USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 78 SER OG : rot 180:sc= 0.298 USER MOD Set 1.2: A 80 CYS SG : rot 93:sc= -0.208 USER MOD Set 2.1: A 5 MET CE :methyl 167:sc= -0.209 (180deg=-0.677) USER MOD Set 2.2: A 35 CYS SG : rot -95:sc= 0.524 USER MOD Set 2.3: A 69 ASN : amide:sc= 0.282 K(o=0.77,f=0.0035) USER MOD Set 2.4: A 73 TYR OH : rot 30:sc= 0.168 USER MOD Set 3.1: A 43 HIS : no HD1:sc= -0.0655 K(o=-0.066,f=-3.6) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 LYS NZ :NH3+ 160:sc= 0.787 (180deg=0) USER MOD Set 4.2: A 131 SER OG : rot -116:sc= 0.721 USER MOD Set 5.1: A 16 GLN : amide:sc= 1.74 K(o=4.9,f=-3.3) USER MOD Set 5.2: A 23 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.876) USER MOD Set 5.3: A 60 GLN : amide:sc= 1.98 K(o=4.9,f=-1.5!) USER MOD Set 6.1: A 12 SER OG : rot 78:sc= 0.501 USER MOD Set 6.2: A 13 CYS SG : rot 180:sc= 0.408 USER MOD Set 7.1: A 11 ASN : amide:sc= 0.793 K(o=2,f=-4.3!) USER MOD Set 7.2: A 15 SER OG : rot -55:sc= 0.751 USER MOD Set 7.3: A 34 SER OG : rot 60:sc= 0.49 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.029 (180deg=-0.47) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.28 (180deg=0.731) USER MOD Single : A 2 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.739) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 8 CYS SG : rot 171:sc= 0.0368 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.23) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.608 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.234 USER MOD Single : A 49 MET CE :methyl 171:sc= -0.498 (180deg=-0.73) USER MOD Single : A 50 MET CE :methyl -142:sc= -0.258 (180deg=-2.74) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.504 USER MOD Single : A 62 SER OG : rot -46:sc= 0.609 USER MOD Single : A 67 ASN : amide:sc= 0.756 K(o=0.76,f=-0.17) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.00401 USER MOD Single : A 85 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.118 K(o=-0.12,f=-5.5!) USER MOD Single : A 100 GLN : amide:sc= 1 K(o=1,f=-0.48) USER MOD Single : A 107 GLN : amide:sc= 0.292 K(o=0.29,f=-0.72) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 114 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 118 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.15) USER MOD Single : A 125 ASN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.130 -0.159 1.559 1.00 0.00 N ATOM 2 CA MET A 1 2.554 -0.019 0.139 1.00 0.00 C ATOM 3 C MET A 1 2.516 1.447 -0.309 1.00 0.00 C ATOM 4 O MET A 1 1.459 2.071 -0.242 1.00 0.00 O ATOM 5 CB MET A 1 1.714 -0.905 -0.808 1.00 0.00 C ATOM 6 CG MET A 1 2.274 -0.915 -2.239 1.00 0.00 C ATOM 7 SD MET A 1 1.356 -2.026 -3.344 1.00 0.00 S ATOM 8 CE MET A 1 2.536 -2.151 -4.710 1.00 0.00 C ATOM 0 H1 MET A 1 1.807 -1.133 1.731 1.00 0.00 H new ATOM 0 H2 MET A 1 2.933 0.055 2.184 1.00 0.00 H new ATOM 0 H3 MET A 1 1.353 0.503 1.756 1.00 0.00 H new ATOM 0 HA MET A 1 3.585 -0.368 0.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.688 -1.924 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.686 -0.544 -0.824 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.246 0.097 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.321 -1.219 -2.213 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.009 -2.435 -5.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.024 -1.188 -4.858 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.286 -2.906 -4.475 1.00 0.00 H new ATOM 18 N LYS A 2 3.643 1.988 -0.797 1.00 0.00 N ATOM 19 CA LYS A 2 3.750 3.341 -1.404 1.00 0.00 C ATOM 20 C LYS A 2 4.439 3.306 -2.776 1.00 0.00 C ATOM 21 O LYS A 2 5.019 2.289 -3.151 1.00 0.00 O ATOM 22 CB LYS A 2 4.434 4.294 -0.398 1.00 0.00 C ATOM 23 CG LYS A 2 3.500 4.590 0.789 1.00 0.00 C ATOM 24 CD LYS A 2 4.108 5.535 1.835 1.00 0.00 C ATOM 25 CE LYS A 2 3.070 5.792 2.941 1.00 0.00 C ATOM 26 NZ LYS A 2 3.660 6.530 4.089 1.00 0.00 N ATOM 0 H LYS A 2 4.533 1.490 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 2 2.751 3.727 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.360 3.846 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.704 5.225 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.576 5.027 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.234 3.650 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.010 5.095 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.401 6.475 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.236 6.362 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.666 4.841 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.935 7.138 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.008 5.851 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.450 7.117 3.755 1.00 0.00 H new ATOM 40 N LYS A 3 4.353 4.396 -3.547 1.00 0.00 N ATOM 41 CA LYS A 3 4.936 4.516 -4.901 1.00 0.00 C ATOM 42 C LYS A 3 6.191 5.387 -4.901 1.00 0.00 C ATOM 43 O LYS A 3 6.217 6.447 -4.280 1.00 0.00 O ATOM 44 CB LYS A 3 3.907 5.007 -5.941 1.00 0.00 C ATOM 45 CG LYS A 3 2.694 4.069 -6.116 1.00 0.00 C ATOM 46 CD LYS A 3 1.513 4.312 -5.160 1.00 0.00 C ATOM 47 CE LYS A 3 0.912 5.702 -5.393 1.00 0.00 C ATOM 48 NZ LYS A 3 0.265 6.251 -4.171 1.00 0.00 N ATOM 0 H LYS A 3 3.867 5.241 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 3 5.234 3.512 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.550 5.994 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.405 5.123 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.332 4.162 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.033 3.041 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.750 3.549 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.849 4.223 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.696 6.383 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.178 5.648 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.126 7.192 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.501 5.616 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.970 6.329 -3.410 1.00 0.00 H new ATOM 62 N VAL A 4 7.211 4.952 -5.637 1.00 0.00 N ATOM 63 CA VAL A 4 8.514 5.640 -5.765 1.00 0.00 C ATOM 64 C VAL A 4 8.831 5.894 -7.242 1.00 0.00 C ATOM 65 O VAL A 4 8.578 5.046 -8.092 1.00 0.00 O ATOM 66 CB VAL A 4 9.657 4.889 -5.041 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.917 5.755 -4.938 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.281 4.428 -3.626 1.00 0.00 C ATOM 0 H VAL A 4 7.163 4.089 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 4 8.435 6.604 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 4 9.847 4.008 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.700 5.198 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.258 6.022 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.690 6.662 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.127 3.909 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.022 5.295 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.427 3.753 -3.678 1.00 0.00 H new ATOM 78 N MET A 5 9.386 7.060 -7.561 1.00 0.00 N ATOM 79 CA MET A 5 9.710 7.463 -8.935 1.00 0.00 C ATOM 80 C MET A 5 11.123 8.033 -8.988 1.00 0.00 C ATOM 81 O MET A 5 11.488 8.863 -8.157 1.00 0.00 O ATOM 82 CB MET A 5 8.645 8.448 -9.438 1.00 0.00 C ATOM 83 CG MET A 5 9.010 9.165 -10.743 1.00 0.00 C ATOM 84 SD MET A 5 9.328 8.119 -12.189 1.00 0.00 S ATOM 85 CE MET A 5 7.953 8.615 -13.259 1.00 0.00 C ATOM 0 H MET A 5 9.629 7.765 -6.865 1.00 0.00 H new ATOM 0 HA MET A 5 9.695 6.601 -9.602 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.709 7.909 -9.584 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.465 9.195 -8.665 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.200 9.851 -10.992 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.897 9.771 -10.561 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.126 8.244 -14.269 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.023 8.198 -12.873 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.882 9.702 -13.279 1.00 0.00 H new ATOM 95 N PHE A 6 11.908 7.600 -9.972 1.00 0.00 N ATOM 96 CA PHE A 6 13.313 8.001 -10.124 1.00 0.00 C ATOM 97 C PHE A 6 13.488 9.031 -11.250 1.00 0.00 C ATOM 98 O PHE A 6 12.888 8.885 -12.309 1.00 0.00 O ATOM 99 CB PHE A 6 14.184 6.742 -10.305 1.00 0.00 C ATOM 100 CG PHE A 6 13.960 5.701 -9.220 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.600 5.809 -7.972 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.034 4.666 -9.436 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.278 4.923 -6.927 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.699 3.794 -8.389 1.00 0.00 C ATOM 105 CZ PHE A 6 13.303 3.932 -7.129 1.00 0.00 C ATOM 0 H PHE A 6 11.588 6.955 -10.695 1.00 0.00 H new ATOM 0 HA PHE A 6 13.649 8.508 -9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.971 6.297 -11.277 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.235 7.032 -10.311 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.343 6.577 -7.815 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.580 4.542 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.779 5.005 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.972 3.012 -8.553 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.019 3.278 -6.318 1.00 0.00 H new ATOM 115 N VAL A 7 14.338 10.038 -11.034 1.00 0.00 N ATOM 116 CA VAL A 7 14.745 11.074 -12.002 1.00 0.00 C ATOM 117 C VAL A 7 16.260 11.043 -12.219 1.00 0.00 C ATOM 118 O VAL A 7 17.033 11.116 -11.273 1.00 0.00 O ATOM 119 CB VAL A 7 14.234 12.483 -11.583 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.106 13.644 -12.079 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.840 12.722 -12.170 1.00 0.00 C ATOM 0 H VAL A 7 14.790 10.164 -10.128 1.00 0.00 H new ATOM 0 HA VAL A 7 14.274 10.851 -12.959 1.00 0.00 H new ATOM 0 HB VAL A 7 14.249 12.475 -10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.679 14.589 -11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.114 13.539 -11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.145 13.630 -13.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.485 13.709 -11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.888 12.664 -13.257 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.153 11.963 -11.796 1.00 0.00 H new ATOM 131 N CYS A 8 16.689 10.989 -13.478 1.00 0.00 N ATOM 132 CA CYS A 8 18.084 11.175 -13.913 1.00 0.00 C ATOM 133 C CYS A 8 18.109 12.259 -15.009 1.00 0.00 C ATOM 134 O CYS A 8 17.062 12.584 -15.567 1.00 0.00 O ATOM 135 CB CYS A 8 18.616 9.785 -14.318 1.00 0.00 C ATOM 136 SG CYS A 8 20.261 9.797 -15.102 1.00 0.00 S ATOM 0 H CYS A 8 16.056 10.808 -14.257 1.00 0.00 H new ATOM 0 HA CYS A 8 18.754 11.546 -13.137 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.656 9.154 -13.430 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.905 9.325 -15.004 1.00 0.00 H new ATOM 0 HG CYS A 8 20.691 8.577 -15.228 1.00 0.00 H new ATOM 142 N LYS A 9 19.276 12.815 -15.363 1.00 0.00 N ATOM 143 CA LYS A 9 19.358 13.968 -16.295 1.00 0.00 C ATOM 144 C LYS A 9 18.839 13.633 -17.705 1.00 0.00 C ATOM 145 O LYS A 9 18.210 14.476 -18.322 1.00 0.00 O ATOM 146 CB LYS A 9 20.793 14.559 -16.258 1.00 0.00 C ATOM 147 CG LYS A 9 20.865 16.099 -16.347 1.00 0.00 C ATOM 148 CD LYS A 9 21.416 16.676 -17.664 1.00 0.00 C ATOM 149 CE LYS A 9 20.434 16.560 -18.841 1.00 0.00 C ATOM 150 NZ LYS A 9 20.873 17.378 -20.008 1.00 0.00 N ATOM 0 H LYS A 9 20.181 12.491 -15.022 1.00 0.00 H new ATOM 0 HA LYS A 9 18.679 14.751 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.278 14.240 -15.335 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.366 14.135 -17.082 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.863 16.499 -16.190 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.485 16.461 -15.527 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.669 17.726 -17.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.341 16.158 -17.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.347 15.516 -19.141 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.443 16.884 -18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.117 17.398 -20.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.079 18.348 -19.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.730 16.959 -20.423 1.00 0.00 H new ATOM 164 N ARG A 10 19.052 12.393 -18.173 1.00 0.00 N ATOM 165 CA ARG A 10 18.495 11.862 -19.455 1.00 0.00 C ATOM 166 C ARG A 10 17.843 10.463 -19.422 1.00 0.00 C ATOM 167 O ARG A 10 17.549 9.903 -20.471 1.00 0.00 O ATOM 168 CB ARG A 10 19.498 12.081 -20.614 1.00 0.00 C ATOM 169 CG ARG A 10 20.697 11.120 -20.740 1.00 0.00 C ATOM 170 CD ARG A 10 21.721 11.221 -19.607 1.00 0.00 C ATOM 171 NE ARG A 10 22.979 10.522 -19.945 1.00 0.00 N ATOM 172 CZ ARG A 10 23.995 10.317 -19.124 1.00 0.00 C ATOM 173 NH1 ARG A 10 23.987 10.746 -17.900 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.041 9.653 -19.495 1.00 0.00 N ATOM 0 H ARG A 10 19.623 11.711 -17.674 1.00 0.00 H new ATOM 0 HA ARG A 10 17.610 12.468 -19.648 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.939 12.038 -21.549 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.892 13.093 -20.524 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.322 10.097 -20.782 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.202 11.314 -21.686 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.932 12.270 -19.399 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.300 10.794 -18.697 1.00 0.00 H new ATOM 0 HE ARG A 10 23.071 10.166 -20.896 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.180 11.259 -17.545 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.788 10.571 -17.293 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.095 9.274 -20.440 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.811 9.509 -18.842 1.00 0.00 H new ATOM 188 N ASN A 11 17.642 9.889 -18.230 1.00 0.00 N ATOM 189 CA ASN A 11 17.022 8.565 -17.962 1.00 0.00 C ATOM 190 C ASN A 11 17.599 7.368 -18.740 1.00 0.00 C ATOM 191 O ASN A 11 16.886 6.415 -19.060 1.00 0.00 O ATOM 192 CB ASN A 11 15.494 8.727 -18.034 1.00 0.00 C ATOM 193 CG ASN A 11 14.657 7.574 -17.497 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.661 7.214 -18.091 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.982 6.992 -16.364 1.00 0.00 N ATOM 0 H ASN A 11 17.921 10.357 -17.368 1.00 0.00 H new ATOM 0 HA ASN A 11 17.300 8.263 -16.952 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.222 9.629 -17.486 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.218 8.891 -19.076 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.399 6.243 -15.990 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.817 7.289 -15.859 1.00 0.00 H new ATOM 202 N SER A 12 18.895 7.420 -19.045 1.00 0.00 N ATOM 203 CA SER A 12 19.665 6.340 -19.681 1.00 0.00 C ATOM 204 C SER A 12 20.244 5.347 -18.670 1.00 0.00 C ATOM 205 O SER A 12 20.328 4.155 -18.953 1.00 0.00 O ATOM 206 CB SER A 12 20.803 6.996 -20.458 1.00 0.00 C ATOM 207 OG SER A 12 21.464 7.866 -19.549 1.00 0.00 O ATOM 0 H SER A 12 19.463 8.244 -18.851 1.00 0.00 H new ATOM 0 HA SER A 12 18.999 5.769 -20.