USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 64 HIS : no HE2:sc= 0.358 K(o=0.86,f=-7.2!) USER MOD Set 1.2: A 79 THR OG1 : rot -178:sc= 0.506 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 153:sc= 1.62 (180deg=0.457) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.398 K(o=1.2,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.933 (180deg=0.143) USER MOD Single : A 9 LYS NZ :NH3+ 140:sc= 0.765 (180deg=0.239) USER MOD Single : A 13 TYR OH : rot 120:sc= -0.462 USER MOD Single : A 15 MET CE :methyl 165:sc= -0.709 (180deg=-1.38) USER MOD Single : A 22 SER OG : rot -45:sc= 0.273 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= -1.47! USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl -122:sc= -0.195 (180deg=-1.7!) USER MOD Single : A 44 ASN : amide:sc= -2.41! C(o=-2.4!,f=-4.8!) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0.914 (180deg=0.904) USER MOD Single : A 49 MET CE :methyl -107:sc= -0.245 (180deg=-5.2!) USER MOD Single : A 51 TYR OH : rot 129:sc= 0.428 USER MOD Single : A 56 MET CE :methyl -161:sc= -3.7! (180deg=-3.89!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -142:sc= -0.181 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -2:sc= 0.398 USER MOD Single : A 82 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.14) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.2) USER MOD Single : A 87 SER OG : rot 80:sc= 0.916 USER MOD Single : A 101 PNS O33 : rot -157:sc= 0.0698 USER MOD Single : A 101 PNS S44 : rot 100:sc= -1.81 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.083 8.233 -6.536 1.00 0.00 N ATOM 2 CA MET A 1 12.175 6.757 -6.514 1.00 0.00 C ATOM 3 C MET A 1 12.495 6.266 -5.090 1.00 0.00 C ATOM 4 O MET A 1 13.418 6.776 -4.440 1.00 0.00 O ATOM 5 CB MET A 1 13.249 6.237 -7.520 1.00 0.00 C ATOM 6 CG MET A 1 14.703 6.668 -7.219 1.00 0.00 C ATOM 7 SD MET A 1 14.905 8.467 -7.170 1.00 0.00 S ATOM 8 CE MET A 1 16.617 8.648 -6.659 1.00 0.00 C ATOM 0 H1 MET A 1 11.413 8.528 -7.275 1.00 0.00 H new ATOM 0 H2 MET A 1 11.751 8.574 -5.611 1.00 0.00 H new ATOM 0 H3 MET A 1 13.020 8.636 -6.737 1.00 0.00 H new ATOM 0 HA MET A 1 11.209 6.356 -6.821 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.207 5.148 -7.539 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.985 6.584 -8.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.012 6.246 -6.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.365 6.253 -7.979 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.866 9.707 -6.591 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.758 8.179 -5.685 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.268 8.168 -7.390 1.00 0.00 H new ATOM 20 N ASP A 2 11.726 5.273 -4.621 1.00 0.00 N ATOM 21 CA ASP A 2 11.892 4.669 -3.289 1.00 0.00 C ATOM 22 C ASP A 2 11.054 3.390 -3.182 1.00 0.00 C ATOM 23 O ASP A 2 9.876 3.388 -3.549 1.00 0.00 O ATOM 24 CB ASP A 2 11.533 5.664 -2.148 1.00 0.00 C ATOM 25 CG ASP A 2 10.156 6.324 -2.295 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.050 7.315 -3.055 1.00 0.00 O ATOM 27 OD2 ASP A 2 9.177 5.866 -1.667 1.00 0.00 O ATOM 0 H ASP A 2 10.964 4.862 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 2 12.945 4.414 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.569 5.135 -1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.294 6.443 -2.109 1.00 0.00 H new ATOM 32 N GLY A 3 11.694 2.304 -2.708 1.00 0.00 N ATOM 33 CA GLY A 3 11.045 1.013 -2.490 1.00 0.00 C ATOM 34 C GLY A 3 10.767 0.755 -1.014 1.00 0.00 C ATOM 35 O GLY A 3 9.638 0.431 -0.639 1.00 0.00 O ATOM 0 H GLY A 3 12.685 2.306 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.108 0.980 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.678 0.218 -2.884 1.00 0.00 H new ATOM 39 N GLU A 4 11.798 0.913 -0.162 1.00 0.00 N ATOM 40 CA GLU A 4 11.684 0.638 1.290 1.00 0.00 C ATOM 41 C GLU A 4 10.953 1.787 2.011 1.00 0.00 C ATOM 42 O GLU A 4 10.242 1.556 2.989 1.00 0.00 O ATOM 43 CB GLU A 4 13.087 0.382 1.917 1.00 0.00 C ATOM 44 CG GLU A 4 14.007 1.616 1.974 1.00 0.00 C ATOM 45 CD GLU A 4 15.418 1.306 2.499 1.00 0.00 C ATOM 46 OE1 GLU A 4 15.561 0.989 3.696 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.388 1.374 1.713 1.00 0.00 O ATOM 0 H GLU A 4 12.723 1.230 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 4 11.090 -0.267 1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.952 0.000 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.587 -0.400 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.086 2.047 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.549 2.372 2.612 1.00 0.00 H new ATOM 54 N GLU A 5 11.119 3.020 1.496 1.00 0.00 N ATOM 55 CA GLU A 5 10.573 4.232 2.124 1.00 0.00 C ATOM 56 C GLU A 5 9.052 4.346 1.902 1.00 0.00 C ATOM 57 O GLU A 5 8.344 4.875 2.754 1.00 0.00 O ATOM 58 CB GLU A 5 11.302 5.475 1.574 1.00 0.00 C ATOM 59 CG GLU A 5 12.827 5.488 1.851 1.00 0.00 C ATOM 60 CD GLU A 5 13.580 6.576 1.056 1.00 0.00 C ATOM 61 OE1 GLU A 5 13.525 7.754 1.452 1.00 0.00 O ATOM 62 OE2 GLU A 5 14.208 6.261 0.019 1.00 0.00 O ATOM 0 H GLU A 5 11.635 3.201 0.635 1.00 0.00 H new ATOM 0 HA GLU A 5 10.739 4.168 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.138 5.532 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.856 6.368 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.995 5.644 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.243 4.512 1.602 1.00 0.00 H new ATOM 69 N VAL A 6 8.561 3.879 0.743 1.00 0.00 N ATOM 70 CA VAL A 6 7.110 3.750 0.494 1.00 0.00 C ATOM 71 C VAL A 6 6.536 2.586 1.334 1.00 0.00 C ATOM 72 O VAL A 6 5.454 2.724 1.917 1.00 0.00 O ATOM 73 CB VAL A 6 6.775 3.585 -1.045 1.00 0.00 C ATOM 74 CG1 VAL A 6 7.590 2.470 -1.707 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.269 3.358 -1.280 1.00 0.00 C ATOM 0 H VAL A 6 9.145 3.583 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 6 6.630 4.677 0.807 1.00 0.00 H new ATOM 0 HB VAL A 6 7.060 4.525 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.321 2.400 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.653 2.694 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.377 1.522 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.080 3.250 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.952 2.453 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.708 4.211 -0.897 1.00 0.00 H new ATOM 85 N LYS A 7 7.295 1.467 1.429 1.00 0.00 N ATOM 86 CA LYS A 7 6.867 0.264 2.169 1.00 0.00 C ATOM 87 C LYS A 7 6.616 0.551 3.651 1.00 0.00 C ATOM 88 O LYS A 7 5.587 0.132 4.182 1.00 0.00 O ATOM 89 CB LYS A 7 7.890 -0.908 2.009 1.00 0.00 C ATOM 90 CG LYS A 7 7.712 -1.701 0.702 1.00 0.00 C ATOM 91 CD LYS A 7 8.596 -2.961 0.585 1.00 0.00 C ATOM 92 CE LYS A 7 10.092 -2.643 0.496 1.00 0.00 C ATOM 93 NZ LYS A 7 10.914 -3.863 0.327 1.00 0.00 N ATOM 0 H LYS A 7 8.214 1.377 0.996 1.00 0.00 H new ATOM 0 HA LYS A 7 5.920 -0.044 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.902 -0.505 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.787 -1.588 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.667 -1.998 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.929 -1.042 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.418 -3.603 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.298 -3.525 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.269 -1.969 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.405 -2.119 1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.796 -3.622 -0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.140 -4.262 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.385 -4.564 -0.230 1.00 0.00 H new ATOM 107 N GLU A 8 7.548 1.268 4.307 1.00 0.00 N ATOM 108 CA GLU A 8 7.414 1.588 5.740 1.00 0.00 C ATOM 109 C GLU A 8 6.196 2.515 5.984 1.00 0.00 C ATOM 110 O GLU A 8 5.439 2.290 6.928 1.00 0.00 O ATOM 111 CB GLU A 8 8.759 2.159 6.314 1.00 0.00 C ATOM 112 CG GLU A 8 9.352 3.414 5.611 1.00 0.00 C ATOM 113 CD GLU A 8 8.795 4.779 6.065 1.00 0.00 C ATOM 114 OE1 GLU A 8 7.996 4.845 7.029 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.157 5.805 5.453 1.00 0.00 O ATOM 0 H GLU A 8 8.395 1.634 3.872 1.00 0.00 H new ATOM 0 HA GLU A 8 7.215 0.670 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.602 2.402 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.506 1.366 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.431 3.416 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.185 3.316 4.538 1.00 0.00 H new ATOM 122 N LYS A 9 5.990 3.509 5.089 1.00 0.00 N ATOM 123 CA LYS A 9 4.872 4.479 5.189 1.00 0.00 C ATOM 124 C LYS A 9 3.520 3.767 5.156 1.00 0.00 C ATOM 125 O LYS A 9 2.654 4.009 6.006 1.00 0.00 O ATOM 126 CB LYS A 9 4.939 5.519 4.038 1.00 0.00 C ATOM 127 CG LYS A 9 6.064 6.548 4.191 1.00 0.00 C ATOM 128 CD LYS A 9 6.175 7.480 2.970 1.00 0.00 C ATOM 129 CE LYS A 9 7.343 8.465 3.103 1.00 0.00 C ATOM 130 NZ LYS A 9 8.637 7.750 3.291 1.00 0.00 N ATOM 0 H LYS A 9 6.591 3.662 4.279 1.00 0.00 H new ATOM 0 HA LYS A 9 4.973 4.996 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.069 4.992 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.986 6.044 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.888 7.145 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.011 6.028 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.306 6.882 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.244 8.035 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.397 9.090 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.166 9.130 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.381 8.228 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.893 7.754 4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.542 6.768 2.962 1.00 0.00 H new ATOM 144 N ILE A 10 3.363 2.885 4.170 1.00 0.00 N ATOM 145 CA ILE A 10 2.103 2.178 3.932 1.00 0.00 C ATOM 146 C ILE A 10 1.867 1.148 5.035 1.00 0.00 C ATOM 147 O ILE A 10 0.768 1.072 5.570 1.00 0.00 O ATOM 148 CB ILE A 10 2.100 1.505 2.515 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.247 2.604 1.423 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.833 0.638 2.274 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.333 2.073 0.010 1.00 0.00 C ATOM 0 H ILE A 10 4.104 2.640 3.514 1.00 0.00 H new ATOM 0 HA ILE A 10 1.285 2.899 3.954 1.00 0.00 H new ATOM 0 HB ILE A 10 2.949 0.823 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.397 3.283 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.142 3.190 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.879 0.194 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.786 -0.153 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.056 1.264 2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.434 2.906 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.199 1.418 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.428 1.512 -0.224 1.00 0.00 H new ATOM 163 N ARG A 11 2.935 0.405 5.405 1.00 0.00 N ATOM 164 CA ARG A 11 2.872 -0.646 6.446 1.00 0.00 C ATOM 165 C ARG A 11 2.492 -0.031 7.804 1.00 0.00 C ATOM 166 O ARG A 11 1.865 -0.685 8.634 1.00 0.00 O ATOM 167 CB ARG A 11 4.220 -1.466 6.489 1.00 0.00 C ATOM 168 CG ARG A 11 5.227 -1.217 7.654 1.00 0.00 C ATOM 169 CD ARG A 11 4.937 -2.101 8.881 1.00 0.00 C ATOM 170 NE ARG A 11 5.934 -1.972 9.961 1.00 0.00 N ATOM 171 CZ ARG A 11 5.750 -1.289 11.101 1.00 0.00 C ATOM 172 NH1 ARG A 11 4.613 -0.636 11.300 1.00 0.00 N ATOM 173 NH2 ARG A 11 6.647 -1.325 12.059 1.00 0.00 N ATOM 0 H ARG A 11 3.861 0.516 4.992 