 1.265 -3.949 1.00 0.00 H new ATOM 48 N PRO A 4 -21.389 4.289 -0.741 1.00 0.00 N ATOM 49 CA PRO A 4 -20.190 4.835 -0.089 1.00 0.00 C ATOM 50 C PRO A 4 -19.031 3.841 -0.105 1.00 0.00 C ATOM 51 O PRO A 4 -17.865 4.228 -0.130 1.00 0.00 O ATOM 52 CB PRO A 4 -20.654 5.089 1.346 1.00 0.00 C ATOM 53 CG PRO A 4 -22.120 5.316 1.227 1.00 0.00 C ATOM 54 CD PRO A 4 -22.588 4.429 0.107 1.00 0.00 C ATOM 0 HA PRO A 4 -19.815 5.726 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.435 4.238 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.152 5.954 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.630 5.070 2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.336 6.362 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.934 3.464 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.417 4.877 -0.440 1.00 0.00 H new ATOM 62 N ALA A 5 -19.377 2.558 -0.123 1.00 0.00 N ATOM 63 CA ALA A 5 -18.403 1.486 -0.126 1.00 0.00 C ATOM 64 C ALA A 5 -17.524 1.513 -1.375 1.00 0.00 C ATOM 65 O ALA A 5 -16.325 1.251 -1.292 1.00 0.00 O ATOM 66 CB ALA A 5 -19.104 0.143 -0.004 1.00 0.00 C ATOM 0 H ALA A 5 -20.345 2.237 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.750 1.633 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.363 -0.656 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.668 0.111 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.784 0.010 -0.845 1.00 0.00 H new ATOM 72 N GLU A 6 -18.104 1.859 -2.531 1.00 0.00 N ATOM 73 CA GLU A 6 -17.350 1.861 -3.780 1.00 0.00 C ATOM 74 C GLU A 6 -16.209 2.867 -3.737 1.00 0.00 C ATOM 75 O GLU A 6 -15.069 2.551 -4.103 1.00 0.00 O ATOM 76 CB GLU A 6 -18.260 2.122 -4.994 1.00 0.00 C ATOM 77 CG GLU A 6 -19.123 0.927 -5.414 1.00 0.00 C ATOM 78 CD GLU A 6 -20.427 0.811 -4.643 1.00 0.00 C ATOM 79 OE1 GLU A 6 -21.506 1.037 -5.255 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.390 0.500 -3.446 1.00 0.00 O ATOM 0 H GLU A 6 -19.081 2.137 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.920 0.866 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.914 2.964 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.639 2.420 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.347 1.008 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.549 0.011 -5.278 1.00 0.00 H new ATOM 87 N MET A 7 -16.519 4.074 -3.312 1.00 0.00 N ATOM 88 CA MET A 7 -15.503 5.111 -3.160 1.00 0.00 C ATOM 89 C MET A 7 -14.431 4.692 -2.156 1.00 0.00 C ATOM 90 O MET A 7 -13.245 4.988 -2.346 1.00 0.00 O ATOM 91 CB MET A 7 -16.121 6.460 -2.766 1.00 0.00 C ATOM 92 CG MET A 7 -16.806 7.190 -3.922 1.00 0.00 C ATOM 93 SD MET A 7 -18.339 6.402 -4.462 1.00 0.00 S ATOM 94 CE MET A 7 -19.431 6.832 -3.110 1.00 0.00 C ATOM 0 H MET A 7 -17.464 4.367 -3.064 1.00 0.00 H new ATOM 0 HA MET A 7 -15.027 5.238 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.848 6.297 -1.971 1.00 0.00 H new ATOM 0 HB3 MET A 7 -15.340 7.101 -2.357 1.00 0.00 H new ATOM 0 HG2 MET A 7 -17.021 8.215 -3.618 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.118 7.245 -4.766 1.00 0.00 H new ATOM 0 HE1 MET A 7 -20.255 6.120 -3.067 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.877 6.803 -2.172 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.827 7.835 -3.267 1.00 0.00 H new ATOM 104 N VAL A 8 -14.843 4.005 -1.089 1.00 0.00 N ATOM 105 CA VAL A 8 -13.898 3.493 -0.097 1.00 0.00 C ATOM 106 C VAL A 8 -12.862 2.579 -0.760 1.00 0.00 C ATOM 107 O VAL A 8 -11.660 2.755 -0.559 1.00 0.00 O ATOM 108 CB VAL A 8 -14.619 2.727 1.048 1.00 0.00 C ATOM 109 CG1 VAL A 8 -13.614 2.087 1.995 1.00 0.00 C ATOM 110 CG2 VAL A 8 -15.538 3.662 1.818 1.00 0.00 C ATOM 0 H VAL A 8 -15.820 3.791 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.392 4.354 0.339 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.217 1.936 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.145 1.558 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.991 1.383 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.985 2.861 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.034 3.109 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.952 4.474 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.287 4.074 1.142 1.00 0.00 H new ATOM 120 N LEU A 9 -13.337 1.629 -1.576 1.00 0.00 N ATOM 121 CA LEU A 9 -12.447 0.704 -2.289 1.00 0.00 C ATOM 122 C LEU A 9 -11.384 1.458 -3.067 1.00 0.00 C ATOM 123 O LEU A 9 -10.202 1.172 -2.948 1.00 0.00 O ATOM 124 CB LEU A 9 -13.230 -0.192 -3.257 1.00 0.00 C ATOM 125 CG LEU A 9 -13.698 -1.541 -2.713 1.00 0.00 C ATOM 126 CD1 LEU A 9 -14.858 -1.377 -1.752 1.00 0.00 C ATOM 127 CD2 LEU A 9 -14.074 -2.463 -3.856 1.00 0.00 C ATOM 0 H LEU A 9 -14.330 1.481 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.969 0.081 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.106 0.360 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.606 -0.375 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.873 -1.988 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.166 -2.355 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.550 -0.754 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.694 -0.904 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.406 -3.421 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.880 -2.013 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.207 -2.618 -4.498 1.00 0.00 H new ATOM 139 N GLU A 10 -11.818 2.437 -3.846 1.00 0.00 N ATOM 140 CA GLU A 10 -10.925 3.230 -4.664 1.00 0.00 C ATOM 141 C GLU A 10 -9.887 3.921 -3.804 1.00 0.00 C ATOM 142 O GLU A 10 -8.734 3.995 -4.170 1.00 0.00 O ATOM 143 CB GLU A 10 -11.725 4.263 -5.478 1.00 0.00 C ATOM 144 CG GLU A 10 -10.867 5.158 -6.363 1.00 0.00 C ATOM 145 CD GLU A 10 -11.686 6.097 -7.222 1.00 0.00 C ATOM 146 OE1 GLU A 10 -11.970 7.233 -6.778 1.00 0.00 O ATOM 147 OE2 GLU A 10 -12.051 5.707 -8.355 1.00 0.00 O ATOM 0 H GLU A 10 -12.800 2.701 -3.926 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.408 2.566 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.447 3.737 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.295 4.889 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.193 5.742 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.245 4.535 -7.006 1.00 0.00 H new ATOM 154 N THR A 11 -10.301 4.386 -2.644 1.00 0.00 N ATOM 155 CA THR A 11 -9.405 5.087 -1.746 1.00 0.00 C ATOM 156 C THR A 11 -8.277 4.162 -1.263 1.00 0.00 C ATOM 157 O THR A 11 -7.091 4.519 -1.311 1.00 0.00 O ATOM 158 CB THR A 11 -10.173 5.652 -0.537 1.00 0.00 C ATOM 159 OG1 THR A 11 -11.331 6.373 -0.997 1.00 0.00 O ATOM 160 CG2 THR A 11 -9.291 6.590 0.272 1.00 0.00 C ATOM 0 H THR A 11 -11.256 4.291 -2.299 1.00 0.00 H new ATOM 0 HA THR A 11 -8.963 5.916 -2.299 1.00 0.00 H new ATOM 0 HB THR A 11 -10.477 4.820 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.004 5.739 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.854 6.977 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.418 6.047 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.968 7.419 -0.358 1.00 0.00 H new ATOM 168 N LEU A 12 -8.647 2.958 -0.860 1.00 0.00 N ATOM 169 CA LEU A 12 -7.677 1.995 -0.354 1.00 0.00 C ATOM 170 C LEU A 12 -6.846 1.434 -1.489 1.00 0.00 C ATOM 171 O LEU A 12 -5.634 1.275 -1.368 1.00 0.00 O ATOM 172 CB LEU A 12 -8.362 0.850 0.407 1.00 0.00 C ATOM 173 CG LEU A 12 -8.765 1.139 1.859 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.911 2.130 1.929 1.00 0.00 C ATOM 175 CD2 LEU A 12 -9.131 -0.148 2.573 1.00 0.00 C ATOM 0 H LEU A 12 -9.610 2.622 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.025 2.522 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.257 0.561 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.693 -0.011 0.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.907 1.587 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.171 2.312 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.611 3.067 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.776 1.724 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.414 0.075 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.968 -0.623 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.274 -0.822 2.570 1.00 0.00 H new ATOM 187 N MET A 13 -7.499 1.176 -2.606 1.00 0.00 N ATOM 188 CA MET A 13 -6.851 0.606 -3.772 1.00 0.00 C ATOM 189 C MET A 13 -6.000 1.623 -4.498 1.00 0.00 C ATOM 190 O MET A 13 -5.179 1.270 -5.324 1.00 0.00 O ATOM 191 CB MET A 13 -7.859 -0.059 -4.711 1.00 0.00 C ATOM 192 CG MET A 13 -8.150 -1.506 -4.337 1.00 0.00 C ATOM 193 SD MET A 13 -8.728 -1.688 -2.636 1.00 0.00 S ATOM 194 CE MET A 13 -8.308 -3.395 -2.320 1.00 0.00 C ATOM 0 H MET A 13 -8.495 1.356 -2.731 1.00 0.00 H new ATOM 0 HA MET A 13 -6.180 -0.174 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.789 0.509 -4.698 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.477 -0.022 -5.731 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.902 -1.908 -5.016 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.247 -2.100 -4.474 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.909 -3.770 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.507 -3.990 -3.211 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.251 -3.468 -2.064 1.00 0.00 H new ATOM 204 N MET A 14 -6.174 2.879 -4.167 1.00 0.00 N ATOM 205 CA MET A 14 -5.371 3.924 -4.792 1.00 0.00 C ATOM 206 C MET A 14 -4.064 4.043 -4.061 1.00 0.00 C ATOM 207 O MET A 14 -3.003 4.166 -4.678 1.00 0.00 O ATOM 208 CB MET A 14 -6.070 5.284 -4.815 1.00 0.00 C ATOM 209 CG MET A 14 -6.962 5.500 -6.023 1.00 0.00 C ATOM 210 SD MET A 14 -7.531 7.211 -6.170 1.00 0.00 S ATOM 211 CE MET A 14 -8.295 7.465 -4.566 1.00 0.00 C ATOM 0 H MET A 14 -6.852 3.209 -3.480 1.00 0.00 H new ATOM 0 HA MET A 14 -5.212 3.633 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 14 -6.669 5.388 -3.911 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.315 6.069 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 14 -6.418 5.223 -6.926 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.826 4.838 -5.955 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.971 8.318 -4.616 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.856 6.574 -4.285 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.523 7.658 -3.821 1.00 0.00 H new ATOM 221 N GLU A 15 -4.128 3.978 -2.737 1.00 0.00 N ATOM 222 CA GLU A 15 -2.940 4.069 -1.937 1.00 0.00 C ATOM 223 C GLU A 15 -2.171 2.781 -2.025 1.00 0.00 C ATOM 224 O GLU A 15 -0.962 2.789 -2.208 1.00 0.00 O ATOM 225 CB GLU A 15 -3.277 4.421 -0.491 1.00 0.00 C ATOM 226 CG GLU A 15 -3.915 5.792 -0.342 1.00 0.00 C ATOM 227 CD GLU A 15 -3.046 6.896 -0.914 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.252 7.485 -0.156 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.142 7.168 -2.130 1.00 0.00 O ATOM 0 H GLU A 15 -4.992 3.863 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.314 4.873 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.953 3.667 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.366 4.384 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.882 5.797 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.103 5.990 0.713 1.00 0.00 H new ATOM 236 N LEU A 16 -2.886 1.674 -1.929 1.00 0.00 N ATOM 237 CA LEU A 16 -2.281 0.365 -2.058 1.00 0.00 C ATOM 238 C LEU A 16 -1.530 0.253 -3.376 1.00 0.00 C ATOM 239 O LEU A 16 -0.395 -0.188 -3.412 1.00 0.00 O ATOM 240 CB LEU A 16 -3.355 -0.721 -1.976 1.00 0.00 C ATOM 241 CG LEU A 16 -2.863 -2.161 -2.144 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.907 -2.540 -1.024 1.00 0.00 C ATOM 243 CD2 LEU A 16 -4.039 -3.123 -2.197 1.00 0.00 C ATOM 0 H LEU A 16 -3.892 1.659 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.573 0.229 