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.491 6.245 -20.846 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.419 7.549 -21.315 1.00 0.00 H new ATOM 0 HG SER A 12 22.043 7.342 -18.957 1.00 0.00 H new ATOM 213 N CYS A 13 20.657 5.855 -17.501 1.00 0.00 N ATOM 214 CA CYS A 13 21.430 5.151 -16.467 1.00 0.00 C ATOM 215 C CYS A 13 21.007 5.607 -15.057 1.00 0.00 C ATOM 216 O CYS A 13 20.181 6.508 -14.923 1.00 0.00 O ATOM 217 CB CYS A 13 22.926 5.389 -16.793 1.00 0.00 C ATOM 218 SG CYS A 13 23.330 7.165 -16.878 1.00 0.00 S ATOM 0 H CYS A 13 20.450 6.818 -17.237 1.00 0.00 H new ATOM 0 HA CYS A 13 21.239 4.078 -16.469 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.544 4.912 -16.032 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.170 4.915 -17.744 1.00 0.00 H new ATOM 0 HG CYS A 13 24.593 7.310 -17.151 1.00 0.00 H new ATOM 224 N ARG A 14 21.539 4.986 -13.995 1.00 0.00 N ATOM 225 CA ARG A 14 21.171 5.181 -12.560 1.00 0.00 C ATOM 226 C ARG A 14 19.693 4.952 -12.251 1.00 0.00 C ATOM 227 O ARG A 14 19.334 3.883 -11.790 1.00 0.00 O ATOM 228 CB ARG A 14 21.738 6.525 -12.032 1.00 0.00 C ATOM 229 CG ARG A 14 23.275 6.523 -12.006 1.00 0.00 C ATOM 230 CD ARG A 14 23.860 7.687 -11.194 1.00 0.00 C ATOM 231 NE ARG A 14 23.458 8.999 -11.744 1.00 0.00 N ATOM 232 CZ ARG A 14 23.951 9.621 -12.799 1.00 0.00 C ATOM 233 NH1 ARG A 14 25.029 9.227 -13.393 1.00 0.00 N ATOM 234 NH2 ARG A 14 23.346 10.665 -13.278 1.00 0.00 N ATOM 0 H ARG A 14 22.280 4.293 -14.106 1.00 0.00 H new ATOM 0 HA ARG A 14 21.654 4.385 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.386 7.341 -12.663 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.357 6.711 -11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.625 5.581 -11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.651 6.574 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.528 7.610 -10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.948 7.614 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 14 22.709 9.482 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.531 8.408 -13.049 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.378 9.735 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.490 11.004 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.727 11.146 -14.093 1.00 0.00 H new ATOM 248 N SER A 15 18.827 5.901 -12.594 1.00 0.00 N ATOM 249 CA SER A 15 17.349 5.852 -12.450 1.00 0.00 C ATOM 250 C SER A 15 16.713 4.541 -12.914 1.00 0.00 C ATOM 251 O SER A 15 15.853 3.993 -12.235 1.00 0.00 O ATOM 252 CB SER A 15 16.746 7.021 -13.242 1.00 0.00 C ATOM 253 OG SER A 15 17.204 6.975 -14.595 1.00 0.00 O ATOM 0 H SER A 15 19.141 6.780 -13.004 1.00 0.00 H new ATOM 0 HA SER A 15 17.132 5.925 -11.384 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.658 6.968 -13.215 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.031 7.968 -12.784 1.00 0.00 H new ATOM 0 HG SER A 15 18.184 6.967 -14.609 1.00 0.00 H new ATOM 259 N GLN A 16 17.156 4.011 -14.051 1.00 0.00 N ATOM 260 CA GLN A 16 16.631 2.745 -14.609 1.00 0.00 C ATOM 261 C GLN A 16 17.071 1.537 -13.757 1.00 0.00 C ATOM 262 O GLN A 16 16.302 0.611 -13.532 1.00 0.00 O ATOM 263 CB GLN A 16 17.132 2.603 -16.061 1.00 0.00 C ATOM 264 CG GLN A 16 16.639 3.714 -17.013 1.00 0.00 C ATOM 265 CD GLN A 16 15.189 3.565 -17.463 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.421 2.734 -17.001 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.784 4.374 -18.410 1.00 0.00 N ATOM 0 H GLN A 16 17.888 4.438 -14.619 1.00 0.00 H new ATOM 0 HA GLN A 16 15.541 2.767 -14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.222 2.600 -16.059 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.811 1.637 -16.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.755 4.678 -16.517 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.280 3.730 -17.895 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.424 5.068 -18.796 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.829 4.310 -18.761 1.00 0.00 H new ATOM 276 N MET A 17 18.296 1.575 -13.212 1.00 0.00 N ATOM 277 CA MET A 17 18.844 0.543 -12.305 1.00 0.00 C ATOM 278 C MET A 17 18.220 0.632 -10.902 1.00 0.00 C ATOM 279 O MET A 17 17.976 -0.394 -10.277 1.00 0.00 O ATOM 280 CB MET A 17 20.384 0.673 -12.263 1.00 0.00 C ATOM 281 CG MET A 17 21.034 0.426 -13.638 1.00 0.00 C ATOM 282 SD MET A 17 22.314 1.629 -14.095 1.00 0.00 S ATOM 283 CE MET A 17 23.697 1.041 -13.081 1.00 0.00 C ATOM 0 H MET A 17 18.950 2.337 -13.390 1.00 0.00 H new ATOM 0 HA MET A 17 18.585 -0.444 -12.688 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.652 1.669 -11.912 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.786 -0.038 -11.541 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.473 -0.572 -13.644 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.255 0.436 -14.401 1.00 0.00 H new ATOM 0 HE1 MET A 17 24.566 1.677 -13.247 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.417 1.077 -12.028 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.940 0.015 -13.357 1.00 0.00 H new ATOM 293 N ALA A 18 17.866 1.837 -10.438 1.00 0.00 N ATOM 294 CA ALA A 18 17.101 2.057 -9.198 1.00 0.00 C ATOM 295 C ALA A 18 15.700 1.442 -9.287 1.00 0.00 C ATOM 296 O ALA A 18 15.285 0.718 -8.388 1.00 0.00 O ATOM 297 CB ALA A 18 17.058 3.567 -8.920 1.00 0.00 C ATOM 0 H ALA A 18 18.106 2.703 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 18 17.592 1.555 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.496 3.753 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.074 3.945 -8.804 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.574 4.077 -9.753 1.00 0.00 H new ATOM 303 N GLU A 19 15.018 1.637 -10.422 1.00 0.00 N ATOM 304 CA GLU A 19 13.756 0.948 -10.733 1.00 0.00 C ATOM 305 C GLU A 19 13.958 -0.577 -10.793 1.00 0.00 C ATOM 306 O GLU A 19 13.204 -1.313 -10.159 1.00 0.00 O ATOM 307 CB GLU A 19 13.181 1.569 -12.019 1.00 0.00 C ATOM 308 CG GLU A 19 11.713 1.240 -12.320 1.00 0.00 C ATOM 309 CD GLU A 19 11.468 -0.175 -12.876 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.349 -0.712 -13.590 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.365 -0.727 -12.665 1.00 0.00 O ATOM 0 H GLU A 19 15.325 2.278 -11.153 1.00 0.00 H new ATOM 0 HA GLU A 19 13.021 1.090 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.285 2.652 -11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.788 1.239 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.133 1.361 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.332 1.968 -13.037 1.00 0.00 H new ATOM 318 N GLY A 20 15.047 -1.045 -11.419 1.00 0.00 N ATOM 319 CA GLY A 20 15.485 -2.447 -11.440 1.00 0.00 C ATOM 320 C GLY A 20 15.643 -3.092 -10.061 1.00 0.00 C ATOM 321 O GLY A 20 15.099 -4.167 -9.811 1.00 0.00 O ATOM 0 H GLY A 20 15.671 -0.433 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.766 -3.029 -12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.438 -2.507 -11.965 1.00 0.00 H new ATOM 325 N PHE A 21 16.338 -2.445 -9.123 1.00 0.00 N ATOM 326 CA PHE A 21 16.466 -2.970 -7.761 1.00 0.00 C ATOM 327 C PHE A 21 15.152 -2.884 -7.002 1.00 0.00 C ATOM 328 O PHE A 21 14.723 -3.867 -6.410 1.00 0.00 O ATOM 329 CB PHE A 21 17.608 -2.259 -7.018 1.00 0.00 C ATOM 330 CG PHE A 21 18.964 -2.754 -7.463 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.310 -4.098 -7.240 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.863 -1.899 -8.120 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.539 -4.595 -7.691 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.099 -2.394 -8.567 1.00 0.00 C ATOM 335 CZ PHE A 21 21.436 -3.746 -8.356 1.00 0.00 C ATOM 0 H PHE A 21 16.819 -1.560 -9.280 1.00 0.00 H new ATOM 0 HA PHE A 21 16.718 -4.029 -7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.539 -1.185 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.498 -2.418 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.625 -4.750 -6.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.605 -0.863 -8.281 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.796 -5.631 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.792 -1.738 -9.073 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.384 -4.128 -8.706 1.00 0.00 H new ATOM 345 N ALA A 22 14.466 -1.745 -7.058 1.00 0.00 N ATOM 346 CA ALA A 22 13.232 -1.538 -6.302 1.00 0.00 C ATOM 347 C ALA A 22 12.103 -2.491 -6.729 1.00 0.00 C ATOM 348 O ALA A 22 11.451 -3.063 -5.860 1.00 0.00 O ATOM 349 CB ALA A 22 12.849 -0.064 -6.429 1.00 0.00 C ATOM 0 H ALA A 22 14.747 -0.944 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 22 13.400 -1.781 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.930 0.122 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.649 0.556 -6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.695 0.183 -7.479 1.00 0.00 H new ATOM 355 N LYS A 23 11.922 -2.769 -8.028 1.00 0.00 N ATOM 356 CA LYS A 23 10.866 -3.690 -8.509 1.00 0.00 C ATOM 357 C LYS A 23 11.061 -5.135 -8.027 1.00 0.00 C ATOM 358 O LYS A 23 10.098 -5.883 -7.890 1.00 0.00 O ATOM 359 CB LYS A 23 10.762 -3.601 -10.044 1.00 0.00 C ATOM 360 CG LYS A 23 11.818 -4.432 -10.797 1.00 0.00 C ATOM 361 CD LYS A 23 12.143 -3.921 -12.206 1.00 0.00 C ATOM 362 CE LYS A 23 10.950 -3.904 -13.166 1.00 0.00 C ATOM 363 NZ LYS A 23 11.311 -3.193 -14.422 1.00 0.00 N ATOM 0 H LYS A 23 12.493 -2.370 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 23 9.920 -3.370 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.770 -3.932 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.856 -2.557 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.736 -4.448 -10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.468 -5.462 -10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.545 -2.911 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.928 -4.545 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.642 -4.925 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.100 -3.412 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.445 -2.934 -14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.848 -2.333 -14.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.893 -3.815 -15.018 1.00 0.00 H new ATOM 377 N THR A 24 12.315 -5.495 -7.756 1.00 0.00 N ATOM 378 CA THR A 24 12.750 -6.826 -7.289 1.00 0.00 C ATOM 379 C THR A 24 12.744 -6.930 -5.758 1.00 0.00 C ATOM 380 O THR A 24 12.135 -7.838 -5.197 1.00 0.00 O ATOM 381 CB THR A 24 14.152 -7.147 -7.832 1.00 0.00 C ATOM 382 OG1 THR A 24 14.214 -6.923 -9.225 1.00 0.00 O ATOM 383 CG2 THR A 24 14.545 -8.604 -7.602 1.00 0.00 C ATOM 0 H THR A 24 13.094 -4.845 -7.858 1.00 0.00 H new ATOM 0 HA THR A 24 12.035 -7.555 -7.671 1.00 0.00 H new ATOM 0 HB THR A 24 14.835 -6.491 -7.292 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.492 -5.999 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.543 -8.779 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.541 -8.818 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.832 -9.257 -8.105 1.00 0.00 H new ATOM 391 N LEU A 25 13.405 -5.988 -5.070 1.00 0.00 N ATOM 392 CA LEU A 25 13.631 -6.012 -3.611 1.00 0.00 C ATOM 393 C LEU A 25 12.417 -5.486 -2.832 1.00 0.00 C ATOM 394 O LEU A 25 12.132 -5.944 -1.727 1.00 0.00 O ATOM 395 CB LEU A 25 14.904 -5.194 -3.286 1.00 0.00 C ATOM 396 CG LEU A 25 16.171 -5.658 -4.032 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.319 -4.719 -3.688 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.581 -7.084 -3.668 1.00 0.00 C ATOM 0 H LEU A 25 13.809 -5.167 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 25 13.772 -7.046 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.719 -4.147 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.090 -5.246 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 25 15.945 -5.640 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.220 -5.039 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.063 -3.704 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.497 -4.740 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.479 -7.357 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.783 -7.143 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.774 -7.771 -3.923 1.00 0.00 H new ATOM 410 N GLY A 26 11.686 -4.541 -3.436 1.00 0.00 N ATOM 411 CA GLY A 26 10.444 -3.959 -2.932 1.00 0.00 C ATOM 412 C GLY A 26 9.180 -4.599 -3.498 1.00 0.00 C ATOM 413 O GLY A 26 8.109 -4.036 -3.305 1.00 0.00 O ATOM 0 H GLY A 26 11.962 -4.144 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.428 -4.049 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.434 -2.894 -3.164 1.00 0.00 H new ATOM 417 N ALA A 27 9.265 -5.740 -4.189 1.00 0.00 N ATOM 418 CA ALA A 27 8.103 -6.414 -4.786 1.00 0.00 C ATOM 419 C ALA A 27 6.942 -6.613 -3.777 1.00 0.00 C ATOM 420 O ALA A 27 7.077 -7.340 -2.789 1.00 0.00 O ATOM 421 CB ALA A 27 8.570 -7.759 -5.363 1.00 0.00 C ATOM 0 H ALA A 27 10.146 -6.227 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 27 7.701 -5.781 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.722 -8.277 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.332 -7.584 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.988 -8.372 -4.565 1.00 0.00 H new ATOM 427 N GLY A 28 5.813 -5.926 -3.998 1.00 0.00 N ATOM 428 CA GLY A 28 4.633 -5.925 -3.113 1.00 0.00 C ATOM 429 C GLY A 28 4.723 -4.968 -1.913 1.00 0.00 C ATOM 430 O GLY A 28 3.693 -4.598 -1.349 1.00 0.00 O ATOM 0 H GLY A 28 5.689 -5.337 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.755 -5.662 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.476 -6.937 -2.741 1.00 0.00 H new ATOM 434 N LYS A 29 5.932 -4.505 -1.562 1.00 0.00 N ATOM 435 CA LYS A 29 6.178 -3.425 -0.589 1.00 0.00 C ATOM 436 C LYS A 29 5.931 -2.064 -1.233 1.00 0.00 C ATOM 437 O LYS A 29 5.392 -1.164 -0.600 1.00 0.00 O ATOM 438 CB LYS A 29 7.620 -3.510 -0.050 1.00 0.00 C ATOM 439 CG LYS A 29 7.869 -4.820 0.713 1.00 0.00 C ATOM 440 CD LYS A 29 9.338 -5.044 1.105 1.00 0.00 C ATOM 441 CE LYS A 29 9.909 -4.003 2.078 1.00 0.00 C ATOM 442 NZ LYS A 29 9.242 -4.068 3.415 1.00 0.00 N ATOM 0 H LYS A 29 6.793 -4.882 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 29 5.487 -3.544 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.323 -3.434 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.812 -2.664 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.258 -4.825 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.536 -5.656 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.433 -6.032 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.945 -5.046 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.980 -4.166 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.784 -3.005 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.849 -3.616 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.330 -3.571 3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.083 -5.062 3.675 1.00 0.00 H new ATOM 456 N ILE A 30 6.315 -1.915 -2.504 1.00 0.00 N ATOM 457 CA ILE A 30 6.178 -0.681 -3.291 1.00 0.00 C ATOM 458 C ILE A 30 5.858 -0.948 -4.771 1.00 0.00 C ATOM 459 O ILE A 30 5.937 -2.079 -5.246 1.00 0.00 O ATOM 460 CB ILE A 30 7.458 0.194 -3.154 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.816 -0.462 -3.478 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.614 0.712 -1.723 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.978 -1.063 -4.872 1.00 0.00 C ATOM 0 H ILE A 30 6.744 -2.674 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 30 5.326 -0.138 -2.882 1.00 0.00 H new ATOM 0 HB ILE A 30 7.269 0.960 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.596 0.286 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.995 -1.250 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.516 1.321 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.746 1.316 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.691 -0.132 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.976 -1.491 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.232 -1.844 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.842 -0.284 -5.622 1.00 0.00 H new ATOM 475 N ALA A 31 5.508 0.116 -5.491 1.00 0.00 N ATOM 476 CA ALA A 31 5.402 0.143 -6.957 1.00 0.00 C ATOM 477 C ALA A 31 6.316 1.264 -7.483 1.00 0.00 C ATOM 478 O ALA A 31 6.461 2.299 -6.830 