1.00 0.00 H new ATOM 0 HA ARG A 11 2.087 -1.359 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.960 -2.524 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.748 -1.279 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.240 -1.410 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.186 -0.168 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.953 -1.846 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.893 -3.143 8.563 1.00 0.00 H new ATOM 0 HE ARG A 11 6.832 -2.438 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.883 -0.654 10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.469 -0.115 12.165 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.497 -1.877 11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.494 -0.801 12.921 1.00 0.00 H new ATOM 187 N ARG A 12 2.886 1.233 8.000 1.00 0.00 N ATOM 188 CA ARG A 12 2.489 2.024 9.162 1.00 0.00 C ATOM 189 C ARG A 12 0.983 2.342 9.088 1.00 0.00 C ATOM 190 O ARG A 12 0.242 2.050 10.024 1.00 0.00 O ATOM 191 CB ARG A 12 3.344 3.338 9.269 1.00 0.00 C ATOM 192 CG ARG A 12 4.492 3.310 10.301 1.00 0.00 C ATOM 193 CD ARG A 12 5.593 2.285 10.019 1.00 0.00 C ATOM 194 NE ARG A 12 6.679 2.393 11.018 1.00 0.00 N ATOM 195 CZ ARG A 12 7.863 3.037 10.843 1.00 0.00 C ATOM 196 NH1 ARG A 12 8.143 3.647 9.686 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.746 3.094 11.833 1.00 0.00 N ATOM 0 H ARG A 12 3.492 1.735 7.351 1.00 0.00 H new ATOM 0 HA ARG A 12 2.677 1.441 10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.768 3.554 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.677 4.164 9.518 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.943 4.301 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.070 3.106 11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.173 1.279 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.996 2.443 9.019 1.00 0.00 H new ATOM 0 HE ARG A 12 6.525 1.943 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.465 3.632 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.035 4.127 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.537 2.653 12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.633 3.578 11.698 1.00 0.00 H new ATOM 211 N TYR A 13 0.546 2.891 7.941 1.00 0.00 N ATOM 212 CA TYR A 13 -0.833 3.382 7.755 1.00 0.00 C ATOM 213 C TYR A 13 -1.875 2.250 7.814 1.00 0.00 C ATOM 214 O TYR A 13 -3.020 2.477 8.237 1.00 0.00 O ATOM 215 CB TYR A 13 -0.948 4.123 6.418 1.00 0.00 C ATOM 216 CG TYR A 13 -2.292 4.832 6.224 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.637 5.931 7.017 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.212 4.410 5.265 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.835 6.582 6.853 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.413 5.058 5.106 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.722 6.142 5.898 1.00 0.00 C ATOM 222 OH TYR A 13 -5.931 6.784 5.736 1.00 0.00 O ATOM 0 H TYR A 13 1.137 3.007 7.118 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.046 4.063 8.579 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.146 4.858 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.801 3.413 5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.947 6.275 7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.977 3.562 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.079 7.434 7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.115 4.717 4.360 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.995 7.135 4.823 1.00 0.00 H new ATOM 232 N ILE A 14 -1.487 1.041 7.377 1.00 0.00 N ATOM 233 CA ILE A 14 -2.363 -0.137 7.452 1.00 0.00 C ATOM 234 C ILE A 14 -2.666 -0.453 8.929 1.00 0.00 C ATOM 235 O ILE A 14 -3.767 -0.849 9.265 1.00 0.00 O ATOM 236 CB ILE A 14 -1.724 -1.387 6.760 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.366 -1.104 5.272 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.645 -2.634 6.858 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.280 -2.003 4.716 1.00 0.00 C ATOM 0 H ILE A 14 -0.571 0.855 6.968 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.286 0.094 6.920 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.801 -1.600 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.264 -1.219 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.048 -0.066 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.165 -3.480 6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.820 -2.876 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.597 -2.423 6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.089 -1.742 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.633 -1.872 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.602 -3.043 4.776 1.00 0.00 H new ATOM 251 N MET A 15 -1.678 -0.221 9.796 1.00 0.00 N ATOM 252 CA MET A 15 -1.791 -0.482 11.243 1.00 0.00 C ATOM 253 C MET A 15 -2.543 0.644 11.983 1.00 0.00 C ATOM 254 O MET A 15 -3.072 0.420 13.082 1.00 0.00 O ATOM 255 CB MET A 15 -0.373 -0.649 11.822 1.00 0.00 C ATOM 256 CG MET A 15 0.404 -1.812 11.204 1.00 0.00 C ATOM 257 SD MET A 15 2.133 -1.850 11.682 1.00 0.00 S ATOM 258 CE MET A 15 2.040 -1.614 13.453 1.00 0.00 C ATOM 0 H MET A 15 -0.771 0.155 9.519 1.00 0.00 H new ATOM 0 HA MET A 15 -2.372 -1.393 11.387 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.185 0.274 11.667 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.444 -0.801 12.899 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.067 -2.750 11.498 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.337 -1.748 10.118 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.995 -1.879 13.906 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.813 -0.570 13.670 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.255 -2.249 13.864 1.00 0.00 H new ATOM 268 N GLU A 16 -2.546 1.851 11.394 1.00 0.00 N ATOM 269 CA GLU A 16 -3.201 3.037 11.976 1.00 0.00 C ATOM 270 C GLU A 16 -4.700 3.073 11.623 1.00 0.00 C ATOM 271 O GLU A 16 -5.566 3.074 12.502 1.00 0.00 O ATOM 272 CB GLU A 16 -2.504 4.328 11.459 1.00 0.00 C ATOM 273 CG GLU A 16 -0.995 4.406 11.757 1.00 0.00 C ATOM 274 CD GLU A 16 -0.665 4.288 13.256 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.985 5.227 14.016 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.108 3.250 13.687 1.00 0.00 O ATOM 0 H GLU A 16 -2.093 2.034 10.498 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.109 2.981 13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.652 4.398 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.994 5.193 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.483 3.611 11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.605 5.351 11.379 1.00 0.00 H new ATOM 283 N ASP A 17 -4.969 3.122 10.318 1.00 0.00 N ATOM 284 CA ASP A 17 -6.311 3.339 9.755 1.00 0.00 C ATOM 285 C ASP A 17 -7.060 2.015 9.502 1.00 0.00 C ATOM 286 O ASP A 17 -8.187 1.828 9.979 1.00 0.00 O ATOM 287 CB ASP A 17 -6.172 4.135 8.437 1.00 0.00 C ATOM 288 CG ASP A 17 -7.520 4.487 7.778 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.046 3.677 6.987 1.00 0.00 O ATOM 290 OD2 ASP A 17 -8.053 5.580 8.049 1.00 0.00 O ATOM 0 H ASP A 17 -4.249 3.010 9.605 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.901 3.900 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.624 5.056 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.575 3.554 7.734 1.00 0.00 H new ATOM 295 N LEU A 18 -6.422 1.121 8.723 1.00 0.00 N ATOM 296 CA LEU A 18 -7.046 -0.119 8.209 1.00 0.00 C ATOM 297 C LEU A 18 -7.284 -1.133 9.349 1.00 0.00 C ATOM 298 O LEU A 18 -8.340 -1.774 9.420 1.00 0.00 O ATOM 299 CB LEU A 18 -6.161 -0.744 7.089 1.00 0.00 C ATOM 300 CG LEU A 18 -6.099 -0.001 5.702 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.593 1.459 5.787 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.258 -0.817 4.709 1.00 0.00 C ATOM 0 H LEU A 18 -5.452 1.237 8.429 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.016 0.137 7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.144 -0.824 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.515 -1.759 6.910 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.127 0.072 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.581 1.898 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.257 2.037 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.585 1.471 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.219 -0.297 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.247 -0.935 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.710 -1.799 4.571 1.00 0.00 H new ATOM 314 N ILE A 19 -6.287 -1.259 10.232 1.00 0.00 N ATOM 315 CA ILE A 19 -6.336 -2.149 11.409 1.00 0.00 C ATOM 316 C ILE A 19 -6.272 -1.275 12.679 1.00 0.00 C ATOM 317 O ILE A 19 -5.917 -0.087 12.602 1.00 0.00 O ATOM 318 CB ILE A 19 -5.128 -3.176 11.409 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.892 -3.793 9.997 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.342 -4.308 12.451 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.609 -4.608 9.887 1.00 0.00 C ATOM 0 H ILE A 19 -5.411 -0.742 10.153 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.261 -2.725 11.380 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.239 -2.610 11.688 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.739 -4.431 9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.865 -2.990 9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.495 -4.993 12.423 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.425 -3.874 13.448 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.256 -4.852 12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.515 -5.004 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.753 -3.970 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.640 -5.433 10.599 1.00 0.00 H new ATOM 333 N GLY A 20 -6.611 -1.848 13.837 1.00 0.00 N ATOM 334 CA GLY A 20 -6.511 -1.149 15.108 1.00 0.00 C ATOM 335 C GLY A 20 -5.694 -1.932 16.130 1.00 0.00 C ATOM 336 O GLY A 20 -4.462 -1.917 16.061 1.00 0.00 O ATOM 0 H GLY A 20 -6.960 -2.804 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.053 -0.173 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.511 -0.971 15.503 1.00 0.00 H new ATOM 340 N PRO A 21 -6.348 -2.664 17.080 1.00 0.00 N ATOM 341 CA PRO A 21 -5.638 -3.355 18.189 1.00 0.00 C ATOM 342 C PRO A 21 -5.014 -4.704 17.768 1.00 0.00 C ATOM 343 O PRO A 21 -4.261 -5.313 18.533 1.00 0.00 O ATOM 344 CB PRO A 21 -6.757 -3.529 19.236 1.00 0.00 C ATOM 345 CG PRO A 21 -8.025 -3.682 18.429 1.00 0.00 C ATOM 346 CD PRO A 21 -7.826 -2.879 17.148 1.00 0.00 C ATOM 0 HA PRO A 21 -4.778 -2.794 18.554 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.579 -4.403 19.862 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.813 -2.667 19.901 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.216 -4.731 18.203 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.886 -3.314 18.987 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.191 -3.422 16.276 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.366 -1.933 17.183 1.00 0.00 H new ATOM 354 N SER A 22 -5.311 -5.143 16.536 1.00 0.00 N ATOM 355 CA SER A 22 -4.752 -6.383 15.954 1.00 0.00 C ATOM 356 C SER A 22 -3.502 -6.049 15.114 1.00 0.00 C ATOM 357 O SER A 22 -3.154 -6.769 14.170 1.00 0.00 O ATOM 358 CB SER A 22 -5.847 -7.082 15.104 1.00 0.00 C ATOM 359 OG SER A 22 -5.456 -8.386 14.698 1.00 0.00 O ATOM 0 H SER A 22 -5.947 -4.650 15.909 1.00 0.00 H new ATOM 0 HA SER A 22 -4.443 -7.067 16.745 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.769 -7.144 15.681 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.062 -6.478 14.223 1.00 0.00 H new ATOM 0 HG SER A 22 -4.531 -8.365 14.376 1.00 0.00 H new ATOM 365 N ALA A 23 -2.805 -4.973 15.498 1.00 0.00 N ATOM 366 CA ALA A 23 -1.647 -4.465 14.769 1.00 0.00 C ATOM 367 C ALA A 23 -0.579 -4.015 15.767 1.00 0.00 C ATOM 368 O ALA A 23 -0.454 -2.825 16.090 1.00 0.00 O ATOM 369 CB ALA A 23 -2.053 -3.325 13.822 1.00 0.00 C ATOM 0 H ALA A 23 -3.034 -4.429 16.330 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.232 -5.260 14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.173 -2.963 13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.786 -3.692 13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.489 -2.510 14.400 1.00 0.00 H new ATOM 375 N LYS A 24 0.142 -5.006 16.302 1.00 0.00 N ATOM 376 CA LYS A 24 1.311 -4.796 17.165 1.00 0.00 C ATOM 377 C LYS A 24 2.415 -4.044 16.391 1.00 0.00 C ATOM 378 O LYS A 24 2.423 -4.107 15.162 1.00 0.00 O ATOM 379 CB LYS A 24 1.790 -6.172 17.672 1.00 0.00 C ATOM 380 CG LYS A 24 3.009 -6.145 18.598 1.00 0.00 C ATOM 381 CD LYS A 24 3.354 -7.549 19.122 1.00 0.00 C ATOM 382 CE LYS A 24 4.619 -7.558 19.985 1.00 0.00 C ATOM 383 NZ LYS A 24 4.942 -8.909 20.500 1.00 0.00 N ATOM 0 H LYS A 24 -0.073 -5.991 16.146 1.00 0.00 H new ATOM 0 HA LYS A 24 1.052 -4.177 18.024 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.966 -6.653 18.