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.855 -0.638 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.105 -0.522 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.321 -2.229 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.571 -3.567 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.046 -1.871 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.418 -2.453 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.671 -4.142 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.611 -3.050 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.680 -2.868 -3.041 1.00 0.00 H new ATOM 255 N THR A 17 -2.169 0.682 -4.447 1.00 0.00 N ATOM 256 CA THR A 17 -1.560 0.598 -5.772 1.00 0.00 C ATOM 257 C THR A 17 -0.376 1.559 -5.925 1.00 0.00 C ATOM 258 O THR A 17 0.715 1.145 -6.322 1.00 0.00 O ATOM 259 CB THR A 17 -2.579 0.842 -6.896 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.624 -0.131 -6.807 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.921 0.743 -8.268 1.00 0.00 C ATOM 0 H THR A 17 -3.104 1.091 -4.433 1.00 0.00 H new ATOM 0 HA THR A 17 -1.188 -0.422 -5.864 1.00 0.00 H new ATOM 0 HB THR A 17 -2.984 1.847 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.242 0.117 -6.088 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.667 0.920 -9.043 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.131 1.490 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.494 -0.252 -8.396 1.00 0.00 H new ATOM 269 N GLY A 18 -0.592 2.829 -5.599 1.00 0.00 N ATOM 270 CA GLY A 18 0.442 3.825 -5.731 1.00 0.00 C ATOM 271 C GLY A 18 1.654 3.510 -4.906 1.00 0.00 C ATOM 272 O GLY A 18 2.775 3.791 -5.313 1.00 0.00 O ATOM 0 H GLY A 18 -1.479 3.184 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.731 3.907 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.046 4.796 -5.433 1.00 0.00 H new ATOM 276 N GLN A 19 1.440 2.894 -3.763 1.00 0.00 N ATOM 277 CA GLN A 19 2.529 2.562 -2.892 1.00 0.00 C ATOM 278 C GLN A 19 3.139 1.242 -3.288 1.00 0.00 C ATOM 279 O GLN A 19 4.316 1.041 -3.109 1.00 0.00 O ATOM 280 CB GLN A 19 2.097 2.544 -1.430 1.00 0.00 C ATOM 281 CG GLN A 19 1.620 3.893 -0.910 1.00 0.00 C ATOM 282 CD GLN A 19 1.208 3.832 0.543 1.00 0.00 C ATOM 283 OE1 GLN A 19 0.777 2.803 1.028 1.00 0.00 O ATOM 284 NE2 GLN A 19 1.324 4.940 1.239 1.00 0.00 N ATOM 0 H GLN A 19 0.520 2.616 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 19 3.286 3.340 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.296 1.815 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.933 2.205 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.416 4.628 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.777 4.235 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.690 5.784 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.048 4.957 2.221 1.00 0.00 H new ATOM 293 N MET A 20 2.328 0.344 -3.836 1.00 0.00 N ATOM 294 CA MET A 20 2.828 -0.942 -4.309 1.00 0.00 C ATOM 295 C MET A 20 3.733 -0.706 -5.490 1.00 0.00 C ATOM 296 O MET A 20 4.828 -1.253 -5.580 1.00 0.00 O ATOM 297 CB MET A 20 1.668 -1.852 -4.727 1.00 0.00 C ATOM 298 CG MET A 20 2.054 -3.311 -4.912 1.00 0.00 C ATOM 299 SD MET A 20 2.380 -4.148 -3.345 1.00 0.00 S ATOM 300 CE MET A 20 0.755 -4.131 -2.603 1.00 0.00 C ATOM 0 H MET A 20 1.325 0.482 -3.963 1.00 0.00 H new ATOM 0 HA MET A 20 3.377 -1.431 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.882 -1.789 -3.974 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.246 -1.478 -5.660 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.253 -3.831 -5.437 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.941 -3.371 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.796 -3.603 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.056 -3.625 -3.269 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.420 -5.155 -2.436 1.00 0.00 H new ATOM 310 N ARG A 21 3.267 0.149 -6.375 1.00 0.00 N ATOM 311 CA ARG A 21 3.998 0.506 -7.570 1.00 0.00 C ATOM 312 C ARG A 21 5.301 1.198 -7.188 1.00 0.00 C ATOM 313 O ARG A 21 6.385 0.801 -7.637 1.00 0.00 O ATOM 314 CB ARG A 21 3.149 1.428 -8.451 1.00 0.00 C ATOM 315 CG ARG A 21 3.568 1.452 -9.913 1.00 0.00 C ATOM 316 CD ARG A 21 3.287 0.116 -10.588 1.00 0.00 C ATOM 317 NE ARG A 21 3.619 0.139 -12.011 1.00 0.00 N ATOM 318 CZ ARG A 21 3.095 -0.686 -12.923 1.00 0.00 C ATOM 319 NH1 ARG A 21 2.215 -1.620 -12.559 1.00 0.00 N ATOM 320 NH2 ARG A 21 3.456 -0.582 -14.193 1.00 0.00 N ATOM 0 H ARG A 21 2.366 0.618 -6.284 1.00 0.00 H new ATOM 0 HA ARG A 21 4.227 -0.399 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.107 1.114 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.201 2.441 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.033 2.246 -10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.631 1.683 -9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.862 -0.667 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.234 -0.137 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 21 4.297 0.832 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.939 -1.707 -11.581 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.818 -2.247 -13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.133 0.127 -14.474 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.057 -1.211 -14.890 1.00 0.00 H new ATOM 334 N GLU A 22 5.197 2.255 -6.373 1.00 0.00 N ATOM 335 CA GLU A 22 6.394 2.944 -5.891 1.00 0.00 C ATOM 336 C GLU A 22 7.298 2.020 -5.080 1.00 0.00 C ATOM 337 O GLU A 22 8.520 2.120 -5.163 1.00 0.00 O ATOM 338 CB GLU A 22 6.051 4.201 -5.097 1.00 0.00 C ATOM 339 CG GLU A 22 5.375 5.271 -5.933 1.00 0.00 C ATOM 340 CD GLU A 22 5.450 6.638 -5.302 1.00 0.00 C ATOM 341 OE1 GLU A 22 4.607 6.949 -4.448 1.00 0.00 O ATOM 342 OE2 GLU A 22 6.349 7.419 -5.680 1.00 0.00 O ATOM 0 H GLU A 22 4.314 2.643 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 22 6.947 3.254 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.398 3.931 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.964 4.610 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.840 5.304 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.330 5.002 -6.083 1.00 0.00 H new ATOM 349 N ALA A 23 6.701 1.119 -4.304 1.00 0.00 N ATOM 350 CA ALA A 23 7.478 0.145 -3.528 1.00 0.00 C ATOM 351 C ALA A 23 8.393 -0.660 -4.432 1.00 0.00 C ATOM 352 O ALA A 23 9.551 -0.906 -4.094 1.00 0.00 O ATOM 353 CB ALA A 23 6.570 -0.785 -2.748 1.00 0.00 C ATOM 0 H ALA A 23 5.690 1.040 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 23 8.089 0.704 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.175 -1.495 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.957 -0.203 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.924 -1.327 -3.439 1.00 0.00 H new ATOM 359 N GLU A 24 7.870 -1.061 -5.592 1.00 0.00 N ATOM 360 CA GLU A 24 8.668 -1.796 -6.574 1.00 0.00 C ATOM 361 C GLU A 24 9.858 -0.949 -7.004 1.00 0.00 C ATOM 362 O GLU A 24 10.992 -1.418 -7.039 1.00 0.00 O ATOM 363 CB GLU A 24 7.840 -2.130 -7.812 1.00 0.00 C ATOM 364 CG GLU A 24 6.593 -2.942 -7.547 1.00 0.00 C ATOM 365 CD GLU A 24 5.810 -3.192 -8.816 1.00 0.00 C ATOM 366 OE1 GLU A 24 5.133 -2.257 -9.299 1.00 0.00 O ATOM 367 OE2 GLU A 24 5.883 -4.314 -9.353 1.00 0.00 O ATOM 0 H GLU A 24 6.904 -0.891 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 24 9.006 -2.722 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.552 -1.199 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.469 -2.677 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.868 -3.895 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.963 -2.418 -6.828 1.00 0.00 H new ATOM 374 N ARG A 25 9.575 0.312 -7.314 1.00 0.00 N ATOM 375 CA ARG A 25 10.590 1.262 -7.757 1.00 0.00 C ATOM 376 C ARG A 25 11.696 1.416 -6.723 1.00 0.00 C ATOM 377 O ARG A 25 12.881 1.415 -7.063 1.00 0.00 O ATOM 378 CB ARG A 25 9.958 2.621 -8.026 1.00 0.00 C ATOM 379 CG ARG A 25 9.063 2.669 -9.250 1.00 0.00 C ATOM 380 CD ARG A 25 8.368 4.014 -9.354 1.00 0.00 C ATOM 381 NE ARG A 25 9.302 5.126 -9.142 1.00 0.00 N ATOM 382 CZ ARG A 25 9.063 6.165 -8.333 1.00 0.00 C ATOM 383 NH1 ARG A 25 7.884 6.289 -7.747 1.00 0.00 N ATOM 384 NH2 ARG A 25 9.993 7.084 -8.133 1.00 0.00 N ATOM 0 H ARG A 25 8.635 0.705 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 25 11.028 0.872 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.375 2.915 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.751 3.359 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.656 2.490 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.320 1.873 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.906 4.110 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.566 4.067 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 25 10.190 5.106 -9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.157 5.593 -7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.702 7.081 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.898 7.003 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.805 7.874 -7.515 1.00 0.00 H new ATOM 398 N GLN A 26 11.306 1.535 -5.468 1.00 0.00 N ATOM 399 CA GLN A 26 12.263 1.716 -4.393 1.00 0.00 C ATOM 400 C GLN A 26 13.076 0.453 -4.173 1.00 0.00 C ATOM 401 O GLN A 26 14.256 0.516 -3.842 1.00 0.00 O ATOM 402 CB GLN A 26 11.563 2.144 -3.103 1.00 0.00 C ATOM 403 CG GLN A 26 10.738 3.420 -3.246 1.00 0.00 C ATOM 404 CD GLN A 26 11.492 4.529 -3.959 1.00 0.00 C ATOM 405 OE1 GLN A 26 11.415 4.663 -5.182 1.00 0.00 O ATOM 406 NE2 GLN A 26 12.226 5.322 -3.208 1.00 0.00 N ATOM 0 H GLN A 26 10.332 1.510 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 26 12.948 2.512 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.912 1.337 -2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.312 2.292 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.823 3.197 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.439 3.767 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.263 5.178 -2.199 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.758 6.081 -3.635 1.00 0.00 H new ATOM 415 N GLN A 27 12.447 -0.694 -4.376 1.00 0.00 N ATOM 416 CA GLN A 27 13.138 -1.968 -4.248 1.00 0.00 C ATOM 417 C GLN A 27 14.201 -2.092 -5.339 1.00 0.00 C ATOM 418 O GLN A 27 15.287 -2.644 -5.118 1.00 0.00 O ATOM 419 CB GLN A 27 12.147 -3.122 -4.339 1.00 0.00 C ATOM 420 CG GLN A 27 12.780 -4.483 -4.140 1.00 0.00 C ATOM 421 CD GLN A 27 11.779 -5.601 -4.247 1.00 0.00 C ATOM 422 OE1 GLN A 27 11.546 -6.139 -5.332 1.00 0.00 O ATOM 423 NE2 GLN A 27 11.173 -5.950 -3.131 1.00 0.00 N ATOM 0 H GLN A 27 11.462 -0.769 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 27 13.624 -2.010 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.368 -2.980 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.661 -3.096 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.564 -4.628 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.258 -4.519 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.400 -5.475 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.477 -6.695 -3.140 1.00 0.00 H new ATOM 432 N ARG A 28 13.888 -1.557 -6.515 1.00 0.00 N ATOM 433 CA ARG A 28 14.825 -1.552 -7.630 1.00 0.00 C ATOM 434 C ARG A 28 15.993 -0.632 -7.307 1.00 0.00 C ATOM 435 O ARG A 28 17.126 -0.872 -7.717 1.00 0.00 O ATOM 436 CB ARG A 28 14.134 -1.098 -8.918 1.00 0.00 C ATOM 437 CG ARG A 28 12.933 -1.947 -9.310 1.00 0.00 C ATOM 438 CD ARG A 28 13.320 -3.399 -9.541 1.00 0.00 C ATOM 439 NE ARG A 28 14.225 -3.545 -10.676 1.00 0.00 N ATOM 440 CZ ARG A 28 14.543 -4.706 -11.242 1.00 0.00 C ATOM 441 NH1 ARG A 28 14.070 -5.850 -10.745 1.00 0.00 N ATOM 442 NH2 ARG A 28 15.346 -4.726 -12.301 1.00 0.00 N ATOM 0 H ARG A 28 12.989 -1.120 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 