1.00 0.00 O ATOM 479 CB ALA A 31 3.941 0.273 -7.407 1.00 0.00 C ATOM 0 H ALA A 31 5.282 1.013 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 31 5.742 -0.800 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.896 0.290 -8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.368 -0.576 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.519 1.197 -7.012 1.00 0.00 H new ATOM 485 N VAL A 32 6.982 1.059 -8.623 1.00 0.00 N ATOM 486 CA VAL A 32 8.043 1.944 -9.107 1.00 0.00 C ATOM 487 C VAL A 32 7.979 2.283 -10.592 1.00 0.00 C ATOM 488 O VAL A 32 7.523 1.488 -11.416 1.00 0.00 O ATOM 489 CB VAL A 32 9.416 1.359 -8.765 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.831 1.854 -7.385 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.544 -0.165 -8.841 1.00 0.00 C ATOM 0 H VAL A 32 6.798 0.268 -9.240 1.00 0.00 H new ATOM 0 HA VAL A 32 7.882 2.889 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 32 10.085 1.716 -9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.808 1.444 -7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.885 2.943 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.098 1.530 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.560 -0.458 -8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.842 -0.624 -8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.321 -0.499 -9.854 1.00 0.00 H new ATOM 501 N THR A 33 8.506 3.470 -10.909 1.00 0.00 N ATOM 502 CA THR A 33 8.588 4.039 -12.267 1.00 0.00 C ATOM 503 C THR A 33 9.935 4.755 -12.437 1.00 0.00 C ATOM 504 O THR A 33 10.465 5.299 -11.468 1.00 0.00 O ATOM 505 CB THR A 33 7.408 5.007 -12.506 1.00 0.00 C ATOM 506 OG1 THR A 33 6.185 4.412 -12.111 1.00 0.00 O ATOM 507 CG2 THR A 33 7.225 5.388 -13.978 1.00 0.00 C ATOM 0 H THR A 33 8.904 4.088 -10.202 1.00 0.00 H new ATOM 0 HA THR A 33 8.522 3.241 -13.007 1.00 0.00 H new ATOM 0 HB THR A 33 7.651 5.893 -11.920 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.450 5.040 -12.268 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.380 6.069 -14.075 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.129 5.877 -14.342 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.036 4.490 -14.566 1.00 0.00 H new ATOM 515 N SER A 34 10.510 4.772 -13.644 1.00 0.00 N ATOM 516 CA SER A 34 11.727 5.532 -13.968 1.00 0.00 C ATOM 517 C SER A 34 11.466 6.638 -15.001 1.00 0.00 C ATOM 518 O SER A 34 10.727 6.425 -15.962 1.00 0.00 O ATOM 519 CB SER A 34 12.785 4.570 -14.490 1.00 0.00 C ATOM 520 OG SER A 34 14.046 5.183 -14.336 1.00 0.00 O ATOM 0 H SER A 34 10.139 4.250 -14.438 1.00 0.00 H new ATOM 0 HA SER A 34 12.073 6.022 -13.058 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.749 3.629 -13.940 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.602 4.334 -15.538 1.00 0.00 H new ATOM 0 HG SER A 34 14.202 5.377 -13.388 1.00 0.00 H new ATOM 526 N CYS A 35 12.084 7.808 -14.815 1.00 0.00 N ATOM 527 CA CYS A 35 12.017 8.942 -15.743 1.00 0.00 C ATOM 528 C CYS A 35 13.258 9.849 -15.661 1.00 0.00 C ATOM 529 O CYS A 35 14.209 9.590 -14.921 1.00 0.00 O ATOM 530 CB CYS A 35 10.719 9.717 -15.472 1.00 0.00 C ATOM 531 SG CYS A 35 10.813 10.721 -13.969 1.00 0.00 S ATOM 0 H CYS A 35 12.659 7.998 -13.994 1.00 0.00 H new ATOM 0 HA CYS A 35 12.009 8.562 -16.765 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.500 10.362 -16.323 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.891 9.014 -15.384 1.00 0.00 H new ATOM 0 HG CYS A 35 10.313 10.055 -12.971 1.00 0.00 H new ATOM 537 N GLY A 36 13.287 10.930 -16.436 1.00 0.00 N ATOM 538 CA GLY A 36 14.297 11.985 -16.306 1.00 0.00 C ATOM 539 C GLY A 36 13.802 13.330 -16.803 1.00 0.00 C ATOM 540 O GLY A 36 12.797 13.394 -17.501 1.00 0.00 O ATOM 0 H GLY A 36 12.608 11.103 -17.177 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.592 12.074 -15.260 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.188 11.701 -16.865 1.00 0.00 H new ATOM 544 N LEU A 37 14.506 14.419 -16.486 1.00 0.00 N ATOM 545 CA LEU A 37 14.122 15.753 -16.992 1.00 0.00 C ATOM 546 C LEU A 37 14.283 15.901 -18.521 1.00 0.00 C ATOM 547 O LEU A 37 13.767 16.842 -19.121 1.00 0.00 O ATOM 548 CB LEU A 37 14.720 16.910 -16.176 1.00 0.00 C ATOM 549 CG LEU A 37 16.242 16.878 -15.957 1.00 0.00 C ATOM 550 CD1 LEU A 37 16.799 18.295 -15.826 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.574 16.140 -14.656 1.00 0.00 C ATOM 0 H LEU A 37 15.334 14.413 -15.891 1.00 0.00 H new ATOM 0 HA LEU A 37 13.048 15.830 -16.826 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.466 17.846 -16.674 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.235 16.926 -15.200 1.00 0.00 H new ATOM 0 HG LEU A 37 16.684 16.373 -16.816 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.877 18.249 -15.672 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.586 18.855 -16.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.332 18.793 -14.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.654 16.124 -14.512 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.104 16.653 -13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.200 15.118 -14.712 1.00 0.00 H new ATOM 563 N GLU A 38 14.949 14.923 -19.132 1.00 0.00 N ATOM 564 CA GLU A 38 15.055 14.677 -20.574 1.00 0.00 C ATOM 565 C GLU A 38 15.033 13.153 -20.803 1.00 0.00 C ATOM 566 O GLU A 38 15.228 12.377 -19.862 1.00 0.00 O ATOM 567 CB GLU A 38 16.332 15.290 -21.183 1.00 0.00 C ATOM 568 CG GLU A 38 16.370 16.821 -21.125 1.00 0.00 C ATOM 569 CD GLU A 38 17.470 17.379 -22.050 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.657 17.410 -21.642 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.150 17.799 -23.189 1.00 0.00 O ATOM 0 H GLU A 38 15.468 14.229 -18.594 1.00 0.00 H new ATOM 0 HA GLU A 38 14.213 15.158 -21.073 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.201 14.894 -20.657 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.416 14.973 -22.222 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.401 17.224 -21.421 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.551 17.146 -20.100 1.00 0.00 H new ATOM 578 N SER A 39 14.829 12.710 -22.046 1.00 0.00 N ATOM 579 CA SER A 39 14.846 11.290 -22.429 1.00 0.00 C ATOM 580 C SER A 39 15.832 11.016 -23.573 1.00 0.00 C ATOM 581 O SER A 39 15.689 11.536 -24.679 1.00 0.00 O ATOM 582 CB SER A 39 13.425 10.802 -22.749 1.00 0.00 C ATOM 583 OG SER A 39 12.727 11.679 -23.623 1.00 0.00 O ATOM 0 H SER A 39 14.644 13.336 -22.830 1.00 0.00 H new ATOM 0 HA SER A 39 15.207 10.714 -21.577 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.479 9.812 -23.202 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.863 10.698 -21.821 1.00 0.00 H new ATOM 0 HG SER A 39 11.831 11.323 -23.796 1.00 0.00 H new ATOM 589 N SER A 40 16.836 10.176 -23.291 1.00 0.00 N ATOM 590 CA SER A 40 17.839 9.685 -24.251 1.00 0.00 C ATOM 591 C SER A 40 17.449 8.265 -24.721 1.00 0.00 C ATOM 592 O SER A 40 16.326 8.058 -25.189 1.00 0.00 O ATOM 593 CB SER A 40 19.224 9.805 -23.584 1.00 0.00 C ATOM 594 OG SER A 40 20.293 9.311 -24.377 1.00 0.00 O ATOM 0 H SER A 40 16.979 9.804 -22.352 1.00 0.00 H new ATOM 0 HA SER A 40 17.880 10.279 -25.164 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.413 10.853 -23.350 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.208 9.265 -22.637 1.00 0.00 H new ATOM 0 HG SER A 40 21.138 9.421 -23.892 1.00 0.00 H new ATOM 600 N ARG A 41 18.357 7.292 -24.581 1.00 0.00 N ATOM 601 CA ARG A 41 18.161 5.851 -24.774 1.00 0.00 C ATOM 602 C ARG A 41 18.565 5.107 -23.506 1.00 0.00 C ATOM 603 O ARG A 41 19.522 5.518 -22.852 1.00 0.00 O ATOM 604 CB ARG A 41 18.947 5.378 -26.024 1.00 0.00 C ATOM 605 CG ARG A 41 20.479 5.167 -25.892 1.00 0.00 C ATOM 606 CD ARG A 41 21.312 6.390 -25.475 1.00 0.00 C ATOM 607 NE ARG A 41 22.750 6.051 -25.373 1.00 0.00 N ATOM 608 CZ ARG A 41 23.632 6.506 -24.493 1.00 0.00 C ATOM 609 NH1 ARG A 41 23.349 7.432 -23.624 1.00 0.00 N ATOM 610 NH2 ARG A 41 24.840 6.025 -24.454 1.00 0.00 N ATOM 0 H ARG A 41 19.317 7.507 -24.310 1.00 0.00 H new ATOM 0 HA ARG A 41 17.109 5.631 -24.956 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.509 4.437 -26.356 1.00 0.00 H new ATOM 0 HB3 ARG A 41 18.779 6.106 -26.818 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.652 4.374 -25.164 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.857 4.809 -26.850 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.175 7.191 -26.202 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.956 6.766 -24.516 1.00 0.00 H new ATOM 0 HE ARG A 41 23.105 5.388 -26.062 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.415 7.840 -23.600 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.061 7.750 -22.967 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.118 5.290 -25.105 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.510 6.383 -23.773 1.00 0.00 H new ATOM 624 N VAL A 42 17.901 4.003 -23.164 1.00 0.00 N ATOM 625 CA VAL A 42 18.389 3.123 -22.089 1.00 0.00 C ATOM 626 C VAL A 42 19.793 2.624 -22.434 1.00 0.00 C ATOM 627 O VAL A 42 20.054 2.214 -23.567 1.00 0.00 O ATOM 628 CB VAL A 42 17.405 1.976 -21.791 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.924 0.549 -21.953 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.942 2.128 -20.342 1.00 0.00 C ATOM 0 H VAL A 42 17.035 3.695 -23.606 1.00 0.00 H new ATOM 0 HA VAL A 42 18.452 3.697 -21.165 1.00 0.00 H new ATOM 0 HB VAL A 42 16.622 2.081 -22.542 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.129 -0.157 -21.712 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.247 0.394 -22.982 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.767 0.390 -21.281 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.242 1.329 -20.098 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.804 2.071 -19.677 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.450 3.092 -20.217 1.00 0.00 H new ATOM 640 N HIS A 43 20.708 2.687 -21.466 1.00 0.00 N ATOM 641 CA HIS A 43 22.096 2.303 -21.703 1.00 0.00 C ATOM 642 C HIS A 43 22.220 0.776 -21.790 1.00 0.00 C ATOM 643 O HIS A 43 21.745 0.085 -20.889 1.00 0.00 O ATOM 644 CB HIS A 43 22.995 2.898 -20.617 1.00 0.00 C ATOM 645 CG HIS A 43 24.418 2.879 -21.063 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.257 1.773 -21.038 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.037 3.905 -21.700 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.403 2.189 -21.610 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.289 3.456 -22.037 1.00 0.00 N ATOM 0 H HIS A 43 20.512 2.999 -20.515 1.00 0.00 H new ATOM 0 HA HIS A 43 22.428 2.706 -22.660 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.688 3.921 -20.399 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.888 2.330 -19.693 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.625 4.883 -21.902 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.293 1.585 -21.711 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.007 3.991 -22.526 1.00 0.00 H new ATOM 657 N PRO A 44 22.851 0.208 -22.833 1.00 0.00 N ATOM 658 CA PRO A 44 22.822 -1.238 -23.027 1.00 0.00 C ATOM 659 C PRO A 44 23.696 -1.975 -21.998 1.00 0.00 C ATOM 660 O PRO A 44 23.378 -3.097 -21.604 1.00 0.00 O ATOM 661 CB PRO A 44 23.288 -1.445 -24.472 1.00 0.00 C ATOM 662 CG PRO A 44 24.217 -0.257 -24.722 1.00 0.00 C ATOM 663 CD PRO A 44 23.540 0.865 -23.941 1.00 0.00 C ATOM 0 HA PRO A 44 21.828 -1.658 -22.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.809 -2.394 -24.593 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.449 -1.451 -25.167 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.227 -0.450 -24.361 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.297 -0.021 -25.783 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.271 1.586 -23.576 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.838 1.413 -24.570 1.00 0.00 H new ATOM 671 N THR A 45 24.750 -1.328 -21.488 1.00 0.00 N ATOM 672 CA THR A 45 25.603 -1.886 -20.425 1.00 0.00 C ATOM 673 C THR A 45 24.893 -1.880 -19.071 1.00 0.00 C ATOM 674 O THR A 45 25.124 -2.778 -18.270 1.00 0.00 O ATOM 675 CB THR A 45 26.945 -1.139 -20.349 1.00 0.00 C ATOM 676 OG1 THR A 45 27.537 -1.043 -21.632 1.00 0.00 O ATOM 677 CG2 THR A 45 27.949 -1.831 -19.431 1.00 0.00 C ATOM 0 H THR A 45 25.039 -0.401 -21.799 1.00 0.00 H new ATOM 0 HA THR A 45 25.808 -2.926 -20.680 1.00 0.00 H new ATOM 0 HB THR A 45 26.715 -0.152 -19.948 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.389 -0.563 -21.564 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.879 -1.262 -19.414 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.540 -1.889 -18.422 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.146 -2.837 -19.800 1.00 0.00 H new ATOM 685 N ALA A 46 23.951 -0.961 -18.824 1.00 0.00 N ATOM 686 CA ALA A 46 23.131 -0.982 -17.609 1.00 0.00 C ATOM 687 C ALA A 46 22.362 -2.300 -17.467 1.00 0.00 C ATOM 688 O ALA A 46 22.446 -2.957 -16.434 1.00 0.00 O ATOM 689 CB ALA A 46 22.158 0.203 -17.638 1.00 0.00 C ATOM 0 H ALA A 46 23.738 -0.189 -19.455 1.00 0.00 H new ATOM 0 HA ALA A 46 23.791 -0.899 -16.745 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.545 0.193 -16.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.721 1.135 -17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.515 0.125 -18.515 1.00 0.00 H new ATOM 695 N ILE A 47 21.690 -2.740 -18.536 1.00 0.00 N ATOM 696 CA ILE A 47 20.987 -4.035 -18.579 1.00 0.00 C ATOM 697 C ILE A 47 21.971 -5.174 -18.289 1.00 0.00 C ATOM 698 O ILE A 47 21.702 -5.995 -17.420 1.00 0.00 O ATOM 699 CB ILE A 47 20.316 -4.224 -19.957 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.210 -3.173 -20.187 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.708 -5.628 -20.127 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.279 -2.582 -21.590 1.00 0.00 C ATOM 0 H ILE A 47 21.616 -2.208 -19.403 1.00 0.00 H new ATOM 0 HA ILE A 47 20.210 -4.050 -17.814 1.00 0.00 H new ATOM 0 HB ILE A 47 21.107 -4.097 -20.696 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.234 -3.632 -20.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.307 -2.375 -19.451 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.249 -5.709 -21.112 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.492 -6.378 -20.030 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.951 -5.792 -19.360 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.485 -1.846 -21.714 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.246 -2.100 -21.735 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.156 -3.377 -22.326 1.00 0.00 H new ATOM 714 N ALA A 48 23.144 -5.172 -18.929 1.00 0.00 N ATOM 715 CA ALA A 48 24.164 -6.204 -18.716 1.00 0.00 C ATOM 716 C ALA A 48 24.653 -6.272 -17.257 1.00 0.00 C ATOM 717 O ALA A 48 24.881 -7.354 -16.716 1.00 0.00 O ATOM 718 CB ALA A 48 25.336 -5.922 -19.657 1.00 0.00 C ATOM 0 H ALA A 48 23.413 -4.459 -19.607 1.00 0.00 H new ATOM 0 HA ALA A 48 23.717 -7.175 -18.931 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.107 -6.679 -19.515 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.988 -5.948 -20.