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.024 -6.796 16.810 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.865 -5.736 18.061 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.813 -5.480 19.439 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.517 -7.931 19.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.489 -8.225 18.278 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.459 -7.186 19.398 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.488 -6.874 20.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.806 -8.863 21.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.154 -9.256 21.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.094 -9.558 19.701 1.00 0.00 H new ATOM 397 N GLU A 25 3.343 -3.385 17.121 1.00 0.00 N ATOM 398 CA GLU A 25 4.358 -2.450 16.559 1.00 0.00 C ATOM 399 C GLU A 25 5.033 -2.946 15.259 1.00 0.00 C ATOM 400 O GLU A 25 5.354 -2.130 14.390 1.00 0.00 O ATOM 401 CB GLU A 25 5.450 -2.191 17.615 1.00 0.00 C ATOM 402 CG GLU A 25 4.923 -1.599 18.934 1.00 0.00 C ATOM 403 CD GLU A 25 6.022 -1.381 19.988 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.332 -2.329 20.737 1.00 0.00 O ATOM 405 OE2 GLU A 25 6.571 -0.260 20.086 1.00 0.00 O ATOM 0 H GLU A 25 3.413 -3.486 18.134 1.00 0.00 H new ATOM 0 HA GLU A 25 3.817 -1.540 16.300 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.962 -3.129 17.830 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.192 -1.512 17.195 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.435 -0.647 18.727 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.163 -2.264 19.344 1.00 0.00 H new ATOM 412 N ASP A 26 5.245 -4.274 15.146 1.00 0.00 N ATOM 413 CA ASP A 26 5.833 -4.906 13.939 1.00 0.00 C ATOM 414 C ASP A 26 5.137 -6.246 13.636 1.00 0.00 C ATOM 415 O ASP A 26 5.798 -7.260 13.367 1.00 0.00 O ATOM 416 CB ASP A 26 7.373 -5.099 14.102 1.00 0.00 C ATOM 417 CG ASP A 26 8.171 -3.783 14.028 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.558 -3.356 12.913 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.421 -3.166 15.086 1.00 0.00 O ATOM 0 H ASP A 26 5.015 -4.939 15.884 1.00 0.00 H new ATOM 0 HA ASP A 26 5.670 -4.239 13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.571 -5.581 15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.730 -5.775 13.325 1.00 0.00 H new ATOM 424 N GLU A 27 3.789 -6.247 13.694 1.00 0.00 N ATOM 425 CA GLU A 27 2.981 -7.374 13.202 1.00 0.00 C ATOM 426 C GLU A 27 3.081 -7.432 11.682 1.00 0.00 C ATOM 427 O GLU A 27 3.217 -8.507 11.098 1.00 0.00 O ATOM 428 CB GLU A 27 1.482 -7.268 13.648 1.00 0.00 C ATOM 429 CG GLU A 27 1.116 -8.171 14.833 1.00 0.00 C ATOM 430 CD GLU A 27 1.321 -9.674 14.553 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.433 -10.300 13.938 1.00 0.00 O ATOM 432 OE2 GLU A 27 2.361 -10.238 14.956 1.00 0.00 O ATOM 0 H GLU A 27 3.240 -5.478 14.078 1.00 0.00 H new ATOM 0 HA GLU A 27 3.375 -8.292 13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.265 -6.233 13.913 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.843 -7.521 12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.718 -7.886 15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.074 -7.999 15.101 1.00 0.00 H new ATOM 439 N LEU A 28 2.987 -6.253 11.055 1.00 0.00 N ATOM 440 CA LEU A 28 3.214 -6.105 9.621 1.00 0.00 C ATOM 441 C LEU A 28 4.722 -6.184 9.308 1.00 0.00 C ATOM 442 O LEU A 28 5.563 -5.617 10.016 1.00 0.00 O ATOM 443 CB LEU A 28 2.577 -4.797 9.070 1.00 0.00 C ATOM 444 CG LEU A 28 1.199 -4.958 8.346 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.120 -5.598 9.254 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.757 -3.612 7.798 1.00 0.00 C ATOM 0 H LEU A 28 2.752 -5.381 11.529 1.00 0.00 H new ATOM 0 HA LEU A 28 2.719 -6.931 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.450 -4.101 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.280 -4.339 8.374 1.00 0.00 H new ATOM 0 HG LEU A 28 1.328 -5.652 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.815 -5.686 8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.450 -6.588 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.035 -4.971 10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.203 -3.722 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.656 -2.901 8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.500 -3.246 7.089 1.00 0.00 H new ATOM 458 N ASP A 29 5.024 -6.885 8.231 1.00 0.00 N ATOM 459 CA ASP A 29 6.388 -7.193 7.778 1.00 0.00 C ATOM 460 C ASP A 29 6.519 -6.811 6.307 1.00 0.00 C ATOM 461 O ASP A 29 5.522 -6.518 5.628 1.00 0.00 O ATOM 462 CB ASP A 29 6.672 -8.707 8.024 1.00 0.00 C ATOM 463 CG ASP A 29 7.983 -9.250 7.424 1.00 0.00 C ATOM 464 OD1 ASP A 29 9.068 -8.862 7.900 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.937 -10.049 6.452 1.00 0.00 O ATOM 0 H ASP A 29 4.308 -7.274 7.618 1.00 0.00 H new ATOM 0 HA ASP A 29 7.128 -6.620 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.686 -8.885 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.842 -9.284 7.616 1.00 0.00 H new ATOM 470 N ASP A 30 7.760 -6.816 5.841 1.00 0.00 N ATOM 471 CA ASP A 30 8.142 -6.428 4.483 1.00 0.00 C ATOM 472 C ASP A 30 7.481 -7.324 3.424 1.00 0.00 C ATOM 473 O ASP A 30 7.156 -6.862 2.338 1.00 0.00 O ATOM 474 CB ASP A 30 9.684 -6.524 4.353 1.00 0.00 C ATOM 475 CG ASP A 30 10.258 -5.924 3.057 1.00 0.00 C ATOM 476 OD1 ASP A 30 10.446 -4.699 3.018 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.542 -6.673 2.089 1.00 0.00 O ATOM 0 H ASP A 30 8.556 -7.098 6.412 1.00 0.00 H new ATOM 0 HA ASP A 30 7.802 -5.407 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.139 -6.018 5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.976 -7.573 4.412 1.00 0.00 H new ATOM 482 N GLN A 31 7.301 -8.612 3.754 1.00 0.00 N ATOM 483 CA GLN A 31 6.771 -9.627 2.825 1.00 0.00 C ATOM 484 C GLN A 31 5.434 -10.186 3.340 1.00 0.00 C ATOM 485 O GLN A 31 4.971 -11.223 2.847 1.00 0.00 O ATOM 486 CB GLN A 31 7.824 -10.757 2.635 1.00 0.00 C ATOM 487 CG GLN A 31 9.150 -10.289 2.006 1.00 0.00 C ATOM 488 CD GLN A 31 10.183 -11.406 1.841 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.238 -12.076 0.807 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.001 -11.621 2.859 1.00 0.00 N ATOM 0 H GLN A 31 7.520 -8.983 4.679 1.00 0.00 H new ATOM 0 HA GLN A 31 6.579 -9.166 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.035 -11.208 3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.393 -11.537 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.944 -9.851 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.577 -9.500 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.929 -11.049 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.703 -12.359 2.802 1.00 0.00 H new ATOM 499 N THR A 32 4.834 -9.501 4.357 1.00 0.00 N ATOM 500 CA THR A 32 3.522 -9.867 4.909 1.00 0.00 C ATOM 501 C THR A 32 2.435 -9.944 3.795 1.00 0.00 C ATOM 502 O THR A 32 2.155 -8.941 3.126 1.00 0.00 O ATOM 503 CB THR A 32 3.075 -8.885 6.036 1.00 0.00 C ATOM 504 OG1 THR A 32 3.770 -9.186 7.250 1.00 0.00 O ATOM 505 CG2 THR A 32 1.568 -8.899 6.330 1.00 0.00 C ATOM 0 H THR A 32 5.254 -8.687 4.805 1.00 0.00 H new ATOM 0 HA THR A 32 3.631 -10.858 5.349 1.00 0.00 H new ATOM 0 HB THR A 32 3.320 -7.890 5.664 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.208 -8.948 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.346 -8.188 7.126 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.019 -8.620 5.430 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.268 -9.899 6.643 1.00 0.00 H new ATOM 513 N PRO A 33 1.829 -11.159 3.588 1.00 0.00 N ATOM 514 CA PRO A 33 0.720 -11.359 2.640 1.00 0.00 C ATOM 515 C PRO A 33 -0.564 -10.641 3.112 1.00 0.00 C ATOM 516 O PRO A 33 -1.369 -11.200 3.855 1.00 0.00 O ATOM 517 CB PRO A 33 0.543 -12.899 2.614 1.00 0.00 C ATOM 518 CG PRO A 33 1.098 -13.379 3.925 1.00 0.00 C ATOM 519 CD PRO A 33 2.212 -12.426 4.268 1.00 0.00 C ATOM 0 HA PRO A 33 0.923 -10.943 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.506 -13.173 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.077 -13.343 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.330 -13.379 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.468 -14.401 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.301 -12.289 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.175 -12.794 3.913 1.00 0.00 H new ATOM 527 N LEU A 34 -0.736 -9.396 2.657 1.00 0.00 N ATOM 528 CA LEU A 34 -1.802 -8.494 3.117 1.00 0.00 C ATOM 529 C LEU A 34 -3.219 -9.072 2.817 1.00 0.00 C ATOM 530 O LEU A 34 -4.166 -8.844 3.575 1.00 0.00 O ATOM 531 CB LEU A 34 -1.600 -7.100 2.460 1.00 0.00 C ATOM 532 CG LEU A 34 -0.191 -6.430 2.662 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.077 -5.098 1.900 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.151 -6.234 4.154 1.00 0.00 C ATOM 0 H LEU A 34 -0.132 -8.979 1.949 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.739 -8.392 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.782 -7.197 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.359 -6.424 2.853 1.00 0.00 H new ATOM 0 HG LEU A 34 0.541 -7.121 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.911 -4.668 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.222 -5.275 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.839 -4.407 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.132 -5.768 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.599 -5.593 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.161 -7.202 4.655 1.00 0.00 H new ATOM 546 N LEU A 35 -3.336 -9.855 1.724 1.00 0.00 N ATOM 547 CA LEU A 35 -4.612 -10.512 1.337 1.00 0.00 C ATOM 548 C LEU A 35 -4.906 -11.741 2.206 1.00 0.00 C ATOM 549 O LEU A 35 -6.073 -12.064 2.456 1.00 0.00 O ATOM 550 CB LEU A 35 -4.580 -10.947 -0.134 1.00 0.00 C ATOM 551 CG LEU A 35 -4.289 -9.833 -1.168 1.00 0.00 C ATOM 552 CD1 LEU A 35 -4.348 -10.399 -2.591 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.231 -8.616 -0.993 1.00 0.00 C ATOM 0 H LEU A 35 -2.562 -10.051 