28 15.194 -2.566 -7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.811 -0.064 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.859 -1.115 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.178 -1.892 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.482 -1.542 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.795 -3.796 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.422 -3.991 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 28 14.643 -2.698 -11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.461 -5.837 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.317 -6.737 -11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.716 -3.853 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.592 -5.614 -12.738 1.00 0.00 H new ATOM 456 N GLU A 29 15.700 0.417 -6.553 1.00 0.00 N ATOM 457 CA GLU A 29 16.712 1.352 -6.107 1.00 0.00 C ATOM 458 C GLU A 29 17.687 0.650 -5.166 1.00 0.00 C ATOM 459 O GLU A 29 18.898 0.809 -5.287 1.00 0.00 O ATOM 460 CB GLU A 29 16.052 2.540 -5.400 1.00 0.00 C ATOM 461 CG GLU A 29 17.029 3.506 -4.756 1.00 0.00 C ATOM 462 CD GLU A 29 16.330 4.620 -4.016 1.00 0.00 C ATOM 463 OE1 GLU A 29 16.340 5.763 -4.516 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.767 4.358 -2.937 1.00 0.00 O ATOM 0 H GLU A 29 14.757 0.640 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 29 17.263 1.723 -6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.443 3.085 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.375 2.161 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.672 2.962 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.675 3.932 -5.524 1.00 0.00 H new ATOM 471 N ARG A 30 17.139 -0.145 -4.246 1.00 0.00 N ATOM 472 CA ARG A 30 17.940 -0.895 -3.273 1.00 0.00 C ATOM 473 C ARG A 30 18.922 -1.816 -3.984 1.00 0.00 C ATOM 474 O ARG A 30 20.119 -1.807 -3.704 1.00 0.00 O ATOM 475 CB ARG A 30 17.029 -1.743 -2.381 1.00 0.00 C ATOM 476 CG ARG A 30 15.883 -0.980 -1.748 1.00 0.00 C ATOM 477 CD ARG A 30 16.339 -0.100 -0.595 1.00 0.00 C ATOM 478 NE ARG A 30 15.254 0.766 -0.116 1.00 0.00 N ATOM 479 CZ ARG A 30 14.101 0.329 0.412 1.00 0.00 C ATOM 480 NH1 ARG A 30 13.892 -0.970 0.592 1.00 0.00 N ATOM 481 NH2 ARG A 30 13.166 1.197 0.767 1.00 0.00 N ATOM 0 H ARG A 30 16.133 -0.288 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 30 18.490 -0.177 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.620 -2.561 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.631 -2.192 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.400 -0.361 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.135 -1.686 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.694 -0.726 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.181 0.514 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 30 15.387 1.775 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.611 -1.644 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.012 -1.294 0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.323 2.197 0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.289 0.866 1.169 1.00 0.00 H new ATOM 495 N SER A 31 18.402 -2.600 -4.915 1.00 0.00 N ATOM 496 CA SER A 31 19.203 -3.566 -5.651 1.00 0.00 C ATOM 497 C SER A 31 20.259 -2.879 -6.514 1.00 0.00 C ATOM 498 O SER A 31 21.394 -3.347 -6.618 1.00 0.00 O ATOM 499 CB SER A 31 18.298 -4.467 -6.490 1.00 0.00 C ATOM 500 OG SER A 31 17.228 -3.730 -7.056 1.00 0.00 O ATOM 0 H SER A 31 17.417 -2.585 -5.181 1.00 0.00 H new ATOM 0 HA SER A 31 19.737 -4.186 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.881 -4.936 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 31 17.902 -5.270 -5.868 1.00 0.00 H new ATOM 0 HG SER A 31 17.525 -2.816 -7.246 1.00 0.00 H new ATOM 506 N ASN A 32 19.886 -1.769 -7.117 1.00 0.00 N ATOM 507 CA ASN A 32 20.803 -0.989 -7.941 1.00 0.00 C ATOM 508 C ASN A 32 21.873 -0.297 -7.089 1.00 0.00 C ATOM 509 O ASN A 32 22.932 0.072 -7.585 1.00 0.00 O ATOM 510 CB ASN A 32 20.003 0.036 -8.760 1.00 0.00 C ATOM 511 CG ASN A 32 20.533 1.458 -8.656 1.00 0.00 C ATOM 512 OD1 ASN A 32 21.339 1.898 -9.478 1.00 0.00 O ATOM 513 ND2 ASN A 32 20.093 2.176 -7.636 1.00 0.00 N ATOM 0 H ASN A 32 18.946 -1.379 -7.054 1.00 0.00 H new ATOM 0 HA ASN A 32 21.324 -1.664 -8.620 1.00 0.00 H new ATOM 0 HB2 ASN A 32 20.008 -0.267 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 32 18.965 0.021 -8.428 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.421 3.133 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.426 1.773 -6.979 1.00 0.00 H new ATOM 862 N LEU A 56 -2.237 -8.736 -5.687 1.00 0.00 N ATOM 863 CA LEU A 56 -3.322 -9.089 -4.821 1.00 0.00 C ATOM 864 C LEU A 56 -4.224 -10.059 -5.549 1.00 0.00 C ATOM 865 O LEU A 56 -4.825 -9.714 -6.572 1.00 0.00 O ATOM 866 CB LEU A 56 -4.103 -7.840 -4.405 1.00 0.00 C ATOM 867 CG LEU A 56 -5.061 -8.021 -3.227 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.286 -8.350 -1.959 1.00 0.00 C ATOM 869 CD2 LEU A 56 -5.907 -6.772 -3.031 1.00 0.00 C ATOM 0 HA LEU A 56 -2.934 -9.556 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.390 -7.055 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.674 -7.488 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.728 -8.854 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.982 -8.476 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.725 -9.273 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.596 -7.537 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.583 -6.919 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.257 -5.920 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.488 -6.581 -3.933 1.00 0.00 H new ATOM 881 N SER A 57 -4.299 -11.260 -5.042 1.00 0.00 N ATOM 882 CA SER A 57 -5.069 -12.305 -5.658 1.00 0.00 C ATOM 883 C SER A 57 -6.554 -11.940 -5.626 1.00 0.00 C ATOM 884 O SER A 57 -7.026 -11.358 -4.646 1.00 0.00 O ATOM 885 CB SER A 57 -4.811 -13.631 -4.924 1.00 0.00 C ATOM 886 OG SER A 57 -5.333 -14.741 -5.636 1.00 0.00 O ATOM 0 H SER A 57 -3.824 -11.542 -4.184 1.00 0.00 H new ATOM 0 HA SER A 57 -4.769 -12.421 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.739 -13.764 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.263 -13.591 -3.933 1.00 0.00 H new ATOM 0 HG SER A 57 -5.148 -15.565 -5.139 1.00 0.00 H new ATOM 892 N PRO A 58 -7.299 -12.248 -6.713 1.00 0.00 N ATOM 893 CA PRO A 58 -8.741 -11.959 -6.820 1.00 0.00 C ATOM 894 C PRO A 58 -9.517 -12.328 -5.559 1.00 0.00 C ATOM 895 O PRO A 58 -10.473 -11.648 -5.181 1.00 0.00 O ATOM 896 CB PRO A 58 -9.176 -12.836 -7.985 1.00 0.00 C ATOM 897 CG PRO A 58 -7.978 -12.912 -8.863 1.00 0.00 C ATOM 898 CD PRO A 58 -6.778 -12.875 -7.947 1.00 0.00 C ATOM 0 HA PRO A 58 -8.933 -10.895 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.482 -13.825 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.027 -12.403 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.987 -13.827 -9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.957 -12.079 -9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.390 -13.875 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.963 -12.294 -8.378 1.00 0.00 H new ATOM 906 N ILE A 59 -9.081 -13.388 -4.901 1.00 0.00 N ATOM 907 CA ILE A 59 -9.722 -13.854 -3.682 1.00 0.00 C ATOM 908 C ILE A 59 -9.485 -12.868 -2.542 1.00 0.00 C ATOM 909 O ILE A 59 -10.417 -12.474 -1.840 1.00 0.00 O ATOM 910 CB ILE A 59 -9.217 -15.263 -3.274 1.00 0.00 C ATOM 911 CG1 ILE A 59 -9.772 -15.659 -1.905 1.00 0.00 C ATOM 912 CG2 ILE A 59 -7.694 -15.341 -3.293 1.00 0.00 C ATOM 913 CD1 ILE A 59 -9.230 -16.964 -1.382 1.00 0.00 C ATOM 0 H ILE A 59 -8.279 -13.947 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.791 -13.922 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.586 -15.975 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.545 -14.869 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -10.858 -15.727 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.377 -16.343 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.331 -15.123 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.284 -14.613 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.670 -17.176 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.480 -17.766 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.147 -16.895 -1.283 1.00 0.00 H new ATOM 925 N GLU A 60 -8.235 -12.457 -2.386 1.00 0.00 N ATOM 926 CA GLU A 60 -7.856 -11.503 -1.359 1.00 0.00 C ATOM 927 C GLU A 60 -8.542 -10.181 -1.620 1.00 0.00 C ATOM 928 O GLU A 60 -8.975 -9.494 -0.697 1.00 0.00 O ATOM 929 CB GLU A 60 -6.341 -11.305 -1.352 1.00 0.00 C ATOM 930 CG GLU A 60 -5.545 -12.589 -1.205 1.00 0.00 C ATOM 931 CD GLU A 60 -4.053 -12.361 -1.318 1.00 0.00 C ATOM 932 OE1 GLU A 60 -3.334 -12.578 -0.313 1.00 0.00 O ATOM 933 OE2 GLU A 60 -3.591 -11.965 -2.408 1.00 0.00 O ATOM 0 H GLU A 60 -7.459 -12.775 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.164 -11.888 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.046 -10.812 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.078 -10.632 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.768 -13.043 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.860 -13.298 -1.971 1.00 0.00 H new ATOM 940 N ARG A 61 -8.639 -9.836 -2.893 1.00 0.00 N ATOM 941 CA ARG A 61 -9.296 -8.612 -3.321 1.00 0.00 C ATOM 942 C ARG A 61 -10.756 -8.607 -2.875 1.00 0.00 C ATOM 943 O ARG A 61 -11.222 -7.648 -2.266 1.00 0.00 O ATOM 944 CB ARG A 61 -9.172 -8.464 -4.852 1.00 0.00 C ATOM 945 CG ARG A 61 -9.628 -7.117 -5.413 1.00 0.00 C ATOM 946 CD ARG A 61 -11.123 -7.085 -5.685 1.00 0.00 C ATOM 947 NE ARG A 61 -11.553 -5.787 -6.205 1.00 0.00 N ATOM 948 CZ ARG A 61 -12.803 -5.335 -6.149 1.00 0.00 C ATOM 949 NH1 ARG A 61 -13.757 -6.094 -5.649 1.00 0.00 N ATOM 950 NH2 ARG A 61 -13.095 -4.128 -6.615 1.00 0.00 N ATOM 0 H ARG A 61 -8.265 -10.396 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.808 -7.757 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.131 -8.624 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.755 -9.254 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.372 -6.326 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.088 -6.908 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.379 -7.866 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.665 -7.306 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.849 -5.190 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.537 -7.029 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.715 -5.747 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.361 -3.545 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.054 -3.783 -6.571 1.00 0.00 H new ATOM 964 N LEU A 62 -11.468 -9.678 -3.188 1.00 0.00 N ATOM 965 CA LEU A 62 -12.870 -9.815 -2.778 1.00 0.00 C ATOM 966 C LEU A 62 -13.010 -9.764 -1.256 1.00 0.00 C ATOM 967 O LEU A 62 -13.943 -9.157 -0.727 1.00 0.00 O ATOM 968 CB LEU A 62 -13.475 -11.112 -3.302 1.00 0.00 C ATOM 969 CG LEU A 62 -14.928 -11.360 -2.888 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.866 -10.367 -3.562 1.00 0.00 C ATOM 971 CD2 LEU A 62 -15.339 -12.786 -3.194 1.00 0.00 C ATOM 0 H LEU A 62 -11.106 -10.467 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.412 -8.974 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.418 -11.108 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.866 -11.946 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.001 -11.210 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.891 -10.566 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.590 -9.353 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.789 -10.471 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.375 -12.939 