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.749 -4.937 -19.438 1.00 0.00 H new ATOM 724 N MET A 49 24.776 -5.116 -16.598 1.00 0.00 N ATOM 725 CA MET A 49 25.219 -4.997 -15.206 1.00 0.00 C ATOM 726 C MET A 49 24.104 -5.359 -14.219 1.00 0.00 C ATOM 727 O MET A 49 24.405 -5.875 -13.146 1.00 0.00 O ATOM 728 CB MET A 49 25.790 -3.592 -14.968 1.00 0.00 C ATOM 729 CG MET A 49 26.977 -3.279 -15.891 1.00 0.00 C ATOM 730 SD MET A 49 28.618 -3.659 -15.218 1.00 0.00 S ATOM 731 CE MET A 49 28.854 -5.351 -15.797 1.00 0.00 C ATOM 0 H MET A 49 24.565 -4.215 -17.028 1.00 0.00 H new ATOM 0 HA MET A 49 26.014 -5.720 -15.024 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.005 -2.852 -15.126 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.108 -3.503 -13.929 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.848 -3.835 -16.820 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.946 -2.220 -16.146 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.879 -5.663 -15.599 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.165 -6.014 -15.273 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.660 -5.399 -16.869 1.00 0.00 H new ATOM 741 N MET A 50 22.833 -5.165 -14.579 1.00 0.00 N ATOM 742 CA MET A 50 21.687 -5.674 -13.814 1.00 0.00 C ATOM 743 C MET A 50 21.491 -7.186 -14.017 1.00 0.00 C ATOM 744 O MET A 50 21.091 -7.882 -13.083 1.00 0.00 O ATOM 745 CB MET A 50 20.416 -4.895 -14.191 1.00 0.00 C ATOM 746 CG MET A 50 20.474 -3.412 -13.794 1.00 0.00 C ATOM 747 SD MET A 50 20.846 -3.032 -12.059 1.00 0.00 S ATOM 748 CE MET A 50 19.546 -3.992 -11.244 1.00 0.00 C ATOM 0 H MET A 50 22.566 -4.646 -15.416 1.00 0.00 H new ATOM 0 HA MET A 50 21.892 -5.521 -12.754 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.257 -4.970 -15.267 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.556 -5.360 -13.709 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.226 -2.925 -14.415 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.514 -2.958 -14.041 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.169 -3.437 -10.385 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.732 -4.172 -11.946 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.954 -4.946 -10.909 1.00 0.00 H new ATOM 758 N GLU A 51 21.863 -7.736 -15.177 1.00 0.00 N ATOM 759 CA GLU A 51 21.823 -9.187 -15.409 1.00 0.00 C ATOM 760 C GLU A 51 22.861 -9.954 -14.567 1.00 0.00 C ATOM 761 O GLU A 51 22.617 -11.115 -14.236 1.00 0.00 O ATOM 762 CB GLU A 51 21.998 -9.516 -16.901 1.00 0.00 C ATOM 763 CG GLU A 51 20.728 -9.265 -17.720 1.00 0.00 C ATOM 764 CD GLU A 51 20.926 -9.727 -19.179 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.657 -9.058 -19.950 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.350 -10.774 -19.568 1.00 0.00 O ATOM 0 H GLU A 51 22.197 -7.196 -15.975 1.00 0.00 H new ATOM 0 HA GLU A 51 20.837 -9.521 -15.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.811 -8.915 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.291 -10.561 -17.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.889 -9.799 -17.274 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.478 -8.204 -17.699 1.00 0.00 H new ATOM 773 N GLU A 52 23.963 -9.321 -14.129 1.00 0.00 N ATOM 774 CA GLU A 52 24.921 -9.969 -13.207 1.00 0.00 C ATOM 775 C GLU A 52 24.290 -10.330 -11.847 1.00 0.00 C ATOM 776 O GLU A 52 24.707 -11.296 -11.205 1.00 0.00 O ATOM 777 CB GLU A 52 26.134 -9.072 -12.921 1.00 0.00 C ATOM 778 CG GLU A 52 26.927 -8.642 -14.158 1.00 0.00 C ATOM 779 CD GLU A 52 28.361 -8.253 -13.781 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.547 -7.311 -12.972 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.319 -8.866 -14.306 1.00 0.00 O ATOM 0 H GLU A 52 24.214 -8.369 -14.394 1.00 0.00 H new ATOM 0 HA GLU A 52 25.229 -10.879 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.791 -8.179 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.805 -9.599 -12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 52 26.945 -9.455 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.431 -7.798 -14.637 1.00 0.00 H new ATOM 788 N VAL A 53 23.269 -9.570 -11.426 1.00 0.00 N ATOM 789 CA VAL A 53 22.478 -9.794 -10.201 1.00 0.00 C ATOM 790 C VAL A 53 21.107 -10.437 -10.492 1.00 0.00 C ATOM 791 O VAL A 53 20.265 -10.542 -9.601 1.00 0.00 O ATOM 792 CB VAL A 53 22.383 -8.509 -9.348 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.766 -8.077 -8.843 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.776 -7.327 -10.115 1.00 0.00 C ATOM 0 H VAL A 53 22.957 -8.750 -11.947 1.00 0.00 H new ATOM 0 HA VAL A 53 23.014 -10.526 -9.597 1.00 0.00 H new ATOM 0 HB VAL A 53 21.729 -8.763 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.668 -7.170 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.194 -8.871 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.420 -7.883 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.735 -6.453 -9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.393 -7.103 -10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.768 -7.584 -10.441 1.00 0.00 H new ATOM 804 N GLY A 54 20.884 -10.897 -11.730 1.00 0.00 N ATOM 805 CA GLY A 54 19.671 -11.608 -12.162 1.00 0.00 C ATOM 806 C GLY A 54 18.420 -10.730 -12.322 1.00 0.00 C ATOM 807 O GLY A 54 17.303 -11.246 -12.249 1.00 0.00 O ATOM 0 H GLY A 54 21.563 -10.782 -12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.876 -12.098 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.453 -12.394 -11.439 1.00 0.00 H new ATOM 811 N ILE A 55 18.590 -9.418 -12.520 1.00 0.00 N ATOM 812 CA ILE A 55 17.505 -8.426 -12.616 1.00 0.00 C ATOM 813 C ILE A 55 17.362 -7.921 -14.060 1.00 0.00 C ATOM 814 O ILE A 55 18.350 -7.646 -14.740 1.00 0.00 O ATOM 815 CB ILE A 55 17.741 -7.292 -11.591 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.640 -7.844 -10.148 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.755 -6.126 -11.779 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.870 -6.816 -9.033 1.00 0.00 C ATOM 0 H ILE A 55 19.515 -9.001 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 55 16.552 -8.891 -12.362 1.00 0.00 H new ATOM 0 HB ILE A 55 18.745 -6.904 -11.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.652 -8.285 -10.014 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.367 -8.648 -10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.959 -5.354 -11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.872 -5.708 -12.779 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.735 -6.489 -11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.777 -7.304 -8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.869 -6.390 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.128 -6.022 -9.112 1.00 0.00 H new ATOM 830 N ASP A 56 16.119 -7.775 -14.527 1.00 0.00 N ATOM 831 CA ASP A 56 15.791 -7.368 -15.897 1.00 0.00 C ATOM 832 C ASP A 56 15.260 -5.923 -15.987 1.00 0.00 C ATOM 833 O ASP A 56 14.262 -5.567 -15.354 1.00 0.00 O ATOM 834 CB ASP A 56 14.796 -8.376 -16.500 1.00 0.00 C ATOM 835 CG ASP A 56 14.319 -7.979 -17.911 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.116 -7.383 -18.674 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.147 -8.260 -18.254 1.00 0.00 O ATOM 0 H ASP A 56 15.294 -7.940 -13.951 1.00 0.00 H new ATOM 0 HA ASP A 56 16.713 -7.374 -16.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.265 -9.359 -16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.932 -8.464 -15.841 1.00 0.00 H new ATOM 842 N ILE A 57 15.914 -5.112 -16.828 1.00 0.00 N ATOM 843 CA ILE A 57 15.473 -3.766 -17.244 1.00 0.00 C ATOM 844 C ILE A 57 15.520 -3.586 -18.782 1.00 0.00 C ATOM 845 O ILE A 57 15.643 -2.469 -19.277 1.00 0.00 O ATOM 846 CB ILE A 57 16.232 -2.645 -16.493 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.749 -2.684 -16.766 1.00 0.00 C ATOM 848 CG2 ILE A 57 15.970 -2.689 -14.978 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.392 -1.296 -16.674 1.00 0.00 C ATOM 0 H ILE A 57 16.800 -5.382 -17.256 1.00 0.00 H new ATOM 0 HA ILE A 57 14.426 -3.675 -16.955 1.00 0.00 H new ATOM 0 HB ILE A 57 15.841 -1.705 -16.883 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.228 -3.352 -16.050 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.927 -3.099 -17.758 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.522 -1.886 -14.490 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.904 -2.564 -14.789 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.299 -3.649 -14.580 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.460 -1.376 -16.874 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.934 -0.633 -17.408 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.240 -0.890 -15.674 1.00 0.00 H new ATOM 861 N SER A 58 15.458 -4.671 -19.561 1.00 0.00 N ATOM 862 CA SER A 58 15.532 -4.637 -21.036 1.00 0.00 C ATOM 863 C SER A 58 14.220 -4.168 -21.686 1.00 0.00 C ATOM 864 O SER A 58 14.228 -3.542 -22.749 1.00 0.00 O ATOM 865 CB SER A 58 15.921 -6.029 -21.551 1.00 0.00 C ATOM 866 OG SER A 58 16.289 -5.969 -22.922 1.00 0.00 O ATOM 0 H SER A 58 15.354 -5.613 -19.185 1.00 0.00 H new ATOM 0 HA SER A 58 16.291 -3.907 -21.316 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.750 -6.422 -20.963 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.085 -6.717 -21.423 1.00 0.00 H new ATOM 0 HG SER A 58 16.536 -6.865 -23.234 1.00 0.00 H new ATOM 872 N GLY A 59 13.079 -4.411 -21.026 1.00 0.00 N ATOM 873 CA GLY A 59 11.729 -4.070 -21.503 1.00 0.00 C ATOM 874 C GLY A 59 11.307 -2.601 -21.336 1.00 0.00 C ATOM 875 O GLY A 59 10.133 -2.285 -21.535 1.00 0.00 O ATOM 0 H GLY A 59 13.069 -4.866 -20.113 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.662 -4.329 -22.560 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.010 -4.696 -20.975 1.00 0.00 H new ATOM 879 N GLN A 60 12.225 -1.702 -20.950 1.00 0.00 N ATOM 880 CA GLN A 60 11.969 -0.271 -20.719 1.00 0.00 C ATOM 881 C GLN A 60 13.055 0.600 -21.375 1.00 0.00 C ATOM 882 O GLN A 60 14.158 0.125 -21.643 1.00 0.00 O ATOM 883 CB GLN A 60 11.846 -0.014 -19.202 1.00 0.00 C ATOM 884 CG GLN A 60 13.175 -0.221 -18.450 1.00 0.00 C ATOM 885 CD GLN A 60 12.975 -0.599 -16.987 1.00 0.00 C ATOM 886 OE1 GLN A 60 12.575 -1.712 -16.668 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.245 0.282 -16.050 1.00 0.00 N ATOM 0 H GLN A 60 13.198 -1.959 -20.784 1.00 0.00 H new ATOM 0 HA GLN A 60 11.027 0.011 -21.190 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.497 1.005 -19.038 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.091 -0.681 -18.786 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.750 -1.002 -18.947 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.765 0.694 -18.506 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.579 1.212 -16.305 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.121 0.036 -15.068 1.00 0.00 H new ATOM 896 N THR A 61 12.771 1.886 -21.604 1.00 0.00 N ATOM 897 CA THR A 61 13.758 2.862 -22.050 1.00 0.00 C ATOM 898 C THR A 61 13.486 4.207 -21.386 1.00 0.00 C ATOM 899 O THR A 61 12.686 4.311 -20.452 1.00 0.00 O ATOM 900 CB THR A 61 13.837 2.907 -23.588 1.00 0.00 C ATOM 901 OG1 THR A 61 14.976 3.644 -23.991 1.00 0.00 O ATOM 902 CG2 THR A 61 12.606 3.514 -24.255 1.00 0.00 C ATOM 0 H THR A 61 11.837 2.278 -21.482 1.00 0.00 H new ATOM 0 HA THR A 61 14.756 2.562 -21.731 1.00 0.00 H new ATOM 0 HB THR A 61 13.899 1.868 -23.911 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.021 3.667 -24.970 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.739 3.510 -25.337 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.725 2.927 -23.995 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.474 4.539 -23.910 1.00 0.00 H new ATOM 910 N SER A 62 14.215 5.226 -21.806 1.00 0.00 N ATOM 911 CA SER A 62 14.106 6.580 -21.295 1.00 0.00 C ATOM 912 C SER A 62 12.716 7.202 -21.520 1.00 0.00 C ATOM 913 O SER A 62 12.201 7.175 -22.640 1.00 0.00 O ATOM 914 CB SER A 62 15.124 7.420 -22.034 1.00 0.00 C ATOM 915 OG SER A 62 16.432 6.884 -21.920 1.00 0.00 O ATOM 0 H SER A 62 14.922 5.130 -22.535 1.00 0.00 H new ATOM 0 HA SER A 62 14.275 6.551 -20.219 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.848 7.483 -23.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.112 8.436 -21.640 1.00 0.00 H new ATOM 0 HG SER A 62 16.604 6.636 -20.988 1.00 0.00 H new ATOM 921 N ASP A 63 12.155 7.849 -20.492 1.00 0.00 N ATOM 922 CA ASP A 63 10.915 8.646 -20.590 1.00 0.00 C ATOM 923 C ASP A 63 10.988 9.987 -19.818 1.00 0.00 C ATOM 924 O ASP A 63 11.622 10.049 -18.759 1.00 0.00 O ATOM 925 CB ASP A 63 9.698 7.832 -20.128 1.00 0.00 C ATOM 926 CG ASP A 63 9.242 6.812 -21.183 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.726 7.234 -22.247 1.00 0.00 O ATOM 928 OD2 ASP A 63 9.343 5.587 -20.939 1.00 0.00 O ATOM 0 H ASP A 63 12.551 7.837 -19.552 1.00 0.00 H new ATOM 0 HA ASP A 63 10.801 8.895 -21.645 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.943 7.310 -19.203 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.875 8.510 -19.902 1.00 0.00 H new ATOM 933 N PRO A 64 10.352 11.071 -20.314 1.00 0.00 N ATOM 934 CA PRO A 64 10.516 12.419 -19.770 1.00 0.00 C ATOM 935 C PRO A 64 9.564 12.744 -18.605 1.00 0.00 C ATOM 936 O PRO A 64 8.388 12.382 -18.614 1.00 0.00 O ATOM 937 CB PRO A 64 10.292 13.352 -20.965 1.00 0.00 C ATOM 938 CG PRO A 64 9.234 12.606 -21.776 1.00 0.00 C ATOM 939 CD PRO A 64 9.619 11.137 -21.577 1.00 0.00 C ATOM 0 HA PRO A 64 11.504 12.533 -19.325 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.943 14.336 -20.651 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.207 13.506 -21.537 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.227 12.812 -21.412 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.257 12.890 -22.828 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.732 10.504 -21.545 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.235 10.781 -22.403 1.00 0.00 H new ATOM 947 N ILE A 65 10.059 13.525 -17.642 1.00 0.00 N ATOM 948 CA ILE A 65 9.364 14.014 -16.439 1.00 0.00 C ATOM 949 C ILE A 65 8.057 14.753 -16.787 1.00 0.00 C ATOM 950 O ILE A 65 7.052 14.620 -16.092 1.00 0.00 O ATOM 951 CB ILE A 65 10.363 14.904 -15.645 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.975 15.011 -14.169 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.557 16.314 -16.245 1.00 0.00 C ATOM 954 CD1 ILE A 65 11.005 15.754 -13.309 1.00 0.00 C ATOM 0 H ILE A 65 11.022 13.858 -17.681 1.00 0.00 H new ATOM 0 HA ILE A 65 9.053 13.174 -15.818 1.00 0.00 H new ATOM 0 HB ILE A 65 11.322 14.392 -15.727 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.015 15.522 -14.092 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.836 14.008 -13.766 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.267 16.874 -15.636 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.940 16.227 -17.262 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.601 16.837 -16.261 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.659 15.789 -12.276 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.961 15.232 -13.354 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.128 16.770 -13.685 1.00 0.00 H new ATOM 966 N GLU A 66 8.053 15.463 -17.920 1.00 0.00 N ATOM 967 CA GLU A 66 6.920 16.278 -18.391 1.00 0.00 C ATOM 968 C GLU A 66 5.652 15.461 -18.713 1.00 0.00 C ATOM 969 O GLU A 66 4.552 16.015 -18.670 1.00 0.00 O ATOM 970 CB GLU A 66 7.348 17.085 -19.632 1.00 0.00 C ATOM 971 CG GLU A 66 8.504 18.056 -19.358 1.00 0.00 C ATOM 972 CD GLU A 66 8.751 18.968 -20.575 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.462 18.547 -21.522 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.237 20.114 -20.599 1.00 0.00 O ATOM 0 H GLU A 66 8.853 15.490 -18.552 1.00 0.00 H new ATOM 0 HA GLU A 66 6.653 16.941 -17.568 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.643 16.394 -20.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.491 17.647 -20.004 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.275 18.664 -18.