1.089 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.400 -9.775 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.824 -11.724 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.541 -11.400 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.278 -9.466 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.141 -9.604 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.604 -11.188 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.341 -10.808 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.990 -7.859 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.265 -8.935 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.101 -8.196 0.004 1.00 0.00 H new ATOM 565 N GLU A 36 -3.836 -12.427 2.635 1.00 0.00 N ATOM 566 CA GLU A 36 -3.923 -13.596 3.530 1.00 0.00 C ATOM 567 C GLU A 36 -4.458 -13.153 4.898 1.00 0.00 C ATOM 568 O GLU A 36 -5.243 -13.854 5.540 1.00 0.00 O ATOM 569 CB GLU A 36 -2.525 -14.236 3.670 1.00 0.00 C ATOM 570 CG GLU A 36 -2.470 -15.586 4.393 1.00 0.00 C ATOM 571 CD GLU A 36 -3.248 -16.689 3.658 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.690 -17.309 2.730 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.424 -16.934 4.001 1.00 0.00 O ATOM 0 H GLU A 36 -2.880 -12.187 2.371 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.606 -14.336 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.105 -14.364 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.879 -13.536 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.430 -15.893 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.875 -15.471 5.398 1.00 0.00 H new ATOM 580 N TRP A 37 -4.014 -11.955 5.311 1.00 0.00 N ATOM 581 CA TRP A 37 -4.527 -11.284 6.517 1.00 0.00 C ATOM 582 C TRP A 37 -5.958 -10.745 6.283 1.00 0.00 C ATOM 583 O TRP A 37 -6.721 -10.568 7.244 1.00 0.00 O ATOM 584 CB TRP A 37 -3.575 -10.125 6.921 1.00 0.00 C ATOM 585 CG TRP A 37 -2.220 -10.568 7.430 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.379 -11.485 6.863 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.543 -10.096 8.605 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.236 -11.610 7.599 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.315 -10.772 8.681 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.870 -9.165 9.600 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.598 -10.548 9.703 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.960 -8.944 10.621 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.255 -9.633 10.664 1.00 0.00 C ATOM 0 H TRP A 37 -3.293 -11.426 4.821 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.568 -12.012 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.429 -9.475 6.058 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.060 -9.527 7.692 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.590 -12.035 5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.547 -12.225 7.380 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.809 -8.632 9.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.541 -11.074 9.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.193 -8.228 11.395 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.941 -9.440 11.475 1.00 0.00 H new ATOM 604 N GLY A 38 -6.313 -10.509 5.002 1.00 0.00 N ATOM 605 CA GLY A 38 -7.656 -10.052 4.627 1.00 0.00 C ATOM 606 C GLY A 38 -7.917 -8.610 5.021 1.00 0.00 C ATOM 607 O GLY A 38 -9.064 -8.193 5.176 1.00 0.00 O ATOM 0 H GLY A 38 -5.680 -10.630 4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.784 -10.158 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.399 -10.694 5.101 1.00 0.00 H new ATOM 611 N ILE A 39 -6.833 -7.851 5.172 1.00 0.00 N ATOM 612 CA ILE A 39 -6.867 -6.462 5.654 1.00 0.00 C ATOM 613 C ILE A 39 -7.096 -5.481 4.491 1.00 0.00 C ATOM 614 O ILE A 39 -7.324 -4.290 4.726 1.00 0.00 O ATOM 615 CB ILE A 39 -5.552 -6.124 6.449 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.286 -6.315 5.549 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.476 -6.984 7.741 1.00 0.00 C ATOM 618 CD1 ILE A 39 -2.954 -6.221 6.274 1.00 0.00 C ATOM 0 H ILE A 39 -5.892 -8.183 4.962 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.708 -6.353 6.339 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.578 -5.075 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.349 -7.289 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.305 -5.564 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.563 -6.743 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.340 -6.772 8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.472 -8.041 7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.141 -6.367 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.860 -5.238 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.904 -6.990 7.045 1.00 0.00 H new ATOM 630 N LEU A 40 -6.993 -5.982 3.232 1.00 0.00 N ATOM 631 CA LEU A 40 -7.194 -5.167 2.014 1.00 0.00 C ATOM 632 C LEU A 40 -8.512 -5.535 1.308 1.00 0.00 C ATOM 633 O LEU A 40 -8.596 -6.524 0.564 1.00 0.00 O ATOM 634 CB LEU A 40 -5.997 -5.301 1.033 1.00 0.00 C ATOM 635 CG LEU A 40 -4.605 -4.860 1.579 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.553 -4.852 0.459 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.681 -3.491 2.289 1.00 0.00 C ATOM 0 H LEU A 40 -6.769 -6.958 3.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.254 -4.126 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.927 -6.342 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.217 -4.713 0.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.295 -5.593 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.591 -4.541 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.462 -5.853 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.859 -4.156 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.692 -3.216 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.030 -2.735 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.375 -3.554 3.127 1.00 0.00 H new ATOM 649 N ASN A 41 -9.544 -4.736 1.600 1.00 0.00 N ATOM 650 CA ASN A 41 -10.846 -4.767 0.916 1.00 0.00 C ATOM 651 C ASN A 41 -11.178 -3.346 0.418 1.00 0.00 C ATOM 652 O ASN A 41 -10.452 -2.386 0.733 1.00 0.00 O ATOM 653 CB ASN A 41 -11.949 -5.308 1.871 1.00 0.00 C ATOM 654 CG ASN A 41 -11.700 -6.749 2.339 1.00 0.00 C ATOM 655 OD1 ASN A 41 -11.083 -6.988 3.377 1.00 0.00 O ATOM 656 ND2 ASN A 41 -12.197 -7.717 1.585 1.00 0.00 N ATOM 0 H ASN A 41 -9.498 -4.032 2.336 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.802 -5.441 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.015 -4.657 2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.913 -5.260 1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.073 -8.692 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.704 -7.488 0.730 1.00 0.00 H new ATOM 663 N SER A 42 -12.273 -3.215 -0.343 1.00 0.00 N ATOM 664 CA SER A 42 -12.577 -2.004 -1.129 1.00 0.00 C ATOM 665 C SER A 42 -12.999 -0.794 -0.255 1.00 0.00 C ATOM 666 O SER A 42 -13.009 0.349 -0.747 1.00 0.00 O ATOM 667 CB SER A 42 -13.651 -2.304 -2.199 1.00 0.00 C ATOM 668 OG SER A 42 -13.418 -1.567 -3.395 1.00 0.00 O ATOM 0 H SER A 42 -12.978 -3.947 -0.433 1.00 0.00 H new ATOM 0 HA SER A 42 -11.648 -1.717 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.655 -3.371 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.637 -2.058 -1.805 1.00 0.00 H new ATOM 673 N MET A 43 -13.364 -1.030 1.018 1.00 0.00 N ATOM 674 CA MET A 43 -13.728 0.068 1.940 1.00 0.00 C ATOM 675 C MET A 43 -12.456 0.789 2.418 1.00 0.00 C ATOM 676 O MET A 43 -12.377 2.019 2.375 1.00 0.00 O ATOM 677 CB MET A 43 -14.566 -0.455 3.137 1.00 0.00 C ATOM 678 CG MET A 43 -15.894 -1.155 2.762 1.00 0.00 C ATOM 679 SD MET A 43 -17.152 -0.027 2.075 1.00 0.00 S ATOM 680 CE MET A 43 -16.757 0.068 0.319 1.00 0.00 C ATOM 0 H MET A 43 -13.415 -1.961 1.432 1.00 0.00 H new ATOM 0 HA MET A 43 -14.352 0.783 1.403 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.955 -1.154 3.708 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.791 0.384 3.796 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.687 -1.940 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.301 -1.641 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.571 1.106 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.867 -0.527 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.594 -0.318 -0.264 1.00 0.00 H new ATOM 690 N ASN A 44 -11.447 0.002 2.830 1.00 0.00 N ATOM 691 CA ASN A 44 -10.164 0.543 3.324 1.00 0.00 C ATOM 692 C ASN A 44 -9.197 0.893 2.170 1.00 0.00 C ATOM 693 O ASN A 44 -8.220 1.619 2.383 1.00 0.00 O ATOM 694 CB ASN A 44 -9.488 -0.434 4.321 1.00 0.00 C ATOM 695 CG ASN A 44 -9.065 -1.755 3.677 1.00 0.00 C ATOM 696 OD1 ASN A 44 -9.807 -2.725 3.703 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.886 -1.790 3.069 1.00 0.00 N ATOM 0 H ASN A 44 -11.494 -1.017 2.831 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.396 1.469 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.612 0.048 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.176 -0.641 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.576 -2.644 2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.289 -0.963 3.065 1.00 0.00 H new ATOM 704 N ILE A 45 -9.480 0.365 0.953 1.00 0.00 N ATOM 705 CA ILE A 45 -8.622 0.542 -0.246 1.00 0.00 C ATOM 706 C ILE A 45 -8.461 2.035 -0.598 1.00 0.00 C ATOM 707 O ILE A 45 -7.404 2.471 -1.055 1.00 0.00 O ATOM 708 CB ILE A 45 -9.222 -0.231 -1.500 1.00 0.00 C ATOM 709 CG1 ILE A 45 -8.095 -0.722 -2.449 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.273 0.607 -2.294 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.233 -1.838 -1.877 1.00 0.00 C ATOM 0 H ILE A 45 -10.312 -0.197 0.775 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.644 0.125 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.748 -1.096 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.545 -1.068 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.454 0.123 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.643 0.023 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.104 0.864 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.806 1.520 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.472 -2.120 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.750 -1.493 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.858 -2.702 -1.653 1.00 0.00 H new ATOM 723 N VAL A 46 -9.546 2.785 -0.356 1.00 0.00 N ATOM 724 CA VAL A 46 -9.665 4.192 -0.723 1.00 0.00 C ATOM 725 C VAL A 46 -8.699 5.041 0.112 1.00 0.00 C ATOM 726 O VAL A 46 -8.043 5.952 -0.410 1.00 0.00 O ATOM 727 CB VAL A 46 -11.145 4.682 -0.530 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.293 6.172 -0.921 1.00 0.00 C ATOM 729 CG2 VAL A 46 -12.131 3.773 -1.321 1.00 0.00 C ATOM 0 H VAL A 46 -10.377 2.418 0.109 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.401 4.305 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.400 4.602 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.327 6.485 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.640 6.779 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.016 6.303 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.151 4.129 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.884 3.806 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.049 2.748 -0.961 1.00 0.00 H new ATOM 739 N LYS A 47 -8.591 4.693 1.399 1.00 0.00 N ATOM 740 CA LYS A 47 -7.719 5.389 2.335 1.00 0.00 C ATOM 741 C LYS