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.242 -12.971 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.696 -13.475 -2.647 1.00 0.00 H new ATOM 983 N GLN A 63 -12.073 -10.392 -0.560 1.00 0.00 N ATOM 984 CA GLN A 63 -12.093 -10.392 0.900 1.00 0.00 C ATOM 985 C GLN A 63 -11.927 -8.972 1.414 1.00 0.00 C ATOM 986 O GLN A 63 -12.622 -8.542 2.335 1.00 0.00 O ATOM 987 CB GLN A 63 -10.995 -11.292 1.469 1.00 0.00 C ATOM 988 CG GLN A 63 -11.223 -12.771 1.218 1.00 0.00 C ATOM 989 CD GLN A 63 -10.106 -13.633 1.762 1.00 0.00 C ATOM 990 OE1 GLN A 63 -9.462 -13.292 2.754 1.00 0.00 O ATOM 991 NE2 GLN A 63 -9.871 -14.755 1.118 1.00 0.00 N ATOM 0 H GLN A 63 -11.295 -10.904 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 63 -13.053 -10.787 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.039 -11.002 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.920 -11.123 2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.165 -13.072 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.320 -12.943 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.429 -15.000 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.131 -15.381 1.437 1.00 0.00 H new ATOM 1000 N LEU A 64 -11.018 -8.249 0.784 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.734 -6.877 1.126 1.00 0.00 C ATOM 1002 C LEU A 64 -11.945 -6.007 0.818 1.00 0.00 C ATOM 1003 O LEU A 64 -12.254 -5.079 1.562 1.00 0.00 O ATOM 1004 CB LEU A 64 -9.506 -6.386 0.340 1.00 0.00 C ATOM 1005 CG LEU A 64 -8.498 -5.512 1.106 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -9.140 -4.228 1.603 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.881 -6.288 2.263 1.00 0.00 C ATOM 0 H LEU A 64 -10.453 -8.607 0.013 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.516 -6.809 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.977 -7.258 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.858 -5.822 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.704 -5.238 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.399 -3.635 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.516 -3.657 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.966 -4.469 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.171 -5.651 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.667 -6.603 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.363 -7.166 1.877 1.00 0.00 H new ATOM 1019 N GLU A 65 -12.641 -6.325 -0.274 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.825 -5.586 -0.660 1.00 0.00 C ATOM 1021 C GLU A 65 -14.882 -5.725 0.394 1.00 0.00 C ATOM 1022 O GLU A 65 -15.497 -4.743 0.804 1.00 0.00 O ATOM 1023 CB GLU A 65 -14.359 -6.059 -2.020 1.00 0.00 C ATOM 1024 CG GLU A 65 -15.716 -5.461 -2.392 1.00 0.00 C ATOM 1025 CD GLU A 65 -16.186 -5.873 -3.770 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -16.732 -6.980 -3.910 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -16.007 -5.089 -4.725 1.00 0.00 O ATOM 0 H GLU A 65 -12.398 -7.091 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.554 -4.535 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.635 -5.802 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.442 -7.146 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.457 -5.769 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.653 -4.374 -2.346 1.00 0.00 H new ATOM 1034 N ASP A 66 -15.066 -6.943 0.852 1.00 0.00 N ATOM 1035 CA ASP A 66 -16.046 -7.225 1.887 1.00 0.00 C ATOM 1036 C ASP A 66 -15.733 -6.418 3.135 1.00 0.00 C ATOM 1037 O ASP A 66 -16.632 -5.890 3.803 1.00 0.00 O ATOM 1038 CB ASP A 66 -16.087 -8.719 2.210 1.00 0.00 C ATOM 1039 CG ASP A 66 -17.173 -9.070 3.212 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -16.857 -9.249 4.410 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -18.349 -9.179 2.808 1.00 0.00 O ATOM 0 H ASP A 66 -14.550 -7.760 0.525 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.030 -6.935 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.250 -9.281 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.119 -9.028 2.605 1.00 0.00 H new ATOM 1046 N VAL A 67 -14.448 -6.304 3.428 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.992 -5.528 4.569 1.00 0.00 C ATOM 1048 C VAL A 67 -14.284 -4.042 4.363 1.00 0.00 C ATOM 1049 O VAL A 67 -14.734 -3.368 5.281 1.00 0.00 O ATOM 1050 CB VAL A 67 -12.476 -5.722 4.836 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -12.020 -4.881 6.022 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -12.157 -7.189 5.077 1.00 0.00 C ATOM 0 H VAL A 67 -13.700 -6.741 2.889 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.541 -5.892 5.438 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.934 -5.389 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.954 -5.035 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.207 -3.827 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.573 -5.178 6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.089 -7.303 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.716 -7.545 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.437 -7.771 4.199 1.00 0.00 H new ATOM 1062 N CYS A 68 -14.060 -3.547 3.143 1.00 0.00 N ATOM 1063 CA CYS A 68 -14.271 -2.138 2.836 1.00 0.00 C ATOM 1064 C CYS A 68 -15.741 -1.793 2.889 1.00 0.00 C ATOM 1065 O CYS A 68 -16.120 -0.709 3.323 1.00 0.00 O ATOM 1066 CB CYS A 68 -13.700 -1.794 1.465 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.934 -2.112 1.298 1.00 0.00 S ATOM 0 H CYS A 68 -13.732 -4.105 2.354 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.749 -1.547 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -14.234 -2.367 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.889 -0.740 1.259 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.712 -3.389 1.396 1.00 0.00 H new ATOM 1073 N VAL A 69 -16.566 -2.718 2.435 1.00 0.00 N ATOM 1074 CA VAL A 69 -18.003 -2.546 2.496 1.00 0.00 C ATOM 1075 C VAL A 69 -18.460 -2.371 3.951 1.00 0.00 C ATOM 1076 O VAL A 69 -19.400 -1.625 4.237 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.739 -3.746 1.849 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -20.236 -3.625 2.039 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -18.406 -3.840 0.368 1.00 0.00 C ATOM 0 H VAL A 69 -16.263 -3.599 2.019 1.00 0.00 H new ATOM 0 HA VAL A 69 -18.256 -1.647 1.933 1.00 0.00 H new ATOM 0 HB VAL A 69 -18.400 -4.656 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.732 -4.479 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.467 -3.604 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.589 -2.705 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.932 -4.688 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -18.716 -2.923 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -17.332 -3.976 0.245 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.770 -3.042 4.866 1.00 0.00 N ATOM 1090 CA LYS A 70 -18.091 -2.947 6.285 1.00 0.00 C ATOM 1091 C LYS A 70 -17.324 -1.806 6.974 1.00 0.00 C ATOM 1092 O LYS A 70 -17.387 -1.662 8.195 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.814 -4.274 6.992 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.721 -5.409 6.542 1.00 0.00 C ATOM 1095 CD LYS A 70 -18.461 -6.673 7.343 1.00 0.00 C ATOM 1096 CE LYS A 70 -19.424 -7.786 6.956 1.00 0.00 C ATOM 1097 NZ LYS A 70 -19.263 -8.200 5.541 1.00 0.00 N ATOM 0 H LYS A 70 -16.985 -3.657 4.651 1.00 0.00 H new ATOM 0 HA LYS A 70 -19.155 -2.721 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.777 -4.559 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.929 -4.134 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.763 -5.112 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.560 -5.608 5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.436 -7.004 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.560 -6.458 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.262 -8.646 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.448 -7.451 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.878 -9.015 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.525 -7.411 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.272 -8.464 5.367 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.619 -0.995 6.189 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.882 0.132 6.722 1.00 0.00 C ATOM 1113 C ILE A 71 -16.826 1.313 6.902 1.00 0.00 C ATOM 1114 O ILE A 71 -17.829 1.433 6.192 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.662 0.525 5.805 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.564 -0.543 5.890 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -14.087 1.893 6.172 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -12.326 -0.225 5.071 1.00 0.00 C ATOM 0 H ILE A 71 -16.547 -1.104 5.177 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.469 -0.155 7.689 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.033 0.584 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.274 -0.669 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.973 -1.497 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.248 2.123 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.858 2.655 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.744 1.878 7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.598 -1.028 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.600 -0.129 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.890 0.711 5.419 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.516 2.175 7.841 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.341 3.332 8.117 1.00 0.00 C ATOM 1132 C HIS A 72 -16.714 4.550 7.454 1.00 0.00 C ATOM 1133 O HIS A 72 -15.493 4.607 7.309 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.467 3.571 9.630 1.00 0.00 C ATOM 1135 CG HIS A 72 -18.143 2.465 10.379 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.613 1.901 11.517 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.324 1.838 10.169 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.438 0.974 11.971 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.481 0.918 11.173 1.00 0.00 N ATOM 0 H HIS A 72 -15.690 2.097 8.434 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.341 3.158 7.719 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.470 3.718 10.046 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -18.021 4.495 9.794 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -20.015 2.027 9.360 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.282 0.365 12.849 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.278 0.291 11.283 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.533 5.535 7.047 1.00 0.00 N ATOM 1148 CA PRO A 73 -17.053 6.749 6.366 1.00 0.00 C ATOM 1149 C PRO A 73 -15.801 7.370 7.012 1.00 0.00 C ATOM 1150 O PRO A 73 -14.754 7.482 6.369 1.00 0.00 O ATOM 1151 CB PRO A 73 -18.243 7.693 6.481 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.426 6.794 6.474 1.00 0.00 C ATOM 1153 CD PRO A 73 -19.004 5.544 7.202 1.00 0.00 C ATOM 0 HA PRO A 73 -16.739 6.537 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.196 8.282 7.397 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.274 8.398 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.276 7.265 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.736 6.565 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.297 5.572 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.459 4.654 6.768 1.00 0.00 H new ATOM 1161 N SER A 74 -15.898 7.743 8.284 1.00 0.00 N ATOM 1162 CA SER A 74 -14.795 8.392 8.989 1.00 0.00 C ATOM 1163 C SER A 74 -13.644 7.430 9.328 1.00 0.00 C ATOM 1164 O SER A 74 -12.610 7.860 9.812 1.00 0.00 O ATOM 1165 CB SER A 74 -15.313 9.049 10.263 