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.410 17.495 -19.128 1.00 0.00 H new ATOM 981 N ASN A 67 5.774 14.156 -19.008 1.00 0.00 N ATOM 982 CA ASN A 67 4.618 13.281 -19.275 1.00 0.00 C ATOM 983 C ASN A 67 4.037 12.616 -18.000 1.00 0.00 C ATOM 984 O ASN A 67 2.946 12.043 -18.049 1.00 0.00 O ATOM 985 CB ASN A 67 4.982 12.265 -20.386 1.00 0.00 C ATOM 986 CG ASN A 67 5.193 10.841 -19.882 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.402 9.942 -20.132 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.241 10.595 -19.134 1.00 0.00 N ATOM 0 H ASN A 67 6.673 13.678 -19.068 1.00 0.00 H new ATOM 0 HA ASN A 67 3.800 13.904 -19.638 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.189 12.261 -21.134 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.890 12.600 -20.887 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.394 9.657 -18.763 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.903 11.341 -18.923 1.00 0.00 H new ATOM 995 N PHE A 68 4.765 12.665 -16.877 1.00 0.00 N ATOM 996 CA PHE A 68 4.467 11.926 -15.645 1.00 0.00 C ATOM 997 C PHE A 68 3.728 12.767 -14.586 1.00 0.00 C ATOM 998 O PHE A 68 3.547 13.977 -14.731 1.00 0.00 O ATOM 999 CB PHE A 68 5.778 11.316 -15.123 1.00 0.00 C ATOM 1000 CG PHE A 68 6.278 10.109 -15.897 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.465 8.969 -16.046 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.571 10.115 -16.453 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.937 7.851 -16.754 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.037 8.997 -17.171 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.222 7.863 -17.317 1.00 0.00 C ATOM 0 H PHE A 68 5.605 13.239 -16.799 1.00 0.00 H new ATOM 0 HA PHE A 68 3.762 11.127 -15.874 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.551 12.085 -15.140 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.637 11.028 -14.081 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.475 8.954 -15.614 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.207 10.979 -16.329 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.309 6.980 -16.865 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.023 9.012 -17.610 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.583 7.003 -17.861 1.00 0.00 H new ATOM 1015 N ASN A 69 3.273 12.102 -13.515 1.00 0.00 N ATOM 1016 CA ASN A 69 2.361 12.650 -12.500 1.00 0.00 C ATOM 1017 C ASN A 69 2.939 12.586 -11.069 1.00 0.00 C ATOM 1018 O ASN A 69 2.619 11.679 -10.297 1.00 0.00 O ATOM 1019 CB ASN A 69 0.976 11.976 -12.654 1.00 0.00 C ATOM 1020 CG ASN A 69 0.988 10.458 -12.805 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.665 9.917 -13.854 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.347 9.721 -11.780 1.00 0.00 N ATOM 0 H ASN A 69 3.538 11.136 -13.325 1.00 0.00 H new ATOM 0 HA ASN A 69 2.236 13.719 -12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.371 12.231 -11.784 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.479 12.405 -13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.356 8.704 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.618 10.165 -10.902 1.00 0.00 H new ATOM 1029 N ALA A 70 3.755 13.578 -10.691 1.00 0.00 N ATOM 1030 CA ALA A 70 4.412 13.625 -9.379 1.00 0.00 C ATOM 1031 C ALA A 70 3.436 13.545 -8.184 1.00 0.00 C ATOM 1032 O ALA A 70 3.802 13.062 -7.113 1.00 0.00 O ATOM 1033 CB ALA A 70 5.224 14.912 -9.256 1.00 0.00 C ATOM 0 H ALA A 70 3.979 14.373 -11.289 1.00 0.00 H new ATOM 0 HA ALA A 70 5.049 12.742 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.710 14.944 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.981 14.941 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.562 15.771 -9.359 1.00 0.00 H new ATOM 1039 N ASP A 71 2.199 14.013 -8.381 1.00 0.00 N ATOM 1040 CA ASP A 71 1.116 13.998 -7.392 1.00 0.00 C ATOM 1041 C ASP A 71 0.761 12.588 -6.878 1.00 0.00 C ATOM 1042 O ASP A 71 0.377 12.432 -5.716 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.120 14.632 -8.046 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.290 14.769 -7.057 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.207 15.616 -6.133 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.307 14.052 -7.213 1.00 0.00 O ATOM 0 H ASP A 71 1.914 14.429 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 71 1.454 14.557 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.141 15.615 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.433 14.024 -8.895 1.00 0.00 H new ATOM 1051 N ASP A 72 0.914 11.557 -7.719 1.00 0.00 N ATOM 1052 CA ASP A 72 0.622 10.165 -7.346 1.00 0.00 C ATOM 1053 C ASP A 72 1.802 9.462 -6.665 1.00 0.00 C ATOM 1054 O ASP A 72 1.591 8.632 -5.782 1.00 0.00 O ATOM 1055 CB ASP A 72 0.183 9.370 -8.576 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.326 7.971 -8.191 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.372 7.876 -7.504 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.308 6.963 -8.584 1.00 0.00 O ATOM 0 H ASP A 72 1.244 11.664 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.187 10.203 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.604 9.913 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.020 9.276 -9.268 1.00 0.00 H new ATOM 1063 N TYR A 73 3.037 9.792 -7.048 1.00 0.00 N ATOM 1064 CA TYR A 73 4.236 9.199 -6.468 1.00 0.00 C ATOM 1065 C TYR A 73 4.383 9.709 -5.029 1.00 0.00 C ATOM 1066 O TYR A 73 4.607 10.897 -4.803 1.00 0.00 O ATOM 1067 CB TYR A 73 5.463 9.517 -7.343 1.00 0.00 C ATOM 1068 CG TYR A 73 5.262 9.345 -8.842 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.512 8.266 -9.355 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.791 10.303 -9.725 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.227 8.194 -10.733 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.494 10.243 -11.101 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.690 9.201 -11.601 1.00 0.00 C ATOM 1074 OH TYR A 73 4.361 9.176 -12.920 1.00 0.00 O ATOM 0 H TYR A 73 3.231 10.482 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 73 4.155 8.112 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.768 10.546 -7.151 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.287 8.877 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.155 7.493 -8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.428 11.089 -9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.653 7.366 -11.123 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.883 10.995 -11.771 1.00 0.00 H new ATOM 0 HH TYR A 73 3.486 8.748 -13.031 1.00 0.00 H new ATOM 1084 N ASP A 74 4.271 8.816 -4.044 1.00 0.00 N ATOM 1085 CA ASP A 74 4.459 9.164 -2.631 1.00 0.00 C ATOM 1086 C ASP A 74 5.876 9.702 -2.378 1.00 0.00 C ATOM 1087 O ASP A 74 6.080 10.581 -1.543 1.00 0.00 O ATOM 1088 CB ASP A 74 4.202 7.918 -1.773 1.00 0.00 C ATOM 1089 CG ASP A 74 2.771 7.395 -1.929 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.831 7.957 -1.322 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.600 6.412 -2.688 1.00 0.00 O ATOM 0 H ASP A 74 4.048 7.833 -4.201 1.00 0.00 H new ATOM 0 HA ASP A 74 3.754 9.951 -2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.906 7.134 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.389 8.155 -0.726 1.00 0.00 H new ATOM 1096 N VAL A 75 6.853 9.202 -3.140 1.00 0.00 N ATOM 1097 CA VAL A 75 8.279 9.517 -3.008 1.00 0.00 C ATOM 1098 C VAL A 75 8.901 9.766 -4.389 1.00 0.00 C ATOM 1099 O VAL A 75 8.627 9.026 -5.335 1.00 0.00 O ATOM 1100 CB VAL A 75 8.993 8.360 -2.294 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.495 8.604 -2.148 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.398 8.111 -0.903 1.00 0.00 C ATOM 0 H VAL A 75 6.666 8.542 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 75 8.394 10.425 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 75 8.842 7.483 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.953 7.757 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.943 8.718 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.661 9.511 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.925 7.286 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.503 9.010 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.342 7.860 -0.999 1.00 0.00 H new ATOM 1112 N VAL A 76 9.792 10.755 -4.511 1.00 0.00 N ATOM 1113 CA VAL A 76 10.531 11.061 -5.752 1.00 0.00 C ATOM 1114 C VAL A 76 12.028 11.151 -5.466 1.00 0.00 C ATOM 1115 O VAL A 76 12.444 11.747 -4.477 1.00 0.00 O ATOM 1116 CB VAL A 76 9.999 12.349 -6.413 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.908 12.886 -7.524 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.631 12.114 -7.066 1.00 0.00 C ATOM 0 H VAL A 76 10.028 11.379 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 76 10.371 10.249 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 76 9.947 13.070 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.472 13.793 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.891 13.113 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.008 12.135 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.282 13.040 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.721 11.343 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.917 11.792 -6.308 1.00 0.00 H new ATOM 1128 N ILE A 77 12.846 10.554 -6.330 1.00 0.00 N ATOM 1129 CA ILE A 77 14.284 10.376 -6.106 1.00 0.00 C ATOM 1130 C ILE A 77 15.067 10.902 -7.301 1.00 0.00 C ATOM 1131 O ILE A 77 15.002 10.320 -8.377 1.00 0.00 O ATOM 1132 CB ILE A 77 14.595 8.879 -5.890 1.00 0.00 C ATOM 1133 CG1 ILE A 77 13.711 8.187 -4.828 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.082 8.688 -5.567 1.00 0.00 C ATOM 1135 CD1 ILE A 77 13.870 8.735 -3.405 1.00 0.00 C ATOM 0 H ILE A 77 12.526 10.173 -7.220 1.00 0.00 H new ATOM 0 HA ILE A 77 14.579 10.935 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 77 14.351 8.386 -6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.667 8.284 -5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 77 13.943 7.122 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.289 7.628 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.685 9.062 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.331 9.238 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.211 8.189 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 77 14.904 8.613 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.608 9.793 -3.391 1.00 0.00 H new ATOM 1147 N SER A 78 15.835 11.968 -7.122 1.00 0.00 N ATOM 1148 CA SER A 78 16.803 12.421 -8.119 1.00 0.00 C ATOM 1149 C SER A 78 18.115 11.644 -7.964 1.00 0.00 C ATOM 1150 O SER A 78 18.510 11.263 -6.861 1.00 0.00 O ATOM 1151 CB SER A 78 17.032 13.924 -8.013 1.00 0.00 C ATOM 1152 OG SER A 78 17.823 14.332 -9.117 1.00 0.00 O ATOM 0 H SER A 78 15.807 12.545 -6.282 1.00 0.00 H new ATOM 0 HA SER A 78 16.402 12.224 -9.113 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.080 14.454 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.533 14.167 -7.076 1.00 0.00 H new ATOM 0 HG SER A 78 17.980 15.298 -9.068 1.00 0.00 H new ATOM 1158 N LEU A 79 18.790 11.386 -9.083 1.00 0.00 N ATOM 1159 CA LEU A 79 20.129 10.799 -9.147 1.00 0.00 C ATOM 1160 C LEU A 79 20.975 11.606 -10.147 1.00 0.00 C ATOM 1161 O LEU A 79 21.600 11.039 -11.042 1.00 0.00 O ATOM 1162 CB LEU A 79 20.060 9.278 -9.460 1.00 0.00 C ATOM 1163 CG LEU A 79 19.056 8.427 -8.637 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.710 8.315 -9.347 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.567 6.999 -8.460 1.00 0.00 C ATOM 0 H LEU A 79 18.405 11.588 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 79 20.621 10.863 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.815 9.162 -10.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 21.056 8.858 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 79 18.947 8.930 -7.676 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.030 7.713 -8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.288 9.310 -9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.850 7.842 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.845 6.424 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.699 6.536 -9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.522 7.017 -7.936 1.00 0.00 H new ATOM 1177 N CYS A 80 20.906 12.938 -10.072 1.00 0.00 N ATOM 1178 CA CYS A 80 21.464 13.858 -11.079 1.00 0.00 C ATOM 1179 C CYS A 80 22.746 14.597 -10.662 1.00 0.00 C ATOM 1180 O CYS A 80 23.536 14.965 -11.531 1.00 0.00 O ATOM 1181 CB CYS A 80 20.399 14.901 -11.445 1.00 0.00 C ATOM 1182 SG CYS A 80 18.911 14.121 -12.114 1.00 0.00 S ATOM 0 H CYS A 80 20.453 13.421 -9.296 1.00 0.00 H new ATOM 0 HA CYS A 80 21.745 13.227 -11.922 1.00 0.00 H new ATOM 0 HB2 CYS A 80 20.140 15.484 -10.561 1.00 0.00 H new ATOM 0 HB3 CYS A 80 20.807 15.598 -12.178 1.00 0.00 H new ATOM 0 HG CYS A 80 18.064 13.904 -11.152 1.00 0.00 H new ATOM 1188 N GLY A 81 22.960 14.832 -9.363 1.00 0.00 N ATOM 1189 CA GLY A 81 24.025 15.723 -8.893 1.00 0.00 C ATOM 1190 C GLY A 81 23.620 17.202 -8.998 1.00 0.00 C ATOM 1191 O GLY A 81 22.444 17.541 -9.172 1.00 0.00 O ATOM 0 H GLY A 81 22.406 14.415 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.267 15.485 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 81 24.928 15.551 -9.479 1.00 0.00 H new ATOM 1195 N CYS A 82 24.607 18.091 -8.887 1.00 0.00 N ATOM 1196 CA CYS A 82 24.413 19.546 -8.958 1.00 0.00 C ATOM 1197 C CYS A 82 23.809 20.005 -10.305 1.00 0.00 C ATOM 1198 O CYS A 82 24.008 19.375 -11.348 1.00 0.00 O ATOM 1199 CB CYS A 82 25.751 20.249 -8.679 1.00 0.00 C ATOM 1200 SG CYS A 82 26.347 19.830 -7.009 1.00 0.00 S ATOM 0 H CYS A 82 25.580 17.820 -8.743 1.00 0.00 H new ATOM 0 HA CYS A 82 23.686 19.826 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.490 19.949 -9.422 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.629 21.328 -8.769 1.00 0.00 H new ATOM 0 HG CYS A 82 27.479 20.430 -6.789 1.00 0.00 H new ATOM 1206 N GLY A 83 23.080 21.129 -10.286 1.00 0.00 N ATOM 1207 CA GLY A 83 22.417 21.715 -11.465 1.00 0.00 C ATOM 1208 C GLY A 83 20.975 21.241 -11.710 1.00 0.00 C ATOM 1209 O GLY A 83 20.342 21.699 -12.663 1.00 0.00 O ATOM 0 H GLY A 83 22.930 21.670 -9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.412 22.800 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.013 21.485 -12.348 1.00 0.00 H new ATOM 1213 N VAL A 84 20.437 20.349 -10.864 1.00 0.00 N ATOM 1214 CA VAL A 84 19.052 19.839 -10.931 1.00 0.00 C ATOM 1215 C VAL A 84 18.401 19.897 -9.546 1.00 0.00 C ATOM 1216 O VAL A 84 18.893 19.278 -8.603 1.00 0.00 O ATOM 1217 CB VAL A 84 19.015 18.399 -11.489 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.580 17.852 -11.577 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.623 18.313 -12.895 1.00 0.00 C ATOM 0 H VAL A 84 20.967 19.948 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 84 18.487 20.475 -11.612 1.00 0.00 H new ATOM 0 HB VAL A 84 19.601 17.804 -10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.601 16.837 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.132 17.843 -10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.988 18.487 -12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.577 17.283 -13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.062 18.956 -13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.663 18.639 -12.862 1.00 0.00 H new ATOM 1229 N ASN A 85 17.275 20.617 -9.427 1.00 0.00 N ATOM 1230 CA ASN A 85 16.552 20.817 -8.155 1.00 0.00 C ATOM 1231 C ASN A 85 15.025 20.559 -8.225 1.00 0.00 C ATOM 1232 O ASN A 85 14.354 20.687 -7.203 1.00 0.00 O ATOM 1233 CB ASN A 85 16.885 22.233 -7.635 1.00 0.00 C ATOM 1234 CG ASN A 85 18.364 22.405 -7.310 1.00 0.00 C ATOM 1235 OD1 ASN A 85 19.137 22.940 -8.092 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.812 21.948 -6.159 1.00 0.00 N ATOM 0 H ASN A 85 16.833 21.084 -10.219 1.00 0.00 H new ATOM 0 HA ASN A 85 16.897 20.059 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.593 22.969 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.294 