A 47 -6.233 5.133 2.020 1.00 0.00 C ATOM 742 O LYS A 47 -5.393 5.984 2.310 1.00 0.00 O ATOM 743 CB LYS A 47 -8.082 5.039 3.798 1.00 0.00 C ATOM 744 CG LYS A 47 -9.399 5.702 4.296 1.00 0.00 C ATOM 745 CD LYS A 47 -10.677 4.853 4.083 1.00 0.00 C ATOM 746 CE LYS A 47 -10.792 3.688 5.072 1.00 0.00 C ATOM 747 NZ LYS A 47 -12.149 3.082 5.063 1.00 0.00 N ATOM 0 H LYS A 47 -9.109 3.919 1.816 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.881 6.460 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.174 3.957 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.263 5.346 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.299 5.921 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.525 6.656 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.553 5.494 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.681 4.461 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.053 2.926 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.559 4.041 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.199 2.332 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.857 3.813 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.342 2.676 4.125 1.00 0.00 H new ATOM 761 N LEU A 48 -5.913 3.970 1.421 1.00 0.00 N ATOM 762 CA LEU A 48 -4.566 3.719 0.904 1.00 0.00 C ATOM 763 C LEU A 48 -4.280 4.630 -0.297 1.00 0.00 C ATOM 764 O LEU A 48 -3.246 5.296 -0.314 1.00 0.00 O ATOM 765 CB LEU A 48 -4.351 2.222 0.530 1.00 0.00 C ATOM 766 CG LEU A 48 -4.133 1.245 1.721 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.931 -0.201 1.219 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.953 1.696 2.618 1.00 0.00 C ATOM 0 H LEU A 48 -6.567 3.199 1.287 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.859 3.952 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.217 1.882 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.488 2.154 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.034 1.266 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.781 -0.864 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.812 -0.519 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.057 -0.242 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.830 0.990 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.038 1.728 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.160 2.688 3.020 1.00 0.00 H new ATOM 780 N MET A 49 -5.219 4.692 -1.271 1.00 0.00 N ATOM 781 CA MET A 49 -5.050 5.511 -2.497 1.00 0.00 C ATOM 782 C MET A 49 -4.685 6.967 -2.161 1.00 0.00 C ATOM 783 O MET A 49 -3.703 7.503 -2.679 1.00 0.00 O ATOM 784 CB MET A 49 -6.340 5.531 -3.344 1.00 0.00 C ATOM 785 CG MET A 49 -6.806 4.181 -3.876 1.00 0.00 C ATOM 786 SD MET A 49 -8.358 4.359 -4.778 1.00 0.00 S ATOM 787 CE MET A 49 -8.833 2.664 -5.041 1.00 0.00 C ATOM 0 H MET A 49 -6.103 4.184 -1.232 1.00 0.00 H new ATOM 0 HA MET A 49 -4.240 5.048 -3.061 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.141 5.959 -2.741 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.186 6.200 -4.190 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.044 3.759 -4.531 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.937 3.483 -3.049 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.684 2.403 -6.089 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.223 2.014 -4.414 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.884 2.536 -4.781 1.00 0.00 H new ATOM 797 N VAL A 50 -5.484 7.560 -1.264 1.00 0.00 N ATOM 798 CA VAL A 50 -5.338 8.972 -0.860 1.00 0.00 C ATOM 799 C VAL A 50 -4.039 9.185 -0.051 1.00 0.00 C ATOM 800 O VAL A 50 -3.400 10.232 -0.182 1.00 0.00 O ATOM 801 CB VAL A 50 -6.583 9.505 -0.041 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.895 9.357 -0.853 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.703 8.820 1.343 1.00 0.00 C ATOM 0 H VAL A 50 -6.251 7.078 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.284 9.551 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.416 10.567 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.732 9.732 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.817 9.929 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.060 8.306 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.571 9.216 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.820 7.745 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.803 9.017 1.926 1.00 0.00 H new ATOM 813 N TYR A 51 -3.652 8.172 0.755 1.00 0.00 N ATOM 814 CA TYR A 51 -2.441 8.226 1.585 1.00 0.00 C ATOM 815 C TYR A 51 -1.198 8.359 0.702 1.00 0.00 C ATOM 816 O TYR A 51 -0.407 9.290 0.835 1.00 0.00 O ATOM 817 CB TYR A 51 -2.323 6.958 2.458 1.00 0.00 C ATOM 818 CG TYR A 51 -1.065 6.937 3.338 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.954 7.791 4.443 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.015 6.088 3.057 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.177 7.795 5.233 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.142 6.091 3.846 1.00 0.00 C ATOM 823 CZ TYR A 51 1.221 6.946 4.934 1.00 0.00 C ATOM 824 OH TYR A 51 2.356 6.958 5.708 1.00 0.00 O ATOM 0 H TYR A 51 -4.172 7.299 0.844 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.514 9.097 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.204 6.882 3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.320 6.080 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.769 8.459 4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.039 5.422 2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.244 8.460 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.964 5.428 3.618 1.00 0.00 H new ATOM 0 HH TYR A 51 2.573 6.043 5.984 1.00 0.00 H new ATOM 834 N ILE A 52 -1.081 7.402 -0.214 1.00 0.00 N ATOM 835 CA ILE A 52 0.059 7.264 -1.129 1.00 0.00 C ATOM 836 C ILE A 52 0.073 8.426 -2.147 1.00 0.00 C ATOM 837 O ILE A 52 1.133 8.837 -2.620 1.00 0.00 O ATOM 838 CB ILE A 52 -0.049 5.860 -1.823 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.152 4.738 -0.732 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.130 5.586 -2.788 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.866 3.489 -1.189 1.00 0.00 C ATOM 0 H ILE A 52 -1.790 6.681 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 52 1.004 7.318 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.953 5.858 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.854 4.469 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.670 5.141 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.008 4.603 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.145 6.347 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.068 5.616 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.892 2.766 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.885 3.740 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.337 3.058 -2.039 1.00 0.00 H new ATOM 853 N ARG A 53 -1.128 8.958 -2.441 1.00 0.00 N ATOM 854 CA ARG A 53 -1.315 10.148 -3.292 1.00 0.00 C ATOM 855 C ARG A 53 -0.679 11.402 -2.654 1.00 0.00 C ATOM 856 O ARG A 53 -0.119 12.241 -3.360 1.00 0.00 O ATOM 857 CB ARG A 53 -2.823 10.406 -3.527 1.00 0.00 C ATOM 858 CG ARG A 53 -3.153 11.536 -4.533 1.00 0.00 C ATOM 859 CD ARG A 53 -4.586 12.064 -4.361 1.00 0.00 C ATOM 860 NE ARG A 53 -4.754 12.683 -3.025 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.896 12.782 -2.330 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.048 12.311 -2.805 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.864 13.351 -1.140 1.00 0.00 N ATOM 0 H ARG A 53 -2.004 8.570 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.821 9.953 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.282 9.482 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.287 10.647 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.447 12.356 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.024 11.165 -5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.806 12.796 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.298 11.247 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.917 13.073 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.076 11.861 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.902 12.400 -2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.983 13.704 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.720 13.438 -0.593 1.00 0.00 H new ATOM 877 N ASP A 54 -0.794 11.529 -1.320 1.00 0.00 N ATOM 878 CA ASP A 54 -0.281 12.705 -0.579 1.00 0.00 C ATOM 879 C ASP A 54 1.203 12.529 -0.208 1.00 0.00 C ATOM 880 O ASP A 54 1.980 13.499 -0.239 1.00 0.00 O ATOM 881 CB ASP A 54 -1.124 12.954 0.700 1.00 0.00 C ATOM 882 CG ASP A 54 -2.622 13.203 0.432 1.00 0.00 C ATOM 883 OD1 ASP A 54 -2.979 13.708 -0.657 1.00 0.00 O ATOM 884 OD2 ASP A 54 -3.453 12.921 1.321 1.00 0.00 O ATOM 0 H ASP A 54 -1.240 10.829 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.367 13.572 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.023 12.093 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.714 13.813 1.230 1.00 0.00 H new ATOM 889 N GLU A 55 1.580 11.292 0.144 1.00 0.00 N ATOM 890 CA GLU A 55 2.948 10.953 0.579 1.00 0.00 C ATOM 891 C GLU A 55 3.870 10.765 -0.642 1.00 0.00 C ATOM 892 O GLU A 55 4.782 11.557 -0.889 1.00 0.00 O ATOM 893 CB GLU A 55 2.915 9.647 1.417 1.00 0.00 C ATOM 894 CG GLU A 55 2.204 9.742 2.777 1.00 0.00 C ATOM 895 CD GLU A 55 3.068 10.427 3.843 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.954 9.748 4.410 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.886 11.635 4.098 1.00 0.00 O ATOM 0 H GLU A 55 0.945 10.494 0.136 1.00 0.00 H new ATOM 0 HA GLU A 55 3.338 11.769 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.427 8.871 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.941 9.321 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.272 10.295 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.940 8.740 3.116 1.00 0.00 H new ATOM 904 N MET A 56 3.592 9.700 -1.414 1.00 0.00 N ATOM 905 CA MET A 56 4.408 9.291 -2.579 1.00 0.00 C ATOM 906 C MET A 56 4.067 10.114 -3.839 1.00 0.00 C ATOM 907 O MET A 56 4.876 10.179 -4.770 1.00 0.00 O ATOM 908 CB MET A 56 4.227 7.767 -2.861 1.00 0.00 C ATOM 909 CG MET A 56 5.199 6.852 -2.107 1.00 0.00 C ATOM 910 SD MET A 56 5.196 7.063 -0.313 1.00 0.00 S ATOM 911 CE MET A 56 3.569 6.469 0.125 1.00 0.00 C ATOM 0 H MET A 56 2.790 9.092 -1.249 1.00 0.00 H new ATOM 0 HA MET A 56 5.451 9.487 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.207 7.483 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.343 7.594 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.954 5.815 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.208 7.031 -2.479 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.300 6.841 1.113 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.843 6.824 -0.607 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.570 5.379 0.136 1.00 0.00 H new ATOM 921 N GLY A 57 2.872 10.732 -3.860 1.00 0.00 N ATOM 922 CA GLY A 57 2.374 11.426 -5.054 1.00 0.00 C ATOM 923 C GLY A 57 1.842 10.453 -6.093 1.00 0.00 C ATOM 924 O GLY A 57 1.871 10.733 -7.297 1.00 0.00 O ATOM 0 H GLY A 57 2.236 10.763 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.584 12.120 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.177 12.020 -5.490 1.00 0.00 H new ATOM 928 N VAL A 58 1.344 9.304 -5.610 1.00 0.00 N ATOM 929 CA VAL A 58 0.903 8.176 -6.444 1.00 0.00 C ATOM 930 C VAL A 58 -0.539 7.798 -6.080 1.00 0.00 C ATOM 931 O VAL A 58 -0.807 7.333 -4.967 1.00 0.00 O ATOM 932 CB