1.00 0.00 C ATOM 1166 OG SER A 74 -16.403 9.916 9.981 1.00 0.00 O ATOM 0 H SER A 74 -16.734 7.606 8.852 1.00 0.00 H new ATOM 0 HA SER A 74 -14.387 9.144 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.627 8.282 10.970 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.510 9.611 10.739 1.00 0.00 H new ATOM 0 HG SER A 74 -16.720 10.325 10.813 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.834 6.142 9.095 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.799 5.153 9.421 1.00 0.00 C ATOM 1174 C TYR A 75 -11.817 4.979 8.291 1.00 0.00 C ATOM 1175 O TYR A 75 -10.683 4.550 8.501 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.416 3.814 9.802 1.00 0.00 C ATOM 1177 CG TYR A 75 -13.681 3.703 11.271 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -14.557 4.566 11.894 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -13.038 2.747 12.038 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -14.789 4.486 13.254 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -13.263 2.650 13.393 1.00 0.00 C ATOM 1182 CZ TYR A 75 -14.138 3.523 13.999 1.00 0.00 C ATOM 1183 OH TYR A 75 -14.352 3.438 15.357 1.00 0.00 O ATOM 0 H TYR A 75 -14.683 5.752 8.686 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.252 5.536 10.282 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.350 3.679 9.256 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.748 3.009 9.495 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -15.070 5.316 11.310 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.347 2.065 11.565 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -15.474 5.171 13.730 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -12.757 1.895 13.976 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.119 3.996 15.603 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.249 5.320 7.109 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.410 5.213 5.926 1.00 0.00 C ATOM 1195 C CYS A 76 -10.224 6.174 6.018 1.00 0.00 C ATOM 1196 O CYS A 76 -9.084 5.790 5.770 1.00 0.00 O ATOM 1197 CB CYS A 76 -12.233 5.490 4.661 1.00 0.00 C ATOM 1198 SG CYS A 76 -11.322 5.288 3.114 1.00 0.00 S ATOM 0 H CYS A 76 -13.186 5.679 6.928 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.021 4.196 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.095 4.822 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.619 6.508 4.710 1.00 0.00 H new ATOM 0 HG CYS A 76 -12.108 5.543 2.111 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.525 7.421 6.353 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.504 8.459 6.521 1.00 0.00 C ATOM 1206 C GLY A 77 -8.299 8.004 7.326 1.00 0.00 C ATOM 1207 O GLY A 77 -7.207 7.869 6.769 1.00 0.00 O ATOM 0 H GLY A 77 -11.478 7.746 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.169 8.790 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.953 9.322 7.012 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.461 7.777 8.648 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.383 7.295 9.505 1.00 0.00 C ATOM 1213 C PRO A 78 -6.708 6.063 8.920 1.00 0.00 C ATOM 1214 O PRO A 78 -5.494 5.981 8.905 1.00 0.00 O ATOM 1215 CB PRO A 78 -8.082 6.948 10.835 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.544 7.051 10.558 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.687 8.001 9.407 1.00 0.00 C ATOM 0 HA PRO A 78 -6.594 8.038 9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.816 5.945 11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.783 7.636 11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.963 6.075 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.081 7.417 11.433 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.575 7.786 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.771 9.034 9.744 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.518 5.091 8.481 1.00 0.00 N ATOM 1226 CA ALA A 79 -7.003 3.883 7.830 1.00 0.00 C ATOM 1227 C ALA A 79 -5.952 4.218 6.783 1.00 0.00 C ATOM 1228 O ALA A 79 -4.885 3.605 6.748 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.136 3.077 7.211 1.00 0.00 C ATOM 0 H ALA A 79 -8.534 5.119 8.566 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.525 3.275 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.730 2.185 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.841 2.783 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.650 3.685 6.466 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.238 5.204 5.951 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.290 5.610 4.929 1.00 0.00 C ATOM 1237 C ILE A 80 -4.127 6.397 5.533 1.00 0.00 C ATOM 1238 O ILE A 80 -2.955 6.137 5.231 1.00 0.00 O ATOM 1239 CB ILE A 80 -5.975 6.425 3.786 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.551 5.485 2.718 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.011 7.424 3.143 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.623 4.550 3.224 1.00 0.00 C ATOM 0 H ILE A 80 -7.110 5.734 5.962 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.891 4.697 4.486 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.790 6.991 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.963 6.085 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.739 4.893 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.527 7.970 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.657 8.126 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.162 6.889 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.974 3.922 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.214 3.921 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.456 5.131 3.619 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.464 7.340 6.384 1.00 0.00 N ATOM 1255 CA LEU A 81 -3.478 8.189 7.053 1.00 0.00 C ATOM 1256 C LEU A 81 -2.438 7.358 7.785 1.00 0.00 C ATOM 1257 O LEU A 81 -1.238 7.544 7.592 1.00 0.00 O ATOM 1258 CB LEU A 81 -4.167 9.140 8.036 1.00 0.00 C ATOM 1259 CG LEU A 81 -5.126 10.155 7.416 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -5.825 10.956 8.501 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -4.381 11.080 6.468 1.00 0.00 C ATOM 0 H LEU A 81 -5.430 7.548 6.639 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.971 8.773 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.719 8.544 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.399 9.683 8.586 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.881 9.613 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.504 11.674 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.390 10.282 9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.083 11.488 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.079 11.797 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.605 11.615 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.923 10.493 5.672 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.902 6.430 8.603 1.00 0.00 N ATOM 1274 CA ARG A 82 -2.015 5.583 9.368 1.00 0.00 C ATOM 1275 C ARG A 82 -1.229 4.660 8.465 1.00 0.00 C ATOM 1276 O ARG A 82 -0.071 4.390 8.727 1.00 0.00 O ATOM 1277 CB ARG A 82 -2.771 4.767 10.418 1.00 0.00 C ATOM 1278 CG ARG A 82 -3.343 5.593 11.559 1.00 0.00 C ATOM 1279 CD ARG A 82 -3.719 4.709 12.740 1.00 0.00 C ATOM 1280 NE ARG A 82 -2.551 3.987 13.261 1.00 0.00 N ATOM 1281 CZ ARG A 82 -2.596 3.026 14.190 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -3.746 2.690 14.761 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -1.479 2.417 14.560 1.00 0.00 N ATOM 0 H ARG A 82 -3.894 6.246 8.752 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.320 6.242 9.888 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.585 4.232 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.098 4.015 10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.612 6.337 11.876 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.222 6.137 11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.153 5.321 13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.483 3.995 12.433 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.636 4.237 12.886 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.607 3.166 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.769 1.956 15.468 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.590 2.682 14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.509 1.684 15.268 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.852 4.186 7.390 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.160 3.292 6.480 1.00 0.00 C ATOM 1299 C PHE A 83 0.027 3.998 5.832 1.00 0.00 C ATOM 1300 O PHE A 83 1.133 3.459 5.787 1.00 0.00 O ATOM 1301 CB PHE A 83 -2.095 2.723 5.404 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.415 1.687 4.568 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -0.706 0.664 5.170 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -1.461 1.742 3.189 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.053 -0.276 4.419 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.809 0.792 2.431 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.102 -0.215 3.054 1.00 0.00 C ATOM 0 H PHE A 83 -2.815 4.403 7.134 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.795 2.452 7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.973 2.287 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.448 3.532 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.667 0.606 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.011 2.533 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.501 -1.066 4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.852 0.837 1.353 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.414 -0.957 2.462 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.201 5.215 5.361 1.00 0.00 N ATOM 1318 CA ARG A 84 0.855 5.998 4.737 1.00 0.00 C ATOM 1319 C ARG A 84 1.906 6.358 5.770 1.00 0.00 C ATOM 1320 O ARG A 84 3.107 6.285 5.507 1.00 0.00 O ATOM 1321 CB ARG A 84 0.285 7.270 4.096 1.00 0.00 C ATOM 1322 CG ARG A 84 1.336 8.143 3.417 1.00 0.00 C ATOM 1323 CD ARG A 84 0.752 9.465 2.939 1.00 0.00 C ATOM 1324 NE ARG A 84 -0.275 9.286 1.909 1.00 0.00 N ATOM 1325 CZ ARG A 84 -0.915 10.291 1.300 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -0.624 11.553 1.602 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -1.837 10.028 0.382 1.00 0.00 N ATOM 0 H ARG A 84 -1.107 5.681 5.399 1.00 0.00 H new ATOM 0 HA ARG A 84 1.314 5.398 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.469 6.988 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.220 7.857 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.152 8.337 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.761 7.606 2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.322 9.996 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.553 10.090 2.544 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.518 8.333 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.090 11.759 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.115 12.315 1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.057 9.061 0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.326 10.793 -0.083 1.00 0.00 H new ATOM 1341 N GLN A 85 1.439 6.727 6.947 1.00 0.00 N ATOM 1342 CA GLN A 85 2.305 7.085 8.052 1.00 0.00 C ATOM 1343 C GLN A 85 3.197 5.905 8.435 1.00 0.00 C ATOM 1344 O GLN A 85 4.403 6.064 8.636 1.00 0.00 O ATOM 1345 CB GLN A 85 1.449 7.514 9.249 1.00 0.00 C ATOM 1346 CG GLN A 85 2.228 7.998 10.461 1.00 0.00 C ATOM 1347 CD GLN A 85 1.311 8.384 11.609 1.00 0.00 C ATOM 1348 OE1 GLN A 85 0.223 7.822 11.769 1.00 0.00 O ATOM 1349 NE2 GLN A 85 1.731 9.345 12.408 1.00 0.00 N ATOM 0 H GLN A 85 0.444 6.787 7.164 1.00 0.00 H new ATOM 0 HA GLN A 85 2.946 7.913 