22.436 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.800 22.041 -5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.171 21.501 -5.503 1.00 0.00 H new ATOM 1243 N LEU A 86 14.478 20.199 -9.401 1.00 0.00 N ATOM 1244 CA LEU A 86 13.045 19.918 -9.650 1.00 0.00 C ATOM 1245 C LEU A 86 12.060 20.918 -8.983 1.00 0.00 C ATOM 1246 O LEU A 86 11.256 20.513 -8.145 1.00 0.00 O ATOM 1247 CB LEU A 86 12.739 18.445 -9.292 1.00 0.00 C ATOM 1248 CG LEU A 86 13.529 17.337 -9.989 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.902 15.997 -9.592 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.455 17.497 -11.507 1.00 0.00 C ATOM 0 H LEU A 86 15.044 20.090 -10.242 1.00 0.00 H new ATOM 0 HA LEU A 86 12.871 20.071 -10.715 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.886 18.329 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.681 18.270 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 86 14.576 17.386 -9.690 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.445 15.184 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.955 15.877 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.859 15.975 -9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.023 16.699 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.415 17.444 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.874 18.462 -11.792 1.00 0.00 H new ATOM 1262 N PRO A 87 12.061 22.213 -9.372 1.00 0.00 N ATOM 1263 CA PRO A 87 11.172 23.236 -8.795 1.00 0.00 C ATOM 1264 C PRO A 87 9.644 22.955 -8.706 1.00 0.00 C ATOM 1265 O PRO A 87 9.025 23.540 -7.809 1.00 0.00 O ATOM 1266 CB PRO A 87 11.415 24.496 -9.632 1.00 0.00 C ATOM 1267 CG PRO A 87 12.856 24.334 -10.104 1.00 0.00 C ATOM 1268 CD PRO A 87 12.960 22.831 -10.343 1.00 0.00 C ATOM 0 HA PRO A 87 11.435 23.299 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.722 24.561 -10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.285 25.402 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.052 24.904 -11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.569 24.676 -9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.670 22.576 -11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.984 22.483 -10.206 1.00 0.00 H new ATOM 1276 N PRO A 88 8.997 22.131 -9.571 1.00 0.00 N ATOM 1277 CA PRO A 88 7.541 21.912 -9.524 1.00 0.00 C ATOM 1278 C PRO A 88 7.059 20.975 -8.392 1.00 0.00 C ATOM 1279 O PRO A 88 7.745 20.727 -7.403 1.00 0.00 O ATOM 1280 CB PRO A 88 7.163 21.370 -10.920 1.00 0.00 C ATOM 1281 CG PRO A 88 8.373 21.612 -11.811 1.00 0.00 C ATOM 1282 CD PRO A 88 9.521 21.574 -10.817 1.00 0.00 C ATOM 0 HA PRO A 88 7.039 22.850 -9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.920 20.308 -10.873 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.283 21.881 -11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.473 20.844 -12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.313 22.571 -12.326 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.875 20.554 -10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.369 22.156 -11.178 1.00 0.00 H new ATOM 1290 N GLU A 89 5.877 20.372 -8.578 1.00 0.00 N ATOM 1291 CA GLU A 89 5.310 19.283 -7.753 1.00 0.00 C ATOM 1292 C GLU A 89 6.209 18.031 -7.604 1.00 0.00 C ATOM 1293 O GLU A 89 5.880 17.121 -6.854 1.00 0.00 O ATOM 1294 CB GLU A 89 3.927 18.896 -8.314 1.00 0.00 C ATOM 1295 CG GLU A 89 3.938 18.494 -9.801 1.00 0.00 C ATOM 1296 CD GLU A 89 2.559 17.965 -10.247 1.00 0.00 C ATOM 1297 OE1 GLU A 89 1.624 18.787 -10.422 1.00 0.00 O ATOM 1298 OE2 GLU A 89 2.403 16.735 -10.444 1.00 0.00 O ATOM 0 H GLU A 89 5.257 20.639 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 89 5.228 19.679 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.529 18.067 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.246 19.736 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.215 19.354 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.695 17.728 -9.968 1.00 0.00 H new ATOM 1305 N TRP A 90 7.367 17.979 -8.268 1.00 0.00 N ATOM 1306 CA TRP A 90 8.397 16.938 -8.155 1.00 0.00 C ATOM 1307 C TRP A 90 9.275 17.015 -6.889 1.00 0.00 C ATOM 1308 O TRP A 90 10.207 16.219 -6.744 1.00 0.00 O ATOM 1309 CB TRP A 90 9.229 16.965 -9.431 1.00 0.00 C ATOM 1310 CG TRP A 90 8.468 16.467 -10.614 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.714 17.206 -11.458 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.362 15.095 -11.083 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.038 16.362 -12.323 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.412 15.047 -12.142 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.014 13.895 -10.742 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.084 13.853 -12.794 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.755 12.708 -11.445 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.788 12.681 -12.462 1.00 0.00 C ATOM 0 H TRP A 90 7.627 18.703 -8.938 1.00 0.00 H new ATOM 0 HA TRP A 90 7.887 15.982 -8.039 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.566 17.984 -9.621 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.122 16.355 -9.293 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.649 18.284 -11.458 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.350 16.674 -13.008 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.724 13.887 -9.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.303 13.832 -13.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.303 11.810 -11.202 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.584 11.761 -12.990 1.00 0.00 H new ATOM 1329 N VAL A 91 8.967 17.934 -5.969 1.00 0.00 N ATOM 1330 CA VAL A 91 9.569 18.018 -4.622 1.00 0.00 C ATOM 1331 C VAL A 91 8.535 18.242 -3.501 1.00 0.00 C ATOM 1332 O VAL A 91 8.913 18.532 -2.365 1.00 0.00 O ATOM 1333 CB VAL A 91 10.706 19.060 -4.556 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.874 18.706 -5.474 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.227 20.487 -4.856 1.00 0.00 C ATOM 0 H VAL A 91 8.274 18.663 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 91 10.008 17.037 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 91 11.055 19.032 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.647 19.470 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.286 17.740 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.524 18.655 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.071 21.174 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.801 20.524 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.469 20.777 -4.128 1.00 0.00 H new ATOM 1345 N THR A 92 7.230 18.101 -3.781 1.00 0.00 N ATOM 1346 CA THR A 92 6.125 18.276 -2.804 1.00 0.00 C ATOM 1347 C THR A 92 5.626 16.940 -2.219 1.00 0.00 C ATOM 1348 O THR A 92 4.606 16.879 -1.529 1.00 0.00 O ATOM 1349 CB THR A 92 4.959 19.097 -3.388 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.422 18.440 -4.515 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.403 20.493 -3.835 1.00 0.00 C ATOM 0 H THR A 92 6.898 17.856 -4.714 1.00 0.00 H new ATOM 0 HA THR A 92 6.549 18.845 -1.976 1.00 0.00 H new ATOM 0 HB THR A 92 4.217 19.194 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.681 18.968 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.548 21.035 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.806 21.037 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.171 20.402 -4.603 1.00 0.00 H new ATOM 1359 N GLN A 93 6.369 15.867 -2.499 1.00 0.00 N ATOM 1360 CA GLN A 93 6.191 14.484 -2.059 1.00 0.00 C ATOM 1361 C GLN A 93 6.219 14.310 -0.531 1.00 0.00 C ATOM 1362 O GLN A 93 6.563 15.223 0.224 1.00 0.00 O ATOM 1363 CB GLN A 93 7.342 13.656 -2.663 1.00 0.00 C ATOM 1364 CG GLN A 93 7.095 13.282 -4.119 1.00 0.00 C ATOM 1365 CD GLN A 93 6.950 14.477 -5.035 1.00 0.00 C ATOM 1366 OE1 GLN A 93 7.730 15.410 -4.971 1.00 0.00 O ATOM 1367 NE2 GLN A 93 5.942 14.531 -5.867 1.00 0.00 N ATOM 0 H GLN A 93 7.190 15.955 -3.098 1.00 0.00 H new ATOM 0 HA GLN A 93 5.207 14.156 -2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.270 14.224 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.477 12.747 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.920 12.663 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.192 12.675 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.286 13.752 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.812 15.352 -6.458 1.00 0.00 H new ATOM 1376 N GLU A 94 5.937 13.083 -0.086 1.00 0.00 N ATOM 1377 CA GLU A 94 6.143 12.699 1.320 1.00 0.00 C ATOM 1378 C GLU A 94 7.651 12.655 1.649 1.00 0.00 C ATOM 1379 O GLU A 94 8.073 13.147 2.697 1.00 0.00 O ATOM 1380 CB GLU A 94 5.454 11.352 1.607 1.00 0.00 C ATOM 1381 CG GLU A 94 5.635 10.934 3.066 1.00 0.00 C ATOM 1382 CD GLU A 94 4.809 9.682 3.395 1.00 0.00 C ATOM 1383 OE1 GLU A 94 5.318 8.549 3.223 1.00 0.00 O ATOM 1384 OE2 GLU A 94 3.646 9.803 3.847 1.00 0.00 O ATOM 0 H GLU A 94 5.566 12.337 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 94 5.689 13.448 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.391 11.429 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.866 10.584 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.689 10.739 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.335 11.752 3.721 1.00 0.00 H new ATOM 1391 N ILE A 95 8.465 12.126 0.720 1.00 0.00 N ATOM 1392 CA ILE A 95 9.937 12.156 0.767 1.00 0.00 C ATOM 1393 C ILE A 95 10.500 12.516 -0.618 1.00 0.00 C ATOM 1394 O ILE A 95 10.035 11.999 -1.635 1.00 0.00 O ATOM 1395 CB ILE A 95 10.514 10.801 1.277 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.954 10.418 2.668 1.00 0.00 C ATOM 1397 CG2 ILE A 95 12.056 10.823 1.294 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.562 9.152 3.293 1.00 0.00 C ATOM 0 H ILE A 95 8.107 11.652 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 95 10.245 12.924 1.476 1.00 0.00 H new ATOM 0 HB ILE A 95 10.191 10.033 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.115 11.253 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.876 10.280 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.430 9.864 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.428 11.002 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.401 11.618 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.104 8.970 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.378 8.299 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.636 9.288 3.418 1.00 0.00 H new ATOM 1410 N PHE A 96 11.521 13.373 -0.646 1.00 0.00 N ATOM 1411 CA PHE A 96 12.339 13.651 -1.830 1.00 0.00 C ATOM 1412 C PHE A 96 13.822 13.424 -1.483 1.00 0.00 C ATOM 1413 O PHE A 96 14.277 13.839 -0.415 1.00 0.00 O ATOM 1414 CB PHE A 96 12.066 15.053 -2.406 1.00 0.00 C ATOM 1415 CG PHE A 96 13.044 15.432 -3.510 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.805 15.082 -4.856 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.253 16.074 -3.166 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.792 15.327 -5.828 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.228 16.334 -4.146 1.00 0.00 C ATOM 1420 CZ PHE A 96 14.999 15.954 -5.478 1.00 0.00 C ATOM 0 H PHE A 96 11.810 13.907 0.174 1.00 0.00 H new ATOM 0 HA PHE A 96 12.064 12.959 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.049 15.089 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.125 15.789 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.867 14.627 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.431 16.368 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.620 15.030 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.151 16.825 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.749 16.143 -6.232 1.00 0.00 H new ATOM 1430 N GLU A 97 14.575 12.766 -2.371 1.00 0.00 N ATOM 1431 CA GLU A 97 16.019 12.517 -2.211 1.00 0.00 C ATOM 1432 C GLU A 97 16.813 12.910 -3.461 1.00 0.00 C ATOM 1433 O GLU A 97 16.272 12.945 -4.564 1.00 0.00 O ATOM 1434 CB GLU A 97 16.302 11.050 -1.858 1.00 0.00 C ATOM 1435 CG GLU A 97 15.693 10.582 -0.526 1.00 0.00 C ATOM 1436 CD GLU A 97 16.288 11.270 0.729 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.313 11.995 0.646 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.731 11.067 1.835 1.00 0.00 O ATOM 0 H GLU A 97 14.195 12.383 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 97 16.348 13.147 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.920 10.417 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.381 10.901 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.618 10.763 -0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.833 9.505 -0.435 1.00 0.00 H new ATOM 1445 N ASP A 98 18.114 13.156 -3.297 1.00 0.00 N ATOM 1446 CA ASP A 98 19.066 13.371 -4.392 1.00 0.00 C ATOM 1447 C ASP A 98 20.361 12.591 -4.114 1.00 0.00 C ATOM 1448 O ASP A 98 21.254 13.078 -3.416 1.00 0.00 O ATOM 1449 CB ASP A 98 19.320 14.872 -4.606 1.00 0.00 C ATOM 1450 CG ASP A 98 20.437 15.136 -5.641 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.538 14.390 -6.647 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.206 16.108 -5.449 1.00 0.00 O ATOM 0 H ASP A 98 18.548 13.213 -2.375 1.00 0.00 H new ATOM 0 HA ASP A 98 18.643 12.991 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.399 15.350 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.592 15.331 -3.656 1.00 0.00 H new ATOM 1457 N TRP A 99 20.449 11.352 -4.615 1.00 0.00 N ATOM 1458 CA TRP A 99 21.608 10.476 -4.403 1.00 0.00 C ATOM 1459 C TRP A 99 22.662 10.721 -5.491 1.00 0.00 C ATOM 1460 O TRP A 99 22.567 10.211 -6.609 1.00 0.00 O ATOM 1461 CB TRP A 99 21.179 9.007 -4.319 1.00 0.00 C ATOM 1462 CG TRP A 99 20.026 8.696 -3.412 1.00 0.00 C ATOM 1463 CD1 TRP A 99 18.826 8.279 -3.858 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.906 8.737 -1.950 1.00 0.00 C ATOM 1465 NE1 TRP A 99 17.981 8.035 -2.794 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.624 8.215 -1.594 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.741 9.132 -0.883 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.216 8.006 -0.270 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 20.324 8.988 0.458 1.00 0.00 C ATOM 1470 CH2 TRP A 99 19.077 8.408 0.768 1.00 0.00 C ATOM 0 H TRP A 99 19.715 10.927 -5.181 1.00 0.00 H new ATOM 0 HA TRP A 99 22.067 10.719 -3.445 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.924 8.669 -5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.037 8.419 -3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 99 18.563 8.154 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 99 17.004 7.757 -2.887 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.714 9.551 -1.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.263 7.547 -0.