VAL A 58 1.846 6.932 -6.228 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.380 5.686 -7.026 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.312 7.292 -6.555 1.00 0.00 C ATOM 0 H VAL A 58 1.235 9.130 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 58 0.949 8.475 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 58 1.784 6.664 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.065 4.858 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.376 5.405 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.371 5.918 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.945 6.418 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.385 7.612 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.642 8.100 -5.903 1.00 0.00 H new ATOM 944 N SER A 59 -1.456 8.005 -7.023 1.00 0.00 N ATOM 945 CA SER A 59 -2.856 7.581 -6.888 1.00 0.00 C ATOM 946 C SER A 59 -3.023 6.230 -7.599 1.00 0.00 C ATOM 947 O SER A 59 -2.673 6.100 -8.779 1.00 0.00 O ATOM 948 CB SER A 59 -3.813 8.643 -7.487 1.00 0.00 C ATOM 949 OG SER A 59 -5.173 8.249 -7.357 1.00 0.00 O ATOM 0 H SER A 59 -1.253 8.473 -7.906 1.00 0.00 H new ATOM 0 HA SER A 59 -3.110 7.476 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.660 9.598 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.576 8.796 -8.540 1.00 0.00 H new ATOM 0 HG SER A 59 -5.752 8.940 -7.742 1.00 0.00 H new ATOM 955 N ILE A 60 -3.536 5.223 -6.873 1.00 0.00 N ATOM 956 CA ILE A 60 -3.794 3.896 -7.438 1.00 0.00 C ATOM 957 C ILE A 60 -5.201 3.918 -8.078 1.00 0.00 C ATOM 958 O ILE A 60 -6.186 4.177 -7.372 1.00 0.00 O ATOM 959 CB ILE A 60 -3.701 2.720 -6.378 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.304 2.663 -5.662 1.00 0.00 C ATOM 961 CG2 ILE A 60 -4.015 1.354 -7.047 1.00 0.00 C ATOM 962 CD1 ILE A 60 -2.052 3.747 -4.635 1.00 0.00 C ATOM 0 H ILE A 60 -3.780 5.308 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.017 3.691 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.449 2.927 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.205 1.694 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.524 2.718 -6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.946 0.560 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.023 1.375 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.297 1.166 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.060 3.615 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.111 4.724 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.803 3.684 -3.848 1.00 0.00 H new ATOM 974 N PRO A 61 -5.319 3.693 -9.421 1.00 0.00 N ATOM 975 CA PRO A 61 -6.637 3.624 -10.088 1.00 0.00 C ATOM 976 C PRO A 61 -7.413 2.341 -9.697 1.00 0.00 C ATOM 977 O PRO A 61 -6.808 1.329 -9.309 1.00 0.00 O ATOM 978 CB PRO A 61 -6.277 3.658 -11.598 1.00 0.00 C ATOM 979 CG PRO A 61 -4.881 3.105 -11.678 1.00 0.00 C ATOM 980 CD PRO A 61 -4.198 3.518 -10.388 1.00 0.00 C ATOM 0 HA PRO A 61 -7.303 4.437 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.973 3.058 -12.183 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.322 4.673 -11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.896 2.020 -11.783 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.352 3.502 -12.545 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.494 2.758 -10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.633 4.442 -10.514 1.00 0.00 H new ATOM 988 N SER A 62 -8.750 2.388 -9.823 1.00 0.00 N ATOM 989 CA SER A 62 -9.637 1.277 -9.443 1.00 0.00 C ATOM 990 C SER A 62 -9.423 0.059 -10.366 1.00 0.00 C ATOM 991 O SER A 62 -9.595 -1.089 -9.940 1.00 0.00 O ATOM 992 CB SER A 62 -11.114 1.724 -9.478 1.00 0.00 C ATOM 993 OG SER A 62 -11.348 2.810 -8.600 1.00 0.00 O ATOM 0 H SER A 62 -9.246 3.199 -10.192 1.00 0.00 H new ATOM 0 HA SER A 62 -9.387 0.981 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.384 2.011 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.755 0.887 -9.202 1.00 0.00 H new ATOM 0 HG SER A 62 -12.292 3.071 -8.646 1.00 0.00 H new ATOM 999 N THR A 63 -9.011 0.324 -11.623 1.00 0.00 N ATOM 1000 CA THR A 63 -8.688 -0.727 -12.603 1.00 0.00 C ATOM 1001 C THR A 63 -7.421 -1.523 -12.192 1.00 0.00 C ATOM 1002 O THR A 63 -7.189 -2.640 -12.676 1.00 0.00 O ATOM 1003 CB THR A 63 -8.495 -0.099 -14.028 1.00 0.00 C ATOM 1004 OG1 THR A 63 -8.316 -1.127 -15.009 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.303 0.878 -14.079 1.00 0.00 C ATOM 0 H THR A 63 -8.894 1.271 -11.984 1.00 0.00 H new ATOM 0 HA THR A 63 -9.525 -1.425 -12.629 1.00 0.00 H new ATOM 0 HB THR A 63 -9.400 0.467 -14.250 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.199 -0.719 -15.892 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.210 1.286 -15.085 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.468 1.690 -13.371 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.387 0.349 -13.816 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.615 -0.930 -11.301 1.00 0.00 N ATOM 1014 CA HIS A 64 -5.350 -1.516 -10.836 1.00 0.00 C ATOM 1015 C HIS A 64 -5.567 -2.416 -9.597 1.00 0.00 C ATOM 1016 O HIS A 64 -4.668 -3.189 -9.228 1.00 0.00 O ATOM 1017 CB HIS A 64 -4.355 -0.374 -10.496 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.932 -0.824 -10.367 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.107 -0.971 -11.460 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -2.200 -1.198 -9.298 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -0.950 -1.423 -11.072 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.981 -1.568 -9.764 1.00 0.00 N ATOM 0 H HIS A 64 -6.823 -0.025 -10.880 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.943 -2.140 -11.631 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.415 0.389 -11.272 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.663 0.096 -9.562 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.363 -0.759 -12.424 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.523 -1.202 -8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.109 -1.642 -11.713 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.754 -2.296 -8.953 1.00 0.00 N ATOM 1032 CA ILE A 65 -7.074 -3.018 -7.702 1.00 0.00 C ATOM 1033 C ILE A 65 -7.215 -4.521 -7.998 1.00 0.00 C ATOM 1034 O ILE A 65 -8.299 -5.017 -8.321 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.377 -2.467 -7.001 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -8.319 -0.911 -6.856 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.603 -3.143 -5.618 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -7.138 -0.371 -6.084 1.00 0.00 C ATOM 0 H ILE A 65 -7.511 -1.699 -9.286 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.252 -2.854 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.226 -2.717 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.310 -0.471 -7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -9.234 -0.575 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.508 -2.742 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.710 -4.219 -5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.749 -2.941 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.196 0.717 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.151 -0.773 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.213 -0.667 -6.580 1.00 0.00 H new ATOM 1050 N THR A 66 -6.078 -5.223 -7.929 1.00 0.00 N ATOM 1051 CA THR A 66 -5.986 -6.655 -8.217 1.00 0.00 C ATOM 1052 C THR A 66 -5.229 -7.349 -7.089 1.00 0.00 C ATOM 1053 O THR A 66 -4.413 -6.718 -6.398 1.00 0.00 O ATOM 1054 CB THR A 66 -5.253 -6.940 -9.579 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.924 -6.424 -9.513 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.970 -6.307 -10.782 1.00 0.00 C ATOM 0 H THR A 66 -5.185 -4.805 -7.668 1.00 0.00 H new ATOM 0 HA THR A 66 -7.002 -7.042 -8.296 1.00 0.00 H new ATOM 0 HB THR A 66 -5.251 -8.020 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.681 -6.035 -10.379 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.420 -6.536 -11.695 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.980 -6.709 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.019 -5.226 -10.649 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.455 -8.664 -6.950 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.804 -9.451 -5.909 1.00 0.00 C ATOM 1066 C GLY A 67 -3.317 -9.703 -6.165 1.00 0.00 C ATOM 1067 O GLY A 67 -2.611 -10.215 -5.298 1.00 0.00 O ATOM 0 H GLY A 67 -6.085 -9.199 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.917 -8.938 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.315 -10.409 -5.818 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.843 -9.330 -7.361 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.440 -9.509 -7.765 1.00 0.00 C ATOM 1073 C LYS A 68 -0.554 -8.383 -7.190 1.00 0.00 C ATOM 1074 O LYS A 68 0.573 -8.631 -6.748 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.345 -9.536 -9.315 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.289 -10.572 -9.977 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.206 -10.575 -11.520 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.580 -9.215 -12.140 1.00 0.00 C ATOM 1079 NZ LYS A 68 -2.442 -9.223 -13.613 1.00 0.00 N ATOM 0 H LYS A 68 -3.422 -8.894 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.078 -10.457 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.579 -8.544 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.317 -9.757 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.044 -11.567 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.315 -10.363 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.194 -10.842 -11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.871 -11.344 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.607 -8.964 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.943 -8.437 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.703 -8.290 -13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.457 -9.437 -13.