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.777 8.309 8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.826 6.672 9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.911 7.215 10.790 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.839 8.856 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.636 9.786 12.244 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.151 9.648 13.190 1.00 0.00 H new ATOM 1358 N LEU A 86 2.609 4.712 8.466 1.00 0.00 N ATOM 1359 CA LEU A 86 3.334 3.522 8.896 1.00 0.00 C ATOM 1360 C LEU A 86 4.285 3.048 7.829 1.00 0.00 C ATOM 1361 O LEU A 86 5.414 2.696 8.121 1.00 0.00 O ATOM 1362 CB LEU A 86 2.375 2.403 9.298 1.00 0.00 C ATOM 1363 CG LEU A 86 1.612 2.626 10.604 1.00 0.00 C ATOM 1364 CD1 LEU A 86 0.579 1.533 10.816 1.00 0.00 C ATOM 1365 CD2 LEU A 86 2.573 2.687 11.785 1.00 0.00 C ATOM 0 H LEU A 86 1.639 4.545 8.200 1.00 0.00 H new ATOM 0 HA LEU A 86 3.919 3.796 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.652 2.262 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.942 1.476 9.383 1.00 0.00 H new ATOM 0 HG LEU A 86 1.092 3.581 10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.048 1.711 11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.131 1.538 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.078 0.565 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.010 2.846 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.124 1.749 11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.274 3.509 11.642 1.00 0.00 H new ATOM 1377 N LEU A 87 3.836 3.062 6.592 1.00 0.00 N ATOM 1378 CA LEU A 87 4.666 2.650 5.475 1.00 0.00 C ATOM 1379 C LEU A 87 5.917 3.498 5.406 1.00 0.00 C ATOM 1380 O LEU A 87 6.997 3.017 5.107 1.00 0.00 O ATOM 1381 CB LEU A 87 3.879 2.749 4.172 1.00 0.00 C ATOM 1382 CG LEU A 87 4.666 2.448 2.905 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.789 1.735 1.909 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.220 3.730 2.294 1.00 0.00 C ATOM 0 H LEU A 87 2.895 3.356 6.331 1.00 0.00 H new ATOM 0 HA LEU A 87 4.964 1.612 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.034 2.062 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.467 3.755 4.092 1.00 0.00 H new ATOM 0 HG LEU A 87 5.505 1.803 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.361 1.524 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.434 0.799 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.936 2.365 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.779 3.490 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.397 4.400 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.881 4.218 3.010 1.00 0.00 H new ATOM 1396 N ALA A 88 5.747 4.750 5.701 1.00 0.00 N ATOM 1397 CA ALA A 88 6.833 5.703 5.699 1.00 0.00 C ATOM 1398 C ALA A 88 7.781 5.442 6.850 1.00 0.00 C ATOM 1399 O ALA A 88 8.971 5.742 6.772 1.00 0.00 O ATOM 1400 CB ALA A 88 6.299 7.124 5.753 1.00 0.00 C ATOM 0 H ALA A 88 4.844 5.151 5.954 1.00 0.00 H new ATOM 0 HA ALA A 88 7.389 5.582 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.133 7.826 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.667 7.308 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.714 7.258 6.663 1.00 0.00 H new ATOM 1406 N GLU A 89 7.247 4.886 7.916 1.00 0.00 N ATOM 1407 CA GLU A 89 8.054 4.535 9.080 1.00 0.00 C ATOM 1408 C GLU A 89 8.767 3.215 8.851 1.00 0.00 C ATOM 1409 O GLU A 89 9.928 3.047 9.219 1.00 0.00 O ATOM 1410 CB GLU A 89 7.191 4.454 10.343 1.00 0.00 C ATOM 1411 CG GLU A 89 6.523 5.761 10.725 1.00 0.00 C ATOM 1412 CD GLU A 89 7.514 6.854 11.052 1.00 0.00 C ATOM 1413 OE1 GLU A 89 7.734 7.116 12.246 1.00 0.00 O ATOM 1414 OE2 GLU A 89 8.073 7.461 10.114 1.00 0.00 O ATOM 0 H GLU A 89 6.256 4.664 8.007 1.00 0.00 H new ATOM 0 HA GLU A 89 8.797 5.319 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.422 3.695 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.813 4.121 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.884 6.090 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.876 5.594 11.586 1.00 0.00 H new ATOM 1421 N GLN A 90 8.065 2.287 8.233 1.00 0.00 N ATOM 1422 CA GLN A 90 8.620 0.961 7.943 1.00 0.00 C ATOM 1423 C GLN A 90 9.443 0.963 6.664 1.00 0.00 C ATOM 1424 O GLN A 90 10.055 -0.054 6.317 1.00 0.00 O ATOM 1425 CB GLN A 90 7.515 -0.109 7.850 1.00 0.00 C ATOM 1426 CG GLN A 90 7.033 -0.651 9.194 1.00 0.00 C ATOM 1427 CD GLN A 90 6.198 0.339 9.975 1.00 0.00 C ATOM 1428 OE1 GLN A 90 4.978 0.365 9.861 1.00 0.00 O ATOM 1429 NE2 GLN A 90 6.844 1.158 10.771 1.00 0.00 N ATOM 0 H GLN A 90 7.104 2.418 7.917 1.00 0.00 H new ATOM 0 HA GLN A 90 9.277 0.711 8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.663 0.314 7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.884 -0.941 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.448 -1.555 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.897 -0.939 9.793 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.860 1.107 10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.330 1.846 11.321 1.00 0.00 H new ATOM 1438 N GLU A 91 9.442 2.108 5.967 1.00 0.00 N ATOM 1439 CA GLU A 91 10.181 2.285 4.709 1.00 0.00 C ATOM 1440 C GLU A 91 9.504 1.528 3.559 1.00 0.00 C ATOM 1441 O GLU A 91 8.858 0.499 3.774 1.00 0.00 O ATOM 1442 CB GLU A 91 11.656 1.851 4.847 1.00 0.00 C ATOM 1443 CG GLU A 91 12.489 2.741 5.758 1.00 0.00 C ATOM 1444 CD GLU A 91 12.607 4.158 5.237 1.00 0.00 C ATOM 1445 OE1 GLU A 91 13.008 4.335 4.070 1.00 0.00 O ATOM 1446 OE2 GLU A 91 12.315 5.104 5.998 1.00 0.00 O ATOM 0 H GLU A 91 8.928 2.939 6.260 1.00 0.00 H new ATOM 0 HA GLU A 91 10.167 3.350 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.688 0.830 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.112 1.836 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.041 2.759 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.486 2.313 5.866 1.00 0.00 H new ATOM 1453 N PRO A 92 9.618 2.044 2.321 1.00 0.00 N ATOM 1454 CA PRO A 92 9.036 1.397 1.144 1.00 0.00 C ATOM 1455 C PRO A 92 9.555 -0.028 0.965 1.00 0.00 C ATOM 1456 O PRO A 92 10.761 -0.273 1.077 1.00 0.00 O ATOM 1457 CB PRO A 92 9.499 2.277 -0.021 1.00 0.00 C ATOM 1458 CG PRO A 92 9.809 3.595 0.596 1.00 0.00 C ATOM 1459 CD PRO A 92 10.310 3.300 1.977 1.00 0.00 C ATOM 0 HA PRO A 92 7.952 1.310 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.376 1.854 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.722 2.369 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.560 4.130 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.922 4.228 0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.393 3.182 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.064 4.100 2.675 1.00 0.00 H new ATOM 1467 N GLU A 93 8.642 -0.949 0.662 1.00 0.00 N ATOM 1468 CA GLU A 93 8.967 -2.350 0.489 1.00 0.00 C ATOM 1469 C GLU A 93 7.700 -3.098 0.133 1.00 0.00 C ATOM 1470 O GLU A 93 6.815 -3.236 0.949 1.00 0.00 O ATOM 1471 CB GLU A 93 9.589 -2.935 1.762 1.00 0.00 C ATOM 1472 CG GLU A 93 10.427 -4.161 1.513 1.00 0.00 C ATOM 1473 CD GLU A 93 11.386 -3.969 0.362 1.00 0.00 C ATOM 1474 OE1 GLU A 93 11.156 -4.573 -0.707 1.00 0.00 O ATOM 1475 OE2 GLU A 93 12.351 -3.209 0.519 1.00 0.00 O ATOM 0 H GLU A 93 7.653 -0.736 0.531 1.00 0.00 H new ATOM 0 HA GLU A 93 9.701 -2.452 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.206 -2.173 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.793 -3.185 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.988 -4.405 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.775 -5.009 1.304 1.00 0.00 H new ATOM 1482 N VAL A 94 7.624 -3.532 -1.101 1.00 0.00 N ATOM 1483 CA VAL A 94 6.447 -4.215 -1.652 1.00 0.00 C ATOM 1484 C VAL A 94 5.920 -5.333 -0.740 1.00 0.00 C ATOM 1485 O VAL A 94 4.712 -5.503 -0.594 1.00 0.00 O ATOM 1486 CB VAL A 94 6.734 -4.754 -3.080 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.659 -5.951 -3.067 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.453 -5.055 -3.831 1.00 0.00 C ATOM 0 H VAL A 94 8.383 -3.426 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 94 5.657 -3.466 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 94 7.252 -3.958 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.829 -6.291 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.610 -5.671 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.205 -6.755 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.694 -5.430 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.881 -5.808 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.861 -4.144 -3.920 1.00 0.00 H new ATOM 1498 N GLN A 95 6.823 -6.050 -0.099 1.00 0.00 N ATOM 1499 CA GLN A 95 6.426 -7.137 0.817 1.00 0.00 C ATOM 1500 C GLN A 95 5.816 -6.556 2.079 1.00 0.00 C ATOM 1501 O GLN A 95 4.911 -7.138 2.680 1.00 0.00 O ATOM 1502 CB GLN A 95 7.616 -8.032 1.226 1.00 0.00 C ATOM 1503 CG GLN A 95 8.380 -8.688 0.083 1.00 0.00 C ATOM 1504 CD GLN A 95 9.335 -7.742 -0.617 1.00 0.00 C ATOM 1505 OE1 GLN A 95 9.622 -7.897 -1.790 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.830 -6.755 0.106 1.00 0.00 N ATOM 0 H GLN A 95 7.830 -5.913 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 95 5.703 -7.749 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.315 -7.430 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.246 -8.816 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.940 -9.539 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.668 -9.079 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.565 -6.658 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.477 -6.089 -0.316 1.00 0.00 H new ATOM 1515 N GLU A 96 6.302 -5.394 2.463 1.00 0.00 N ATOM 1516 CA GLU A 96 5.867 -4.753 3.668 1.00 0.00 C ATOM 1517 C GLU A 96 4.555 -4.072 3.407 1.00 0.00 C ATOM 1518 O GLU A 96 3.664 -4.097 4.234 1.00 0.00 O ATOM 1519 CB GLU A 96 6.905 -3.723 4.117 1.00 0.00 C ATOM 1520 CG GLU A 96 6.849 -3.376 5.590 1.00 0.00 C ATOM 1521 CD GLU A 96 7.565 -4.399 6.439 1.00 0.00 C ATOM 1522 OE1 GLU A 96 6.909 -5.330 6.945 1.00 0.00 O ATOM 1523 OE2 GLU A 96 8.800 -4.277 6.594 1.00 0.00 O ATOM 0 H GLU A 96 7.009 -4.874 1.943 1.00 0.00 H new ATOM 0 HA GLU A 96 5.749 -5.496 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.900 -4.103 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.768 -2.811 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.297 -2.395 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.808 -3.306 5.907 1.00 0.00 H new ATOM 1530 N VAL A 97 4.449 -3.487 2.224 1.00 0.00 N ATOM 1531 CA VAL A 97 3.255 -2.770 1.824 1.00 0.00 C ATOM 1532 C VAL A 97 2.037 -3.658 1.936 1.00 0.00 C ATOM 1533 O VAL A 97 1.081 -3.326 2.619 1.00 0.00 O ATOM 1534 CB VAL A 97 3.357 -2.226 0.376 1.00 0.00 C ATOM 1535 CG1 VAL A 97 2.074 -1.507 -0.026 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.546 -1.295 0.238 1.00 0.00 C ATOM 0 H VAL A 97 5.186 -3.497 1.519 1.00 0.00 H new ATOM 0 HA VAL A 97 3.158 -1.922 2.501 1.00 0.00 H new ATOM 0 HB VAL A 97 3.499 -3.074 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.170 -1.134 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.235 -2.201 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.898 -0.671 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.601 -0.924 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.432 -0.455 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.462 -1.836 0.477 1.00 0.00 H new ATOM 1546 N SER A 98 2.092 -4.795 1.285 1.00 0.00 N ATOM 1547 CA SER A 98 0.981 -5.715 1.269 1.00 0.00 C ATOM 1548 C SER A 98 0.678 -6.280 2.654 1.00 0.00 C ATOM 1549 O SER A 98 -0.482 -6.363 3.073 1.00 0.00 O ATOM 1550 CB SER A 98 1.251 -6.840 0.280 1.00 0.00 C ATOM 1551 OG SER A 98 2.513 -7.436 0.526 1.00 0.00 O ATOM 