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 20.968 9.326 1.256 1.00 0.00 H new ATOM 0 HH2 TRP A 99 18.784 8.273 1.799 1.00 0.00 H new ATOM 1481 N GLN A 100 23.666 11.539 -5.170 1.00 0.00 N ATOM 1482 CA GLN A 100 24.673 11.999 -6.134 1.00 0.00 C ATOM 1483 C GLN A 100 25.756 10.919 -6.351 1.00 0.00 C ATOM 1484 O GLN A 100 26.392 10.475 -5.392 1.00 0.00 O ATOM 1485 CB GLN A 100 25.273 13.336 -5.659 1.00 0.00 C ATOM 1486 CG GLN A 100 24.198 14.398 -5.346 1.00 0.00 C ATOM 1487 CD GLN A 100 24.752 15.816 -5.188 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.946 16.055 -5.050 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.899 16.812 -5.206 1.00 0.00 N ATOM 0 H GLN A 100 23.806 11.905 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 100 24.199 12.169 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.875 13.162 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.944 13.721 -6.427 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.456 14.396 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.680 14.117 -4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.902 16.628 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.232 17.771 -5.106 1.00 0.00 H new ATOM 1498 N LEU A 101 25.965 10.501 -7.606 1.00 0.00 N ATOM 1499 CA LEU A 101 26.917 9.455 -8.029 1.00 0.00 C ATOM 1500 C LEU A 101 27.571 9.835 -9.375 1.00 0.00 C ATOM 1501 O LEU A 101 27.123 10.766 -10.051 1.00 0.00 O ATOM 1502 CB LEU A 101 26.178 8.099 -8.143 1.00 0.00 C ATOM 1503 CG LEU A 101 25.715 7.444 -6.824 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.962 6.151 -7.133 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.877 7.087 -5.905 1.00 0.00 C ATOM 0 H LEU A 101 25.453 10.899 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 101 27.707 9.366 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.303 8.242 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.834 7.397 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 101 25.082 8.174 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.635 5.689 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.093 6.375 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.620 5.465 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.493 6.630 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.539 6.385 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.432 7.991 -5.652 1.00 0.00 H new ATOM 1517 N GLU A 102 28.619 9.109 -9.779 1.00 0.00 N ATOM 1518 CA GLU A 102 29.287 9.274 -11.072 1.00 0.00 C ATOM 1519 C GLU A 102 28.453 8.725 -12.246 1.00 0.00 C ATOM 1520 O GLU A 102 27.345 8.206 -12.081 1.00 0.00 O ATOM 1521 CB GLU A 102 30.727 8.719 -11.018 1.00 0.00 C ATOM 1522 CG GLU A 102 30.875 7.219 -10.725 1.00 0.00 C ATOM 1523 CD GLU A 102 30.965 6.914 -9.211 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.928 6.972 -8.509 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.083 6.621 -8.720 1.00 0.00 O ATOM 0 H GLU A 102 29.034 8.376 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 102 29.370 10.342 -11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 102 31.209 8.929 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.277 9.271 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.025 6.684 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.769 6.842 -11.221 1.00 0.00 H new ATOM 1532 N ASP A 103 28.974 8.871 -13.467 1.00 0.00 N ATOM 1533 CA ASP A 103 28.249 8.620 -14.718 1.00 0.00 C ATOM 1534 C ASP A 103 28.893 7.515 -15.585 1.00 0.00 C ATOM 1535 O ASP A 103 29.861 7.798 -16.295 1.00 0.00 O ATOM 1536 CB ASP A 103 28.097 9.968 -15.438 1.00 0.00 C ATOM 1537 CG ASP A 103 26.896 9.936 -16.382 1.00 0.00 C ATOM 1538 OD1 ASP A 103 25.769 10.161 -15.883 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.038 9.657 -17.591 1.00 0.00 O ATOM 0 H ASP A 103 29.936 9.175 -13.618 1.00 0.00 H new ATOM 0 HA ASP A 103 27.261 8.214 -14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 103 27.971 10.766 -14.706 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.004 10.191 -16.000 1.00 0.00 H new ATOM 1544 N PRO A 104 28.392 6.254 -15.529 1.00 0.00 N ATOM 1545 CA PRO A 104 29.017 5.091 -16.180 1.00 0.00 C ATOM 1546 C PRO A 104 28.942 5.029 -17.715 1.00 0.00 C ATOM 1547 O PRO A 104 29.680 4.259 -18.322 1.00 0.00 O ATOM 1548 CB PRO A 104 28.332 3.865 -15.575 1.00 0.00 C ATOM 1549 CG PRO A 104 27.828 4.351 -14.228 1.00 0.00 C ATOM 1550 CD PRO A 104 27.397 5.771 -14.573 1.00 0.00 C ATOM 0 HA PRO A 104 30.089 5.152 -15.994 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.514 3.514 -16.204 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.028 3.033 -15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.000 3.748 -13.856 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.606 4.330 -13.465 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.397 5.784 -15.006 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.368 6.400 -13.684 1.00 0.00 H new ATOM 1558 N ASP A 105 28.078 5.820 -18.351 1.00 0.00 N ATOM 1559 CA ASP A 105 27.843 5.846 -19.804 1.00 0.00 C ATOM 1560 C ASP A 105 29.151 6.122 -20.586 1.00 0.00 C ATOM 1561 O ASP A 105 29.626 7.259 -20.662 1.00 0.00 O ATOM 1562 CB ASP A 105 26.764 6.921 -20.047 1.00 0.00 C ATOM 1563 CG ASP A 105 26.263 7.107 -21.491 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.775 6.483 -22.447 1.00 0.00 O ATOM 1565 OD2 ASP A 105 25.291 7.882 -21.666 1.00 0.00 O ATOM 0 H ASP A 105 27.495 6.491 -17.851 1.00 0.00 H new ATOM 0 HA ASP A 105 27.499 4.879 -20.170 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.905 6.684 -19.420 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.157 7.877 -19.701 1.00 0.00 H new ATOM 1570 N GLY A 106 29.755 5.055 -21.137 1.00 0.00 N ATOM 1571 CA GLY A 106 31.032 5.105 -21.864 1.00 0.00 C ATOM 1572 C GLY A 106 32.298 4.995 -20.994 1.00 0.00 C ATOM 1573 O GLY A 106 33.387 5.298 -21.487 1.00 0.00 O ATOM 0 H GLY A 106 29.360 4.116 -21.088 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.045 4.297 -22.596 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.076 6.041 -22.421 1.00 0.00 H new ATOM 1577 N GLN A 107 32.178 4.579 -19.725 1.00 0.00 N ATOM 1578 CA GLN A 107 33.300 4.408 -18.787 1.00 0.00 C ATOM 1579 C GLN A 107 33.889 2.982 -18.852 1.00 0.00 C ATOM 1580 O GLN A 107 34.627 2.650 -19.780 1.00 0.00 O ATOM 1581 CB GLN A 107 32.893 4.812 -17.353 1.00 0.00 C ATOM 1582 CG GLN A 107 32.267 6.196 -17.189 1.00 0.00 C ATOM 1583 CD GLN A 107 33.154 7.403 -17.474 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.335 7.322 -17.786 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.591 8.586 -17.355 1.00 0.00 N ATOM 0 H GLN A 107 31.276 4.346 -19.311 1.00 0.00 H new ATOM 0 HA GLN A 107 34.098 5.084 -19.096 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.188 4.071 -16.977 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.778 4.760 -16.719 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.398 6.253 -17.845 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.900 6.281 -16.166 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.607 8.659 -17.095 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.138 9.430 -17.522 1.00 0.00 H new ATOM 1594 N SER A 108 33.572 2.138 -17.861 1.00 0.00 N ATOM 1595 CA SER A 108 34.013 0.744 -17.733 1.00 0.00 C ATOM 1596 C SER A 108 33.013 -0.064 -16.902 1.00 0.00 C ATOM 1597 O SER A 108 32.201 0.505 -16.165 1.00 0.00 O ATOM 1598 CB SER A 108 35.403 0.684 -17.078 1.00 0.00 C ATOM 1599 OG SER A 108 35.326 0.997 -15.693 1.00 0.00 O ATOM 0 H SER A 108 32.971 2.424 -17.088 1.00 0.00 H new ATOM 0 HA SER A 108 34.069 0.310 -18.731 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.827 -0.312 -17.207 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.074 1.383 -17.576 1.00 0.00 H new ATOM 0 HG SER A 108 36.221 0.951 -15.297 1.00 0.00 H new ATOM 1605 N LEU A 109 33.084 -1.397 -16.965 1.00 0.00 N ATOM 1606 CA LEU A 109 32.214 -2.281 -16.171 1.00 0.00 C ATOM 1607 C LEU A 109 32.447 -2.105 -14.670 1.00 0.00 C ATOM 1608 O LEU A 109 31.505 -2.082 -13.892 1.00 0.00 O ATOM 1609 CB LEU A 109 32.442 -3.746 -16.580 1.00 0.00 C ATOM 1610 CG LEU A 109 32.245 -4.047 -18.075 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.365 -5.553 -18.272 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.896 -3.558 -18.608 1.00 0.00 C ATOM 0 H LEU A 109 33.742 -1.896 -17.564 1.00 0.00 H new ATOM 0 HA LEU A 109 31.179 -2.006 -16.376 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.456 -4.031 -16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.763 -4.377 -16.006 1.00 0.00 H new ATOM 0 HG LEU A 109 33.010 -3.510 -18.636 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.229 -5.794 -19.326 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.352 -5.885 -17.948 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.600 -6.059 -17.683 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.815 -3.799 -19.668 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.090 -4.048 -18.062 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.821 -2.479 -18.474 1.00 0.00 H new ATOM 1624 N GLU A 110 33.694 -1.894 -14.263 1.00 0.00 N ATOM 1625 CA GLU A 110 34.044 -1.586 -12.868 1.00 0.00 C ATOM 1626 C GLU A 110 33.366 -0.299 -12.372 1.00 0.00 C ATOM 1627 O GLU A 110 32.852 -0.265 -11.253 1.00 0.00 O ATOM 1628 CB GLU A 110 35.574 -1.516 -12.736 1.00 0.00 C ATOM 1629 CG GLU A 110 36.032 -1.349 -11.284 1.00 0.00 C ATOM 1630 CD GLU A 110 37.568 -1.405 -11.182 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.228 -0.340 -11.284 1.00 0.00 O ATOM 1632 OE2 GLU A 110 38.130 -2.512 -10.989 1.00 0.00 O ATOM 0 H GLU A 110 34.499 -1.930 -14.889 1.00 0.00 H new ATOM 0 HA GLU A 110 33.669 -2.385 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU A 110 36.013 -2.424 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.949 -0.682 -13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.672 -0.398 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.594 -2.134 -10.668 1.00 0.00 H new ATOM 1639 N VAL A 111 33.274 0.740 -13.210 1.00 0.00 N ATOM 1640 CA VAL A 111 32.542 1.975 -12.872 1.00 0.00 C ATOM 1641 C VAL A 111 31.028 1.740 -12.855 1.00 0.00 C ATOM 1642 O VAL A 111 30.364 2.233 -11.942 1.00 0.00 O ATOM 1643 CB VAL A 111 32.944 3.123 -13.814 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.076 4.374 -13.632 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.399 3.541 -13.559 1.00 0.00 C ATOM 0 H VAL A 111 33.700 0.753 -14.137 1.00 0.00 H new ATOM 0 HA VAL A 111 32.822 2.273 -11.862 1.00 0.00 H new ATOM 0 HB VAL A 111 32.808 2.738 -14.825 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.406 5.150 -14.323 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.034 4.127 -13.835 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.170 4.736 -12.608 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.668 4.354 -14.234 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.506 3.875 -12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.058 2.691 -13.735 1.00 0.00 H new ATOM 1655 N PHE A 112 30.469 0.932 -13.769 1.00 0.00 N ATOM 1656 CA PHE A 112 29.050 0.548 -13.684 1.00 0.00 C ATOM 1657 C PHE A 112 28.747 -0.204 -12.386 1.00 0.00 C ATOM 1658 O PHE A 112 27.819 0.164 -11.677 1.00 0.00 O ATOM 1659 CB PHE A 112 28.645 -0.318 -14.882 1.00 0.00 C ATOM 1660 CG PHE A 112 28.063 0.434 -16.052 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.692 0.759 -16.061 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.880 0.802 -17.133 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.146 1.470 -17.144 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.337 1.516 -18.212 1.00 0.00 C ATOM 1665 CZ PHE A 112 26.976 1.862 -18.208 1.00 0.00 C ATOM 0 H PHE A 112 30.969 0.536 -14.565 1.00 0.00 H new ATOM 0 HA PHE A 112 28.469 1.470 -13.694 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.521 -0.868 -15.224 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.916 -1.056 -14.546 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.061 0.462 -15.236 1.00 0.00 H new ATOM 0 HD2 PHE A 112 29.927 0.535 -17.134 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.094 1.714 -17.158 1.00 0.00 H new ATOM 0 HE2 PHE A 112 28.965 1.799 -19.044 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.565 2.433 -19.027 1.00 0.00 H new ATOM 1675 N ARG A 113 29.563 -1.198 -12.021 1.00 0.00 N ATOM 1676 CA ARG A 113 29.430 -1.979 -10.772 1.00 0.00 C ATOM 1677 C ARG A 113 29.577 -1.093 -9.529 1.00 0.00 C ATOM 1678 O ARG A 113 28.801 -1.228 -8.586 1.00 0.00 O ATOM 1679 CB ARG A 113 30.470 -3.114 -10.771 1.00 0.00 C ATOM 1680 CG ARG A 113 30.172 -4.190 -11.833 1.00 0.00 C ATOM 1681 CD ARG A 113 31.345 -5.165 -11.945 1.00 0.00 C ATOM 1682 NE ARG A 113 31.142 -6.185 -12.993 1.00 0.00 N ATOM 1683 CZ ARG A 113 32.060 -6.696 -13.795 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.297 -6.280 -13.809 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.750 -7.660 -14.603 1.00 0.00 N ATOM 0 H ARG A 113 30.354 -1.494 -12.593 1.00 0.00 H new ATOM 0 HA ARG A 113 28.428 -2.407 -10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.460 -2.695 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.495 -3.578 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.264 -4.732 -11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.990 -3.717 -12.798 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.256 -4.607 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.493 -5.661 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 113 30.190 -6.533 -13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.590 -5.530 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 113 33.971 -6.705 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.798 -8.025 -14.620 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.458 -8.054 -15.222 1.00 0.00 H new ATOM 1699 N THR A 114 30.494 -0.122 -9.570 1.00 0.00 N ATOM 1700 CA THR A 114 30.706 0.868 -8.490 1.00 0.00 C ATOM 1701 C THR A 114 29.467 1.741 -8.264 1.00 0.00 C ATOM 1702 O THR A 114 29.103 2.026 -7.124 1.00 0.00 O ATOM 1703 CB THR A 114 31.931 1.750 -8.802 1.00 0.00 C ATOM 1704 OG1 THR A 114 33.098 0.958 -8.822 1.00 0.00 O ATOM 1705 CG2 THR A 114 32.176 2.844 -7.764 1.00 0.00 C ATOM 0 H THR A 114 31.123 0.007 -10.362 1.00 0.00 H new ATOM 0 HA THR A 114 30.890 0.313 -7.570 1.00 0.00 H new ATOM 0 HB THR A 114 31.717 2.214 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 114 33.073 0.359 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 114 33.053 3.425 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.307 3.500 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.343 2.389 -6.788 1.00 0.00 H new ATOM 1713 N VAL A 115 28.774 2.132 -9.339 1.00 0.00 N ATOM 1714 CA VAL A 115 27.495 2.865 -9.257 1.00 0.00 C ATOM 1715 C VAL A 115 26.343 1.943 -8.852 1.00 0.00 C ATOM 1716 O VAL A 115 25.592 2.287 -7.944 1.00 0.00 O ATOM 1717 CB VAL A 115 27.246 3.609 -10.584 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.824 4.152 -10.753 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.191 4.809 -10.662 1.00 0.00 C ATOM 0 H VAL A 115 29.081 1.951 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 115 27.553 3.613 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 115 27.413 2.872 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.740 4.660 -11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 115 25.113 3.327 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.606 4.856 -9.950 1.00 0.00 H new ATOM 0 HG21 VAL A 115 28.024 5.343 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 115 28.000 5.478 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.224 4.462 -10.622 1.00 0.00 H new ATOM 1729 N ARG A 116 26.226 0.758 -9.463 1.00 0.00 N ATOM 1730 CA ARG A 116 25.154 -0.240 -9.235 1.00 0.00 C ATOM 1731 C ARG A 116 24.985 -0.577 -7.753 1.00 0.00 C ATOM 1732 O ARG A 116 23.875 -0.498 -7.246 1.00 0.00 O ATOM 1733 CB ARG A 116 25.473 -1.495 -10.085 1.00 0.00 C ATOM 1734 CG ARG A 116 24.367 -2.564 -10.037 1.00 0.00 C ATOM 1735 CD ARG A 116 24.796 -3.887 -10.684 1.00 0.00 C ATOM 1736 NE ARG A 116 25.831 -4.582 -9.878 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.729 -5.449 -10.316 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.707 -5.877 -11.539 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.673 -5.890 -9.543 1.00 0.00 N ATOM 0 H ARG A 116 26.901 0.447 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 116 24.197 0.178 -9.547 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.631 -1.193 -11.120 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.407 -1.934 