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.069 -9.948 -14.017 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.087 -7.147 -7.212 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.365 -5.934 -6.758 1.00 0.00 C ATOM 1095 C TYR A 69 -0.631 -5.635 -5.277 1.00 0.00 C ATOM 1096 O TYR A 69 0.139 -4.926 -4.643 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.773 -4.721 -7.626 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.438 -4.894 -9.112 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.878 -5.090 -9.535 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.433 -4.863 -10.090 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.181 -5.248 -10.873 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.136 -5.020 -11.421 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.166 -5.212 -11.811 1.00 0.00 C ATOM 1104 OH TYR A 69 0.450 -5.359 -13.148 1.00 0.00 O ATOM 0 H TYR A 69 -2.032 -6.956 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 69 0.703 -6.120 -6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.845 -4.552 -7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.271 -3.829 -7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.672 -5.119 -8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.460 -4.712 -9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.204 -5.399 -11.185 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.924 -4.993 -12.159 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.380 -5.309 -13.666 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.739 -6.157 -4.738 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.121 -5.943 -3.323 1.00 0.00 C ATOM 1116 C PHE A 70 -1.828 -7.189 -2.471 1.00 0.00 C ATOM 1117 O PHE A 70 -2.268 -7.287 -1.325 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.608 -5.502 -3.258 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.797 -4.057 -3.722 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.970 -3.745 -5.072 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.747 -3.006 -2.805 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -4.079 -2.430 -5.484 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.864 -1.696 -3.218 1.00 0.00 C ATOM 1124 CZ PHE A 70 -4.029 -1.406 -4.555 1.00 0.00 C ATOM 0 H PHE A 70 -2.397 -6.737 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.515 -5.145 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.210 -6.164 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.973 -5.605 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.019 -4.539 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.615 -3.222 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.203 -2.202 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.826 -0.896 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.119 -0.379 -4.878 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.003 -8.086 -3.031 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.673 -9.388 -2.442 1.00 0.00 C ATOM 1136 C LYS A 71 0.121 -9.240 -1.134 1.00 0.00 C ATOM 1137 O LYS A 71 -0.273 -9.783 -0.097 1.00 0.00 O ATOM 1138 CB LYS A 71 0.121 -10.206 -3.480 1.00 0.00 C ATOM 1139 CG LYS A 71 0.519 -11.622 -3.025 1.00 0.00 C ATOM 1140 CD LYS A 71 1.133 -12.455 -4.169 1.00 0.00 C ATOM 1141 CE LYS A 71 0.141 -12.688 -5.322 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.706 -13.555 -6.379 1.00 0.00 N ATOM 0 H LYS A 71 -0.538 -7.921 -3.924 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.596 -9.907 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.474 -10.287 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.026 -9.656 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.235 -11.550 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.360 -12.136 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.018 -11.946 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.463 -13.417 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.769 -13.142 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.143 -11.729 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.003 -13.684 -7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.560 -13.111 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.953 -14.480 -5.974 1.00 0.00 H new ATOM 1156 N ASP A 72 1.223 -8.481 -1.205 1.00 0.00 N ATOM 1157 CA ASP A 72 2.110 -8.218 -0.066 1.00 0.00 C ATOM 1158 C ASP A 72 2.723 -6.822 -0.213 1.00 0.00 C ATOM 1159 O ASP A 72 2.569 -6.189 -1.258 1.00 0.00 O ATOM 1160 CB ASP A 72 3.222 -9.312 0.044 1.00 0.00 C ATOM 1161 CG ASP A 72 4.337 -9.202 -1.014 1.00 0.00 C ATOM 1162 OD1 ASP A 72 4.069 -9.466 -2.207 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.481 -8.823 -0.657 1.00 0.00 O ATOM 0 H ASP A 72 1.526 -8.027 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 72 1.528 -8.255 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.673 -9.255 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.756 -10.294 -0.039 1.00 0.00 H new ATOM 1168 N LEU A 73 3.460 -6.388 0.821 1.00 0.00 N ATOM 1169 CA LEU A 73 4.010 -5.020 0.920 1.00 0.00 C ATOM 1170 C LEU A 73 4.999 -4.704 -0.236 1.00 0.00 C ATOM 1171 O LEU A 73 5.078 -3.553 -0.690 1.00 0.00 O ATOM 1172 CB LEU A 73 4.705 -4.847 2.299 1.00 0.00 C ATOM 1173 CG LEU A 73 5.052 -3.392 2.722 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.785 -2.514 2.832 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.887 -3.363 4.027 1.00 0.00 C ATOM 0 H LEU A 73 3.695 -6.978 1.619 1.00 0.00 H new ATOM 0 HA LEU A 73 3.186 -4.312 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.060 -5.280 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.626 -5.430 2.292 1.00 0.00 H new ATOM 0 HG LEU A 73 5.671 -2.963 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.067 -1.504 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.281 -2.480 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.112 -2.938 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.111 -2.330 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.320 -3.830 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.818 -3.909 3.875 1.00 0.00 H new ATOM 1187 N ASN A 74 5.745 -5.726 -0.712 1.00 0.00 N ATOM 1188 CA ASN A 74 6.660 -5.561 -1.867 1.00 0.00 C ATOM 1189 C ASN A 74 5.874 -5.385 -3.173 1.00 0.00 C ATOM 1190 O ASN A 74 6.239 -4.555 -4.011 1.00 0.00 O ATOM 1191 CB ASN A 74 7.635 -6.750 -2.011 1.00 0.00 C ATOM 1192 CG ASN A 74 8.677 -6.823 -0.896 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.709 -6.155 -0.953 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.438 -7.661 0.093 1.00 0.00 N ATOM 0 H ASN A 74 5.733 -6.667 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 74 7.244 -4.662 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.064 -7.678 -2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.146 -6.676 -2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.120 -7.772 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.571 -8.199 0.108 1.00 0.00 H new ATOM 1201 N ALA A 75 4.803 -6.182 -3.336 1.00 0.00 N ATOM 1202 CA ALA A 75 3.919 -6.115 -4.516 1.00 0.00 C ATOM 1203 C ALA A 75 3.204 -4.752 -4.598 1.00 0.00 C ATOM 1204 O ALA A 75 2.908 -4.255 -5.695 1.00 0.00 O ATOM 1205 CB ALA A 75 2.911 -7.261 -4.470 1.00 0.00 C ATOM 0 H ALA A 75 4.525 -6.890 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 75 4.527 -6.217 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.260 -7.208 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.442 -8.213 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.310 -7.181 -3.564 1.00 0.00 H new ATOM 1211 N ILE A 76 2.930 -4.171 -3.417 1.00 0.00 N ATOM 1212 CA ILE A 76 2.394 -2.811 -3.283 1.00 0.00 C ATOM 1213 C ILE A 76 3.402 -1.786 -3.847 1.00 0.00 C ATOM 1214 O ILE A 76 3.092 -1.035 -4.770 1.00 0.00 O ATOM 1215 CB ILE A 76 2.098 -2.483 -1.767 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.996 -3.418 -1.175 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.722 -0.998 -1.555 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.401 -3.189 -1.709 1.00 0.00 C ATOM 0 H ILE A 76 3.077 -4.639 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 76 1.463 -2.749 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 76 3.026 -2.670 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.277 -4.453 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.979 -3.292 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.527 -0.819 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.545 -0.364 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.829 -0.763 -2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.091 -3.888 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.712 -2.168 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.409 -3.347 -2.788 1.00 0.00 H new ATOM 1230 N SER A 77 4.629 -1.823 -3.306 1.00 0.00 N ATOM 1231 CA SER A 77 5.654 -0.787 -3.535 1.00 0.00 C ATOM 1232 C SER A 77 6.213 -0.821 -4.960 1.00 0.00 C ATOM 1233 O SER A 77 6.556 0.233 -5.509 1.00 0.00 O ATOM 1234 CB SER A 77 6.801 -0.956 -2.532 1.00 0.00 C ATOM 1235 OG SER A 77 7.350 -2.261 -2.589 1.00 0.00 O ATOM 0 H SER A 77 4.942 -2.576 -2.693 1.00 0.00 H new ATOM 0 HA SER A 77 5.170 0.179 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.580 -0.223 -2.741 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.437 -0.756 -1.524 1.00 0.00 H new ATOM 0 HG SER A 77 6.856 -2.795 -3.245 1.00 0.00 H new ATOM 1241 N ARG A 78 6.304 -2.041 -5.542 1.00 0.00 N ATOM 1242 CA ARG A 78 6.843 -2.236 -6.896 1.00 0.00 C ATOM 1243 C ARG A 78 5.948 -1.534 -7.929 1.00 0.00 C ATOM 1244 O ARG A 78 6.436 -0.958 -8.909 1.00 0.00 O ATOM 1245 CB ARG A 78 6.988 -3.751 -7.236 1.00 0.00 C ATOM 1246 CG ARG A 78 5.662 -4.514 -7.430 1.00 0.00 C ATOM 1247 CD ARG A 78 5.867 -5.978 -7.848 1.00 0.00 C ATOM 1248 NE ARG A 78 6.558 -6.089 -9.147 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.828 -7.230 -9.800 1.00 0.00 C ATOM 1250 NH1 ARG A 78 6.472 -8.415 -9.314 1.00 0.00 N ATOM 1251 NH2 ARG A 78 7.478 -7.173 -10.953 1.00 0.00 N ATOM 0 H ARG A 78 6.008 -2.904 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 78 7.838 -1.792 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.580 -3.847 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.552 -4.233 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.093 -4.484 -6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.064 -4.006 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.446 -6.496 -7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.900 -6.477 -7.908 1.00 0.00 H new ATOM 0 HE ARG A 78 6.858 -5.220 -9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.980 -8.474 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.691 -9.266 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.766 -6.271 -11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.691 -8.031 -11.461 1.00 0.00 H new ATOM 1265 N THR A 79 4.629 -1.561 -7.665 1.00 0.00 N ATOM 1266 CA THR A 79 3.638 -0.988 -8.555 1.00 0.00 C ATOM 1267 C THR A 79 3.457 0.508 -8.257 1.00 0.00 C ATOM 1268 O THR A 79 3.055 1.267 -9.139 1.00 0.00 O ATOM 1269 CB THR A 79 2.286 -1.770 -8.475 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.656 -1.716 -9.751 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.318 -1.224 -7.399 1.00 0.00 C ATOM 0 H THR A 79 4.234 -1.984 -6.825 1.00 0.00 H new ATOM 0 HA THR A 79 3.995 -1.082 -9.581 1.00 0.00 H new ATOM 0 HB THR A 79 2.520 -2.794 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.790 -2.173 -9.