0 H SER A 98 2.905 -5.107 0.754 1.00 0.00 H new ATOM 0 HA SER A 98 0.098 -5.159 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.467 -7.593 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.220 -6.451 -0.738 1.00 0.00 H new ATOM 0 HG SER A 98 3.211 -6.928 0.061 1.00 0.00 H new ATOM 1557 N GLN A 99 1.721 -6.645 3.356 1.00 0.00 N ATOM 1558 CA GLN A 99 1.597 -7.242 4.679 1.00 0.00 C ATOM 1559 C GLN A 99 1.045 -6.230 5.674 1.00 0.00 C ATOM 1560 O GLN A 99 0.194 -6.551 6.491 1.00 0.00 O ATOM 1561 CB GLN A 99 2.966 -7.795 5.125 1.00 0.00 C ATOM 1562 CG GLN A 99 2.967 -8.564 6.445 1.00 0.00 C ATOM 1563 CD GLN A 99 3.072 -7.674 7.674 1.00 0.00 C ATOM 1564 OE1 GLN A 99 2.545 -8.005 8.732 1.00 0.00 O ATOM 1565 NE2 GLN A 99 3.769 -6.556 7.549 1.00 0.00 N ATOM 0 H GLN A 99 2.683 -6.540 3.034 1.00 0.00 H new ATOM 0 HA GLN A 99 0.890 -8.071 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.345 -8.452 4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.664 -6.962 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.053 -9.154 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.800 -9.267 6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.192 -6.316 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.883 -5.934 8.349 1.00 0.00 H new ATOM 1574 N LEU A 100 1.496 -5.009 5.554 1.00 0.00 N ATOM 1575 CA LEU A 100 1.083 -3.943 6.434 1.00 0.00 C ATOM 1576 C LEU A 100 -0.302 -3.502 6.059 1.00 0.00 C ATOM 1577 O LEU A 100 -1.095 -3.111 6.912 1.00 0.00 O ATOM 1578 CB LEU A 100 2.066 -2.768 6.350 1.00 0.00 C ATOM 1579 CG LEU A 100 1.730 -1.538 7.194 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.682 -1.892 8.668 1.00 0.00 C ATOM 1581 CD2 LEU A 100 2.742 -0.433 6.939 1.00 0.00 C ATOM 0 H LEU A 100 2.165 -4.722 4.839 1.00 0.00 H new ATOM 0 HA LEU A 100 1.078 -4.304 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.052 -3.126 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.139 -2.457 5.308 1.00 0.00 H new ATOM 0 HG LEU A 100 0.743 -1.179 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.441 -1.001 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.918 -2.651 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.652 -2.278 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.491 0.437 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.739 -0.785 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.722 -0.158 5.885 1.00 0.00 H new ATOM 1593 N PHE A 101 -0.603 -3.614 4.779 1.00 0.00 N ATOM 1594 CA PHE A 101 -1.899 -3.223 4.278 1.00 0.00 C ATOM 1595 C PHE A 101 -2.964 -4.142 4.814 1.00 0.00 C ATOM 1596 O PHE A 101 -4.014 -3.699 5.266 1.00 0.00 O ATOM 1597 CB PHE A 101 -1.936 -3.234 2.757 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.262 -2.813 2.201 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.629 -1.481 2.194 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.140 -3.750 1.691 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -4.851 -1.087 1.687 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.363 -3.367 1.181 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.720 -2.033 1.178 1.00 0.00 C ATOM 0 H PHE A 101 0.036 -3.973 4.070 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.089 -2.205 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.161 -2.570 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.700 -4.237 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.952 -0.739 2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.865 -4.795 1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.127 -0.043 1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.040 -4.109 0.785 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.677 -1.730 0.779 1.00 0.00 H new ATOM 1613 N ARG A 102 -2.679 -5.423 4.795 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.625 -6.390 5.260 1.00 0.00 C ATOM 1615 C ARG A 102 -3.685 -6.356 6.764 1.00 0.00 C ATOM 1616 O ARG A 102 -4.751 -6.507 7.353 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.263 -7.781 4.755 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.115 -8.890 5.339 1.00 0.00 C ATOM 1619 CD ARG A 102 -4.044 -10.133 4.490 1.00 0.00 C ATOM 1620 NE ARG A 102 -2.670 -10.569 4.236 1.00 0.00 N ATOM 1621 CZ ARG A 102 -2.277 -11.193 3.120 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -3.157 -11.438 2.149 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -1.010 -11.569 2.979 1.00 0.00 N ATOM 0 H ARG A 102 -1.797 -5.812 4.461 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.611 -6.144 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.357 -7.798 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.217 -7.980 4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.778 -9.117 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.150 -8.556 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.590 -10.937 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.543 -9.947 3.539 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.969 -10.386 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.129 -11.150 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.858 -11.914 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.337 -11.382 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.711 -12.045 2.128 1.00 0.00 H new ATOM 1637 N SER A 103 -2.536 -6.126 7.380 1.00 0.00 N ATOM 1638 CA SER A 103 -2.459 -6.045 8.828 1.00 0.00 C ATOM 1639 C SER A 103 -3.375 -4.967 9.380 1.00 0.00 C ATOM 1640 O SER A 103 -4.277 -5.262 10.161 1.00 0.00 O ATOM 1641 CB SER A 103 -1.026 -5.819 9.297 1.00 0.00 C ATOM 1642 OG SER A 103 -0.223 -6.945 9.009 1.00 0.00 O ATOM 0 H SER A 103 -1.646 -5.992 6.900 1.00 0.00 H new ATOM 0 HA SER A 103 -2.798 -7.005 9.218 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.613 -4.937 8.808 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.016 -5.623 10.369 1.00 0.00 H new ATOM 0 HG SER A 103 -0.188 -7.083 8.039 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.162 -3.722 8.962 1.00 0.00 N ATOM 1649 CA VAL A 104 -3.974 -2.611 9.449 1.00 0.00 C ATOM 1650 C VAL A 104 -5.442 -2.807 9.136 1.00 0.00 C ATOM 1651 O VAL A 104 -6.301 -2.469 9.945 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.491 -1.230 8.921 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -2.080 -0.937 9.403 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -3.563 -1.155 7.400 1.00 0.00 C ATOM 0 H VAL A 104 -2.439 -3.458 8.292 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.847 -2.608 10.532 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.162 -0.471 9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.760 0.033 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.063 -0.924 10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.403 -1.710 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.218 -0.176 7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.930 -1.929 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.593 -1.306 7.077 1.00 0.00 H new ATOM 1664 N LEU A 105 -5.729 -3.357 7.971 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.100 -3.649 7.583 1.00 0.00 C ATOM 1666 C LEU A 105 -7.741 -4.640 8.537 1.00 0.00 C ATOM 1667 O LEU A 105 -8.922 -4.534 8.845 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.158 -4.185 6.153 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.558 -3.172 5.067 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -8.993 -2.709 5.269 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.615 -1.978 5.059 1.00 0.00 C ATOM 0 H LEU A 105 -5.030 -3.612 7.273 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.661 -2.715 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.179 -4.592 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.865 -5.014 6.126 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.485 -3.671 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.257 -1.993 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.663 -3.567 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.088 -2.235 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.921 -1.278 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.649 -1.481 6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.599 -2.318 4.861 1.00 0.00 H new ATOM 1683 N GLN A 106 -6.964 -5.598 9.014 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.488 -6.576 9.952 1.00 0.00 C ATOM 1685 C GLN A 106 -7.593 -5.969 11.339 1.00 0.00 C ATOM 1686 O GLN A 106 -8.483 -6.315 12.123 1.00 0.00 O ATOM 1687 CB GLN A 106 -6.627 -7.840 9.983 1.00 0.00 C ATOM 1688 CG GLN A 106 -6.573 -8.594 8.659 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.948 -8.930 8.111 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -8.515 -9.975 8.418 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.486 -8.049 7.286 1.00 0.00 N ATOM 0 H GLN A 106 -5.981 -5.719 8.771 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.484 -6.864 9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.613 -7.568 10.274 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.011 -8.509 10.753 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.033 -7.993 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.007 -9.516 8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.983 -7.192 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.405 -8.226 6.879 1.00 0.00 H new ATOM 1700 N GLU A 107 -6.693 -5.052 11.626 1.00 0.00 N ATOM 1701 CA GLU A 107 -6.690 -4.375 12.923 1.00 0.00 C ATOM 1702 C GLU A 107 -7.884 -3.448 13.034 1.00 0.00 C ATOM 1703 O GLU A 107 -8.648 -3.495 14.013 1.00 0.00 O ATOM 1704 CB GLU A 107 -5.405 -3.583 13.140 1.00 0.00 C ATOM 1705 CG GLU A 107 -4.151 -4.431 13.198 1.00 0.00 C ATOM 1706 CD GLU A 107 -2.944 -3.626 13.607 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -2.574 -2.693 12.876 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -2.359 -3.923 14.672 1.00 0.00 O ATOM 0 H GLU A 107 -5.955 -4.754 10.989 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.751 -5.143 13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.300 -2.855 12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.492 -3.020 14.069 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.298 -5.248 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.973 -4.882 12.222 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.059 -2.617 12.020 1.00 0.00 N ATOM 1716 CA VAL A 108 -9.151 -1.678 11.997 1.00 0.00 C ATOM 1717 C VAL A 108 -10.484 -2.418 11.930 1.00 0.00 C ATOM 1718 O VAL A 108 -11.482 -1.945 12.436 1.00 0.00 O ATOM 1719 CB VAL A 108 -9.029 -0.660 10.823 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -9.334 -1.300 9.477 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -9.919 0.541 11.064 1.00 0.00 C ATOM 0 H VAL A 108 -7.452 -2.579 11.201 1.00 0.00 H new ATOM 0 HA VAL A 108 -9.107 -1.105 12.923 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.992 -0.324 10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.237 -0.553 8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.633 -2.114 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.351 -1.691 9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.820 1.240 10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -10.956 0.215 11.142 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.623 1.034 11.990 1.00 0.00 H new ATOM 1731 N LEU A 109 -10.464 -3.609 11.340 1.00 0.00 N ATOM 1732 CA LEU A 109 -11.657 -4.434 11.209 1.00 0.00 C ATOM 1733 C LEU A 109 -12.180 -4.805 12.588 1.00 0.00 C ATOM 1734 O LEU A 109 -13.353 -4.620 12.884 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.329 -5.706 10.393 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.519 -6.526 9.843 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -12.026 -7.527 8.812 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -13.255 -7.262 10.956 1.00 0.00 C ATOM 0 H LEU A 109 -9.623 -4.027 10.941 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.429 -3.873 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.704 -5.413 9.550 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.729 -6.364 11.022 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.216 -5.829 9.