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.087 -2.745 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.480 -2.186 -10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.927 -4.535 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.183 -3.694 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 116 25.852 -4.368 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.989 -5.545 -12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.408 -6.546 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.733 -5.568 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.355 -6.558 -9.901 1.00 0.00 H new ATOM 1753 N GLY A 117 26.078 -0.881 -7.054 1.00 0.00 N ATOM 1754 CA GLY A 117 26.057 -1.223 -5.620 1.00 0.00 C ATOM 1755 C GLY A 117 25.525 -0.092 -4.732 1.00 0.00 C ATOM 1756 O GLY A 117 24.783 -0.344 -3.784 1.00 0.00 O ATOM 0 H GLY A 117 27.012 -0.899 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.440 -2.110 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 117 27.067 -1.481 -5.301 1.00 0.00 H new ATOM 1760 N GLN A 118 25.815 1.166 -5.090 1.00 0.00 N ATOM 1761 CA GLN A 118 25.314 2.331 -4.351 1.00 0.00 C ATOM 1762 C GLN A 118 23.848 2.626 -4.694 1.00 0.00 C ATOM 1763 O GLN A 118 23.030 2.744 -3.787 1.00 0.00 O ATOM 1764 CB GLN A 118 26.239 3.542 -4.570 1.00 0.00 C ATOM 1765 CG GLN A 118 27.642 3.291 -3.981 1.00 0.00 C ATOM 1766 CD GLN A 118 28.614 4.422 -4.303 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.766 5.379 -3.554 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.298 4.358 -5.426 1.00 0.00 N ATOM 0 H GLN A 118 26.398 1.403 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 118 25.330 2.104 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.322 3.750 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.801 4.426 -4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.565 3.177 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.036 2.353 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.175 3.563 -6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.951 5.103 -5.669 1.00 0.00 H new ATOM 1777 N VAL A 119 23.465 2.636 -5.979 1.00 0.00 N ATOM 1778 CA VAL A 119 22.051 2.768 -6.409 1.00 0.00 C ATOM 1779 C VAL A 119 21.166 1.697 -5.745 1.00 0.00 C ATOM 1780 O VAL A 119 20.089 2.017 -5.245 1.00 0.00 O ATOM 1781 CB VAL A 119 21.924 2.730 -7.952 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.473 2.857 -8.411 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.668 3.898 -8.612 1.00 0.00 C ATOM 0 H VAL A 119 24.121 2.553 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 119 21.694 3.743 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 119 22.347 1.769 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.432 2.825 -9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.888 2.033 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.062 3.803 -8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.555 3.836 -9.694 1.00 0.00 H new ATOM 0 HG22 VAL A 119 22.252 4.841 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.726 3.848 -8.354 1.00 0.00 H new ATOM 1793 N LYS A 120 21.653 0.450 -5.655 1.00 0.00 N ATOM 1794 CA LYS A 120 21.005 -0.647 -4.916 1.00 0.00 C ATOM 1795 C LYS A 120 20.807 -0.296 -3.443 1.00 0.00 C ATOM 1796 O LYS A 120 19.676 -0.315 -2.969 1.00 0.00 O ATOM 1797 CB LYS A 120 21.842 -1.930 -5.064 1.00 0.00 C ATOM 1798 CG LYS A 120 21.169 -3.107 -4.347 1.00 0.00 C ATOM 1799 CD LYS A 120 21.959 -4.410 -4.494 1.00 0.00 C ATOM 1800 CE LYS A 120 21.172 -5.554 -3.834 1.00 0.00 C ATOM 1801 NZ LYS A 120 21.615 -5.808 -2.432 1.00 0.00 N ATOM 0 H LYS A 120 22.526 0.169 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 120 20.015 -0.810 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.969 -2.167 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.838 -1.769 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.059 -2.869 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.165 -3.247 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.129 -4.630 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.939 -4.310 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.109 -5.312 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 120 21.294 -6.463 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.182 -6.688 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.651 -5.898 -2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 21.321 -5.016 -1.826 1.00 0.00 H new ATOM 1815 N GLU A 121 21.879 0.038 -2.720 1.00 0.00 N ATOM 1816 CA GLU A 121 21.792 0.267 -1.269 1.00 0.00 C ATOM 1817 C GLU A 121 20.919 1.470 -0.928 1.00 0.00 C ATOM 1818 O GLU A 121 20.164 1.400 0.035 1.00 0.00 O ATOM 1819 CB GLU A 121 23.188 0.321 -0.608 1.00 0.00 C ATOM 1820 CG GLU A 121 23.870 1.695 -0.627 1.00 0.00 C ATOM 1821 CD GLU A 121 25.111 1.753 0.279 1.00 0.00 C ATOM 1822 OE1 GLU A 121 26.092 1.004 0.054 1.00 0.00 O ATOM 1823 OE2 GLU A 121 25.098 2.583 1.222 1.00 0.00 O ATOM 0 H GLU A 121 22.814 0.156 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 121 21.288 -0.597 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.094 -0.005 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.838 -0.396 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.160 1.938 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.156 2.455 -0.308 1.00 0.00 H new ATOM 1830 N ARG A 122 20.934 2.539 -1.738 1.00 0.00 N ATOM 1831 CA ARG A 122 20.069 3.703 -1.500 1.00 0.00 C ATOM 1832 C ARG A 122 18.601 3.298 -1.614 1.00 0.00 C ATOM 1833 O ARG A 122 17.826 3.625 -0.721 1.00 0.00 O ATOM 1834 CB ARG A 122 20.441 4.858 -2.452 1.00 0.00 C ATOM 1835 CG ARG A 122 21.857 5.439 -2.268 1.00 0.00 C ATOM 1836 CD ARG A 122 22.136 6.082 -0.904 1.00 0.00 C ATOM 1837 NE ARG A 122 22.669 5.127 0.098 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.563 5.212 1.415 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.837 6.124 1.993 1.00 0.00 N ATOM 1840 NH2 ARG A 122 23.193 4.377 2.185 1.00 0.00 N ATOM 0 H ARG A 122 21.533 2.621 -2.560 1.00 0.00 H new ATOM 0 HA ARG A 122 20.225 4.069 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.342 4.506 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.717 5.662 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.582 4.641 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.028 6.186 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.848 6.897 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.215 6.522 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 122 23.171 4.318 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.327 6.803 1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.778 6.160 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 122 23.776 3.647 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 122 23.104 4.451 3.198 1.00 0.00 H new ATOM 1854 N VAL A 123 18.238 2.481 -2.603 1.00 0.00 N ATOM 1855 CA VAL A 123 16.896 1.885 -2.690 1.00 0.00 C ATOM 1856 C VAL A 123 16.576 0.937 -1.536 1.00 0.00 C ATOM 1857 O VAL A 123 15.532 1.124 -0.921 1.00 0.00 O ATOM 1858 CB VAL A 123 16.692 1.237 -4.076 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.566 0.206 -4.111 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.405 2.332 -5.108 1.00 0.00 C ATOM 0 H VAL A 123 18.860 2.212 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 123 16.171 2.692 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 123 17.613 0.703 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.482 -0.207 -5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.785 -0.596 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.626 0.684 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.260 1.879 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.504 2.874 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.247 3.023 -5.149 1.00 0.00 H new ATOM 1870 N GLU A 124 17.430 -0.025 -1.170 1.00 0.00 N ATOM 1871 CA GLU A 124 17.146 -0.902 -0.015 1.00 0.00 C ATOM 1872 C GLU A 124 16.961 -0.125 1.288 1.00 0.00 C ATOM 1873 O GLU A 124 16.083 -0.456 2.085 1.00 0.00 O ATOM 1874 CB GLU A 124 18.245 -1.950 0.170 1.00 0.00 C ATOM 1875 CG GLU A 124 18.330 -2.928 -0.992 1.00 0.00 C ATOM 1876 CD GLU A 124 19.373 -4.018 -0.685 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.590 -3.773 -0.861 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.991 -5.145 -0.290 1.00 0.00 O ATOM 0 H GLU A 124 18.312 -0.219 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 124 16.204 -1.400 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.205 -1.446 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.062 -2.503 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.356 -3.384 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.603 -2.399 -1.905 1.00 0.00 H new ATOM 1885 N ASN A 125 17.725 0.954 1.467 1.00 0.00 N ATOM 1886 CA ASN A 125 17.604 1.781 2.662 1.00 0.00 C ATOM 1887 C ASN A 125 16.332 2.648 2.660 1.00 0.00 C ATOM 1888 O ASN A 125 15.822 3.005 3.718 1.00 0.00 O ATOM 1889 CB ASN A 125 18.917 2.555 2.906 1.00 0.00 C ATOM 1890 CG ASN A 125 18.790 4.069 2.924 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.856 4.719 3.954 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.603 4.672 1.775 1.00 0.00 N ATOM 0 H ASN A 125 18.430 1.272 0.802 1.00 0.00 H new ATOM 0 HA ASN A 125 17.464 1.132 3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.337 2.232 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.632 2.277 2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.512 5.687 1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.548 4.126 0.915 1.00 0.00 H new ATOM 1899 N LEU A 126 15.815 2.970 1.472 1.00 0.00 N ATOM 1900 CA LEU A 126 14.597 3.751 1.275 1.00 0.00 C ATOM 1901 C LEU A 126 13.344 2.888 1.421 1.00 0.00 C ATOM 1902 O LEU A 126 12.443 3.253 2.169 1.00 0.00 O ATOM 1903 CB LEU A 126 14.712 4.424 -0.108 1.00 0.00 C ATOM 1904 CG LEU A 126 13.470 5.201 -0.557 1.00 0.00 C ATOM 1905 CD1 LEU A 126 13.219 6.431 0.313 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.647 5.611 -2.014 1.00 0.00 C ATOM 0 H LEU A 126 16.248 2.684 0.594 1.00 0.00 H new ATOM 0 HA LEU A 126 14.494 4.517 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.563 5.105 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.930 3.657 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 126 12.600 4.553 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.329 6.952 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.071 6.121 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 126 14.078 7.100 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.769 6.165 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.531 6.241 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.768 4.720 -2.631 1.00 0.00 H new ATOM 1918 N ILE A 127 13.270 1.727 0.761 1.00 0.00 N ATOM 1919 CA ILE A 127 12.044 0.901 0.793 1.00 0.00 C ATOM 1920 C ILE A 127 11.734 0.371 2.189 1.00 0.00 C ATOM 1921 O ILE A 127 10.567 0.217 2.530 1.00 0.00 O ATOM 1922 CB ILE A 127 12.055 -0.236 -0.251 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.180 -1.281 -0.033 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.068 0.391 -1.658 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.438 -2.221 -1.213 1.00 0.00 C ATOM 0 H ILE A 127 14.030 1.337 0.204 1.00 0.00 H new ATOM 0 HA ILE A 127 11.233 1.574 0.515 1.00 0.00 H new ATOM 0 HB ILE A 127 11.145 -0.824 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.105 -0.752 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.930 -1.882 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.076 -0.399 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.179 1.008 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.958 1.009 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.242 -2.912 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.532 -2.785 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.724 -1.637 -2.088 1.00 0.00 H new ATOM 1937 N ALA A 128 12.749 0.188 3.033 1.00 0.00 N ATOM 1938 CA ALA A 128 12.534 -0.200 4.423 1.00 0.00 C ATOM 1939 C ALA A 128 11.859 0.910 5.268 1.00 0.00 C ATOM 1940 O ALA A 128 11.226 0.607 6.282 1.00 0.00 O ATOM 1941 CB ALA A 128 13.884 -0.628 5.012 1.00 0.00 C ATOM 0 H ALA A 128 13.729 0.303 2.776 1.00 0.00 H new ATOM 0 HA ALA A 128 11.832 -1.034 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.750 -0.923 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.278 -1.470 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.585 0.205 4.959 1.00 0.00 H new ATOM 1947 N LYS A 129 11.948 2.184 4.840 1.00 0.00 N ATOM 1948 CA LYS A 129 11.288 3.336 5.489 1.00 0.00 C ATOM 1949 C LYS A 129 9.838 3.539 5.029 1.00 0.00 C ATOM 1950 O LYS A 129 8.987 3.855 5.860 1.00 0.00 O ATOM 1951 CB LYS A 129 12.107 4.620 5.248 1.00 0.00 C ATOM 1952 CG LYS A 129 13.511 4.554 5.865 1.00 0.00 C ATOM 1953 CD LYS A 129 14.323 5.812 5.512 1.00 0.00 C ATOM 1954 CE LYS A 129 15.787 5.737 5.975 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.927 5.794 7.462 1.00 0.00 N ATOM 0 H LYS A 129 12.491 2.448 4.018 1.00 0.00 H new ATOM 0 HA LYS A 129 11.249 3.115 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.194 4.794 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.571 5.472 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.433 4.458 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.031 3.667 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.297 5.962 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.849 6.682 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.233 4.813 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.347 6.560 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.933 5.740 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.528 6.687 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.417 4.995 7.890 1.00 0.00 H new ATOM 1969 N ILE A 130 9.561 3.369 3.727 1.00 0.00 N ATOM 1970 CA ILE A 130 8.265 3.736 3.105 1.00 0.00 C ATOM 1971 C ILE A 130 7.352 2.563 2.688 1.00 0.00 C ATOM 1972 O ILE A 130 6.288 2.797 2.114 1.00 0.00 O ATOM 1973 CB ILE A 130 8.430 4.830 2.019 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.424 4.512 0.881 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.877 6.137 2.691 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.012 3.328 0.008 1.00 0.00 C ATOM 0 H ILE A 130 10.229 2.971 3.067 1.00 0.00 H new ATOM 0 HA ILE A 130 7.692 4.181 3.918 1.00 0.00 H new ATOM 0 HB ILE A 130 7.451 4.902 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.533 5.394 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.403 4.307 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.996 6.913 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.125 6.449 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.828 5.978 3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.762 3.169 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.932 2.432 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 130 8.048 3.536 -0.456 1.00 0.00 H new ATOM 1988 N SER A 131 7.725 1.316 2.993 1.00 0.00 N ATOM 1989 CA SER A 131 6.858 0.126 2.852 1.00 0.00 C ATOM 1990 C SER A 131 5.542 0.280 3.636 1.00 0.00 C ATOM 1991 O SER A 131 4.464 0.104 3.023 1.00 0.00 O ATOM 1992 CB SER A 131 7.637 -1.093 3.329 1.00 0.00 C ATOM 1993 OG SER A 131 6.943 -2.304 3.072 1.00 0.00 O ATOM 1994 OXT SER A 131 5.587 0.567 4.856 1.00 0.00 O ATOM 0 H SER A 131 8.654 1.094 3.352 1.00 0.00 H new ATOM 0 HA SER A 131 6.581 0.007 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.607 -1.119 2.833 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.828 -1.005 4.399 1.00 0.00 H new ATOM 0 HG SER A 131 6.719 -2.739 3.921 1.00 0.00 H new TER 2000 SER A 131