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.402 -1.814 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.790 -1.289 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.079 -0.183 -7.619 1.00 0.00 H new ATOM 1279 N VAL A 80 3.737 0.919 -6.995 1.00 0.00 N ATOM 1280 CA VAL A 80 3.791 2.343 -6.630 1.00 0.00 C ATOM 1281 C VAL A 80 4.921 3.022 -7.427 1.00 0.00 C ATOM 1282 O VAL A 80 4.731 4.125 -7.915 1.00 0.00 O ATOM 1283 CB VAL A 80 3.986 2.578 -5.081 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.297 4.067 -4.759 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.746 2.097 -4.285 1.00 0.00 C ATOM 0 H VAL A 80 3.927 0.282 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 80 2.828 2.787 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 80 4.847 1.985 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.424 4.188 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.213 4.366 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.472 4.693 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.907 2.270 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.866 2.650 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.592 1.032 -4.460 1.00 0.00 H new ATOM 1295 N GLU A 81 6.070 2.319 -7.564 1.00 0.00 N ATOM 1296 CA GLU A 81 7.225 2.780 -8.368 1.00 0.00 C ATOM 1297 C GLU A 81 6.864 2.934 -9.848 1.00 0.00 C ATOM 1298 O GLU A 81 7.298 3.898 -10.499 1.00 0.00 O ATOM 1299 CB GLU A 81 8.412 1.790 -8.212 1.00 0.00 C ATOM 1300 CG GLU A 81 9.128 1.867 -6.853 1.00 0.00 C ATOM 1301 CD GLU A 81 9.921 3.178 -6.674 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.320 4.218 -6.322 1.00 0.00 O ATOM 1303 OE2 GLU A 81 11.158 3.179 -6.898 1.00 0.00 O ATOM 0 H GLU A 81 6.222 1.414 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 81 7.516 3.761 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.044 0.774 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.137 1.983 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.392 1.780 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.807 1.020 -6.756 1.00 0.00 H new ATOM 1310 N GLN A 82 6.088 1.969 -10.371 1.00 0.00 N ATOM 1311 CA GLN A 82 5.606 1.999 -11.767 1.00 0.00 C ATOM 1312 C GLN A 82 4.720 3.233 -11.992 1.00 0.00 C ATOM 1313 O GLN A 82 4.998 4.060 -12.861 1.00 0.00 O ATOM 1314 CB GLN A 82 4.834 0.698 -12.120 1.00 0.00 C ATOM 1315 CG GLN A 82 4.302 0.633 -13.573 1.00 0.00 C ATOM 1316 CD GLN A 82 5.395 0.762 -14.654 1.00 0.00 C ATOM 1317 OE1 GLN A 82 6.540 0.327 -14.471 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.046 1.383 -15.779 1.00 0.00 N ATOM 0 H GLN A 82 5.778 1.152 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 82 6.471 2.062 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.491 -0.155 -11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.993 0.594 -11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.778 -0.312 -13.714 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.570 1.428 -13.716 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.094 1.729 -15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.731 1.513 -16.523 1.00 0.00 H new ATOM 1327 N LEU A 83 3.698 3.355 -11.142 1.00 0.00 N ATOM 1328 CA LEU A 83 2.716 4.455 -11.167 1.00 0.00 C ATOM 1329 C LEU A 83 3.377 5.818 -10.848 1.00 0.00 C ATOM 1330 O LEU A 83 2.892 6.857 -11.293 1.00 0.00 O ATOM 1331 CB LEU A 83 1.568 4.124 -10.161 1.00 0.00 C ATOM 1332 CG LEU A 83 0.362 3.259 -10.685 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.806 1.983 -11.435 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.596 2.911 -9.519 1.00 0.00 C ATOM 0 H LEU A 83 3.521 2.680 -10.398 1.00 0.00 H new ATOM 0 HA LEU A 83 2.302 4.545 -12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.008 3.605 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.167 5.066 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.168 3.869 -11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.074 1.433 -11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.411 2.260 -12.299 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.395 1.354 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.425 2.313 -9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.055 2.345 -8.760 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.982 3.830 -9.079 1.00 0.00 H new ATOM 1346 N LYS A 84 4.490 5.781 -10.094 1.00 0.00 N ATOM 1347 CA LYS A 84 5.271 6.979 -9.717 1.00 0.00 C ATOM 1348 C LYS A 84 5.998 7.523 -10.949 1.00 0.00 C ATOM 1349 O LYS A 84 6.040 8.740 -11.175 1.00 0.00 O ATOM 1350 CB LYS A 84 6.291 6.608 -8.604 1.00 0.00 C ATOM 1351 CG LYS A 84 7.021 7.783 -7.916 1.00 0.00 C ATOM 1352 CD LYS A 84 7.891 7.317 -6.714 1.00 0.00 C ATOM 1353 CE LYS A 84 7.065 6.653 -5.586 1.00 0.00 C ATOM 1354 NZ LYS A 84 7.924 6.060 -4.535 1.00 0.00 N ATOM 0 H LYS A 84 4.878 4.913 -9.725 1.00 0.00 H new ATOM 0 HA LYS A 84 4.601 7.749 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.767 6.037 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.042 5.947 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.654 8.291 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.287 8.511 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.642 6.612 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.426 8.175 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.405 7.395 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.429 5.877 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.328 5.687 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.487 5.287 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.561 6.789 -4.155 1.00 0.00 H new ATOM 1368 N ALA A 85 6.547 6.579 -11.739 1.00 0.00 N ATOM 1369 CA ALA A 85 7.244 6.867 -12.999 1.00 0.00 C ATOM 1370 C ALA A 85 6.254 7.437 -14.028 1.00 0.00 C ATOM 1371 O ALA A 85 6.550 8.423 -14.703 1.00 0.00 O ATOM 1372 CB ALA A 85 7.900 5.584 -13.532 1.00 0.00 C ATOM 0 H ALA A 85 6.516 5.585 -11.513 1.00 0.00 H new ATOM 0 HA ALA A 85 8.022 7.610 -12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.416 5.801 -14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.616 5.210 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.133 4.829 -13.707 1.00 0.00 H new ATOM 1378 N GLU A 86 5.062 6.805 -14.098 1.00 0.00 N ATOM 1379 CA GLU A 86 3.965 7.218 -15.001 1.00 0.00 C ATOM 1380 C GLU A 86 3.509 8.654 -14.684 1.00 0.00 C ATOM 1381 O GLU A 86 3.391 9.489 -15.590 1.00 0.00 O ATOM 1382 CB GLU A 86 2.765 6.231 -14.881 1.00 0.00 C ATOM 1383 CG GLU A 86 3.099 4.773 -15.268 1.00 0.00 C ATOM 1384 CD GLU A 86 3.413 4.591 -16.761 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.476 4.662 -17.586 1.00 0.00 O ATOM 1386 OE2 GLU A 86 4.592 4.386 -17.121 1.00 0.00 O ATOM 0 H GLU A 86 4.833 5.991 -13.528 1.00 0.00 H new ATOM 0 HA GLU A 86 4.337 7.195 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.398 6.247 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.953 6.586 -15.516 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.954 4.437 -14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.258 4.133 -15.001 1.00 0.00 H new ATOM 1393 N SER A 87 3.289 8.925 -13.384 1.00 0.00 N ATOM 1394 CA SER A 87 2.822 10.236 -12.893 1.00 0.00 C ATOM 1395 C SER A 87 3.867 11.340 -13.158 1.00 0.00 C ATOM 1396 O SER A 87 3.505 12.457 -13.548 1.00 0.00 O ATOM 1397 CB SER A 87 2.484 10.154 -11.382 1.00 0.00 C ATOM 1398 OG SER A 87 1.410 9.254 -11.139 1.00 0.00 O ATOM 0 H SER A 87 3.430 8.239 -12.642 1.00 0.00 H new ATOM 0 HA SER A 87 1.917 10.499 -13.441 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.365 9.830 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.221 11.145 -11.012 1.00 0.00 H new ATOM 0 HG SER A 87 1.747 8.334 -11.141 1.00 0.00 H new ATOM 1404 N ALA A 88 5.160 11.002 -12.970 1.00 0.00 N ATOM 1405 CA ALA A 88 6.271 11.956 -13.141 1.00 0.00 C ATOM 1406 C ALA A 88 6.451 12.321 -14.623 1.00 0.00 C ATOM 1407 O ALA A 88 6.555 13.502 -14.979 1.00 0.00 O ATOM 1408 CB ALA A 88 7.566 11.361 -12.565 1.00 0.00 C ATOM 0 H ALA A 88 5.460 10.066 -12.697 1.00 0.00 H new ATOM 0 HA ALA A 88 6.034 12.871 -12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.382 12.072 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.431 11.154 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.805 10.435 -13.088 1.00 0.00 H new ATOM 1414 N LEU A 89 6.454 11.287 -15.483 1.00 0.00 N ATOM 1415 CA LEU A 89 6.678 11.442 -16.936 1.00 0.00 C ATOM 1416 C LEU A 89 5.421 11.965 -17.675 1.00 0.00 C ATOM 1417 O LEU A 89 5.470 12.176 -18.890 1.00 0.00 O ATOM 1418 CB LEU A 89 7.157 10.091 -17.544 1.00 0.00 C ATOM 1419 CG LEU A 89 8.503 9.532 -16.978 1.00 0.00 C ATOM 1420 CD1 LEU A 89 8.855 8.162 -17.591 1.00 0.00 C ATOM 1421 CD2 LEU A 89 9.662 10.545 -17.153 1.00 0.00 C ATOM 0 H LEU A 89 6.302 10.321 -15.193 1.00 0.00 H new ATOM 0 HA LEU A 89 7.455 12.194 -17.073 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.379 9.345 -17.383 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.261 10.215 -18.622 1.00 0.00 H new ATOM 0 HG LEU A 89 8.361 9.381 -15.908 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.797 7.807 -17.172 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.064 7.447 -17.363 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.953 8.261 -18.672 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.581 10.121 -16.748 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.799 10.762 -18.212 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.423 11.467 -16.622 1.00 0.00 H new ATOM 1433 N GLU A 90 4.303 12.163 -16.948 1.00 0.00 N ATOM 1434 CA GLU A 90 3.072 12.738 -17.518 1.00 0.00 C ATOM 1435 C GLU A 90 3.144 14.280 -17.428 1.00 0.00 C ATOM 1436 CB GLU A 90 1.825 12.191 -16.778 1.00 0.00 C ATOM 1437 CG GLU A 90 0.486 12.608 -17.419 1.00 0.00 C ATOM 1438 CD GLU A 90 -0.738 12.104 -16.634 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -1.000 10.880 -16.658 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.434 12.922 -15.985 1.00 0.00 O ATOM 0 H GLU A 90 4.230 11.930 -15.958 1.00 0.00 H new ATOM 0 HA GLU A 90 2.984 12.450 -18.565 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.880 11.103 -16.749 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.846 12.538 -15.745 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.445 13.695 -17.487 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.441 12.223 -18.438 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.465 -1.646 -4.590 1.00 22.13 P HETATM 1449 O25 PNS A 101 -15.808 -1.400 -4.011 1.00 71.05 O HETATM 1450 O26 PNS A 101 -14.049 -0.733 -5.681 1.00 32.44 O HETATM 1451 O27 PNS A 101 -14.352 -3.162 -5.061 1.00 14.23 O HETATM 1452 C28 PNS A 101 -13.303 -3.625 -5.901 1.00 35.44 C HETATM 1453 C29 PNS A 101 -13.415 -5.145 -6.030 1.00 52.32 C HETATM 1454 C30 PNS A 101 -14.801 -5.499 -6.581 1.00 31.14 C HETATM 1455 C31 PNS A 101 -13.263 -5.758 -4.627 1.00 73.41 C HETATM 1456 C32 PNS A 101 -12.330 -5.674 -6.978 1.00 43.34 C HETATM 1457 O33 PNS A 101 -11.016 -5.305 -6.491 1.00 23.20 O HETATM 1458 C34 PNS A 101 -12.393 -7.224 -7.106 1.00 4.24 C HETATM 1459 O35 PNS A 101 -13.037 -7.795 -7.988 1.00 42.13 O HETATM 1460 N36 PNS A 101 -11.695 -7.855 -6.187 1.00 4.32 N HETATM 1461 C37 PNS A 101 -11.521 -9.303 -5.982 1.00 23.44 C HETATM 1462 C38 PNS A 101 -11.913 -9.670 -4.529 1.00 53.53 C HETATM 1463 C39 PNS A 101 -11.139 -8.884 -3.430 1.00 53.21 C HETATM 1464 O40 PNS A 101 -11.403 -9.068 -2.236 1.00 63.25 O HETATM 1465 N41 PNS A 101 -10.187 -8.012 -3.841 1.00 54.13 N HETATM 1466 C42 PNS A 101 -9.382 -7.155 -2.976 1.00 23.44 C HETATM 1467 C43 PNS A 101 -7.944 -7.073 -3.492 1.00 2.05 C HETATM 1468 S44 PNS A 101 -7.254 -8.735 -3.601 1.00 42.31 S HETATM 0 H432 PNS A 101 -7.923 -6.593 -4.471 1.00 2.05 H new HETATM 0 H431 PNS A 101 -7.340 -6.459 -2.824 1.00 2.05 H new HETATM 0 H422 PNS A 101 -9.388 -7.547 -1.959 1.00 23.44 H new HETATM 0 H421 PNS A 101 -9.818 -6.157 -2.936 1.00 23.44 H new HETATM 0 H382 PNS A 101 -11.746 -10.737 -4.380 1.00 53.53 H new HETATM 0 H381 PNS A 101 -12.981 -9.494 -4.399 1.00 53.53 H new HETATM 0 H372 PNS A 101 -10.486 -9.586 -6.173 1.00 23.44 H new HETATM 0 H371 PNS A 101 -12.139 -9.858 -6.688 1.00 23.44 H new HETATM 0 H313 PNS A 101 -13.340 -6.843 -4.694 1.00 73.41 H new HETATM 0 H312 PNS A 101 -14.051 -5.378 -3.977 1.00 73.41 H new HETATM 0 H311 PNS A 101 -12.291 -5.488 -4.215 1.00 73.41 H new HETATM 0 H303 PNS A 101 -14.889 -6.581 -6.676 1.00 31.14 H new HETATM 0 H302 PNS A 101 -14.932 -5.037 -7.559 1.00 31.14 H new HETATM 0 H301 PNS A 101 -15.568 -5.131 -5.900 1.00 31.14 H new HETATM 0 H282 PNS A 101 -12.335 -3.351 -5.482 1.00 35.44 H new HETATM 0 H281 PNS A 101 -13.370 -3.156 -6.883 1.00 35.44 H new HETATM 0 H44 PNS A 101 -7.308 -9.147 -4.833 1.00 42.31 H new HETATM 0 H41 PNS A 101 -10.018 -7.949 -4.845 1.00 54.13 H new HETATM 0 H36 PNS A 101 -11.205 -7.257 -5.522 1.00 4.32 H new HETATM 0 H33 PNS A 101 -10.378 -5.308 -7.235 1.00 23.20 H new HETATM 0 H32 PNS A 101 -12.509 -5.229 -7.957 1.00 43.34 H new