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.870 -8.101 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.546 -6.996 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.308 -8.203 9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -14.085 -7.827 10.532 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.569 -7.945 11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.639 -6.541 11.677 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.290 -5.304 13.432 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.657 -5.743 14.772 1.00 0.00 C ATOM 1752 C GLU A 110 -12.263 -4.598 15.593 1.00 0.00 C ATOM 1753 O GLU A 110 -13.308 -4.764 16.240 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.433 -6.323 15.490 1.00 0.00 C ATOM 1755 CG GLU A 110 -10.757 -7.011 16.804 1.00 0.00 C ATOM 1756 CD GLU A 110 -11.714 -8.169 16.627 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -11.252 -9.301 16.395 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -12.939 -7.958 16.716 1.00 0.00 O ATOM 0 H GLU A 110 -10.300 -5.416 13.211 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.416 -6.519 14.675 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.941 -7.037 14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.720 -5.520 15.678 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.835 -7.372 17.259 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.191 -6.287 17.493 1.00 0.00 H new ATOM 1765 N ARG A 111 -11.633 -3.434 15.537 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.100 -2.286 16.324 1.00 0.00 C ATOM 1767 C ARG A 111 -13.357 -1.666 15.710 1.00 0.00 C ATOM 1768 O ARG A 111 -14.236 -1.178 16.419 1.00 0.00 O ATOM 1769 CB ARG A 111 -10.994 -1.231 16.453 1.00 0.00 C ATOM 1770 CG ARG A 111 -10.481 -0.721 15.121 1.00 0.00 C ATOM 1771 CD ARG A 111 -9.442 0.365 15.295 1.00 0.00 C ATOM 1772 NE ARG A 111 -9.993 1.559 15.932 1.00 0.00 N ATOM 1773 CZ ARG A 111 -9.372 2.735 15.979 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -8.188 2.889 15.395 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -9.940 3.759 16.603 1.00 0.00 N ATOM 0 H ARG A 111 -10.808 -3.253 14.965 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.354 -2.649 17.320 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.373 -0.389 17.033 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -10.162 -1.656 17.014 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.050 -1.548 14.557 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.315 -0.335 14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.617 -0.017 15.896 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -9.031 0.632 14.321 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.912 1.486 16.368 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.753 2.105 14.909 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.714 3.792 15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -10.852 3.644 17.046 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.465 4.661 16.640 1.00 0.00 H new ATOM 1789 N MET A 112 -13.442 -1.719 14.396 1.00 0.00 N ATOM 1790 CA MET A 112 -14.565 -1.152 13.668 1.00 0.00 C ATOM 1791 C MET A 112 -15.795 -2.018 13.842 1.00 0.00 C ATOM 1792 O MET A 112 -16.912 -1.518 13.995 1.00 0.00 O ATOM 1793 CB MET A 112 -14.202 -1.023 12.199 1.00 0.00 C ATOM 1794 CG MET A 112 -15.262 -0.406 11.333 1.00 0.00 C ATOM 1795 SD MET A 112 -14.702 -0.206 9.639 1.00 0.00 S ATOM 1796 CE MET A 112 -14.305 -1.908 9.220 1.00 0.00 C ATOM 0 H MET A 112 -12.737 -2.155 13.801 1.00 0.00 H new ATOM 0 HA MET A 112 -14.790 -0.162 14.065 1.00 0.00 H new ATOM 0 HB2 MET A 112 -13.294 -0.426 12.116 1.00 0.00 H new ATOM 0 HB3 MET A 112 -13.968 -2.014 11.810 1.00 0.00 H new ATOM 0 HG2 MET A 112 -16.155 -1.031 11.350 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.545 0.565 11.740 1.00 0.00 H new ATOM 0 HE1 MET A 112 -14.576 -2.100 8.182 1.00 0.00 H new ATOM 0 HE2 MET A 112 -13.236 -2.075 9.352 1.00 0.00 H new ATOM 0 HE3 MET A 112 -14.861 -2.582 9.871 1.00 0.00 H new ATOM 1806 N LYS A 113 -15.570 -3.315 13.827 1.00 0.00 N ATOM 1807 CA LYS A 113 -16.623 -4.294 14.045 1.00 0.00 C ATOM 1808 C LYS A 113 -17.224 -4.073 15.422 1.00 0.00 C ATOM 1809 O LYS A 113 -18.438 -4.153 15.602 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.035 -5.726 13.918 1.00 0.00 C ATOM 1811 CG LYS A 113 -17.036 -6.893 14.062 1.00 0.00 C ATOM 1812 CD LYS A 113 -17.466 -7.142 15.516 1.00 0.00 C ATOM 1813 CE LYS A 113 -16.270 -7.379 16.438 1.00 0.00 C ATOM 1814 NZ LYS A 113 -15.484 -8.575 16.049 1.00 0.00 N ATOM 0 H LYS A 113 -14.650 -3.725 13.663 1.00 0.00 H new ATOM 0 HA LYS A 113 -17.407 -4.180 13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.548 -5.811 12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.259 -5.845 14.674 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.919 -6.683 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -16.586 -7.801 13.662 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -18.037 -6.286 15.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -18.129 -8.006 15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.623 -6.502 16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -16.622 -7.497 17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.519 -9.278 16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.885 -8.987 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.496 -8.300 15.876 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.356 -3.776 16.387 1.00 0.00 N ATOM 1829 CA GLN A 114 -16.778 -3.534 17.754 1.00 0.00 C ATOM 1830 C GLN A 114 -17.749 -2.363 17.805 1.00 0.00 C ATOM 1831 O GLN A 114 -18.849 -2.496 18.321 1.00 0.00 O ATOM 1832 CB GLN A 114 -15.553 -3.272 18.652 1.00 0.00 C ATOM 1833 CG GLN A 114 -15.834 -3.360 20.155 1.00 0.00 C ATOM 1834 CD GLN A 114 -16.549 -2.141 20.717 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -16.358 -1.013 20.250 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -17.379 -2.363 21.712 1.00 0.00 N ATOM 0 H GLN A 114 -15.350 -3.698 16.240 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.291 -4.420 18.128 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.773 -3.990 18.399 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.159 -2.281 18.427 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.437 -4.246 20.351 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.891 -3.493 20.685 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.507 -3.310 22.067 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.895 -1.588 22.128 1.00 0.00 H new ATOM 1845 N GLU A 115 -17.341 -1.223 17.243 1.00 0.00 N ATOM 1846 CA GLU A 115 -18.185 -0.029 17.234 1.00 0.00 C ATOM 1847 C GLU A 115 -19.527 -0.302 16.561 1.00 0.00 C ATOM 1848 O GLU A 115 -20.579 0.105 17.064 1.00 0.00 O ATOM 1849 CB GLU A 115 -17.480 1.135 16.535 1.00 0.00 C ATOM 1850 CG GLU A 115 -18.292 2.422 16.549 1.00 0.00 C ATOM 1851 CD GLU A 115 -17.579 3.578 15.897 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -17.997 4.003 14.798 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -16.605 4.085 16.485 1.00 0.00 O ATOM 0 H GLU A 115 -16.435 -1.103 16.790 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.370 0.244 18.273 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -16.520 1.313 17.019 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.270 0.857 15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.240 2.252 16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.529 2.684 17.580 1.00 0.00 H new ATOM 1860 N GLU A 116 -19.480 -1.005 15.435 1.00 0.00 N ATOM 1861 CA GLU A 116 -20.681 -1.334 14.682 1.00 0.00 C ATOM 1862 C GLU A 116 -21.638 -2.155 15.540 1.00 0.00 C ATOM 1863 O GLU A 116 -22.763 -1.729 15.824 1.00 0.00 O ATOM 1864 CB GLU A 116 -20.310 -2.098 13.402 1.00 0.00 C ATOM 1865 CG GLU A 116 -21.493 -2.421 12.499 1.00 0.00 C ATOM 1866 CD GLU A 116 -22.309 -1.195 12.145 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -23.540 -1.304 12.056 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.719 -0.107 11.985 1.00 0.00 O ATOM 0 H GLU A 116 -18.617 -1.359 15.023 1.00 0.00 H new ATOM 0 HA GLU A 116 -21.183 -0.409 14.400 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.588 -1.508 12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.815 -3.029 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.129 -2.887 11.583 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -22.135 -3.149 12.994 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.175 -3.323 15.946 1.00 0.00 N ATOM 1876 CA GLU A 117 -21.948 -4.217 16.794 1.00 0.00 C ATOM 1877 C GLU A 117 -22.426 -3.506 18.070 1.00 0.00 C ATOM 1878 O GLU A 117 -23.558 -3.699 18.505 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.117 -5.454 17.149 1.00 0.00 C ATOM 1880 CG GLU A 117 -21.893 -6.533 17.883 1.00 0.00 C ATOM 1881 CD GLU A 117 -21.056 -7.760 18.157 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -20.980 -8.646 17.276 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -20.474 -7.854 19.253 1.00 0.00 O ATOM 0 H GLU A 117 -20.252 -3.680 15.698 1.00 0.00 H new ATOM 0 HA GLU A 117 -22.832 -4.530 16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.706 -5.877 16.233 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -20.272 -5.146 17.765 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -22.264 -6.132 18.826 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -22.764 -6.816 17.292 1.00 0.00 H new ATOM 1890 N ALA A 118 -21.569 -2.665 18.641 1.00 0.00 N ATOM 1891 CA ALA A 118 -21.894 -1.949 19.872 1.00 0.00 C ATOM 1892 C ALA A 118 -23.056 -0.975 19.692 1.00 0.00 C ATOM 1893 O ALA A 118 -23.972 -0.937 20.518 1.00 0.00 O ATOM 1894 CB ALA A 118 -20.673 -1.217 20.406 1.00 0.00 C ATOM 0 H ALA A 118 -20.641 -2.462 18.270 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.209 -2.699 20.598 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.937 -0.690 21.323 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -19.881 -1.936 20.615 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.325 -0.500 19.663 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.039 -0.191 18.612 1.00 0.00 N ATOM 1901 CA HIS A 119 -24.103 0.791 18.409 1.00 0.00 C ATOM 1902 C HIS A 119 -25.379 0.124 17.907 1.00 0.00 C ATOM 1903 O HIS A 119 -26.479 0.616 18.144 1.00 0.00 O ATOM 1904 CB HIS A 119 -23.669 1.968 17.489 1.00 0.00 C ATOM 1905 CG HIS A 119 -23.599 1.669 16.013 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -24.709 1.644 15.193 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.543 1.420 15.208 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -24.333 1.391 13.953 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -23.028 1.253 13.935 1.00 0.00 N ATOM 0 H HIS A 119 -22.323 -0.214 17.885 1.00 0.00 H new ATOM 0 HA HIS A 119 -24.315 1.230 19.384 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -24.364 2.794 17.639 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -22.688 2.314 17.815 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -21.508 1.363 15.510 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -24.988 1.311 13.098 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -22.465 1.054 13.108 1.00 0.00 H new