USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 721 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 9 LYS NZ :NH3+ 167:sc= -0.0508 (180deg=-0.243) USER MOD Set 1.2: A 66 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= -2.63! C(o=-2.4!,f=-2.4!) USER MOD Set 2.2: A 41 TYR OH : rot 6:sc= 0.24 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.214 (180deg=-0.885) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -20:sc= 0.877 USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0618 (180deg=-0.34) USER MOD Single : A 10 ASN : amide:sc= -3.41! K(o=-3.4!,f=-2.1) USER MOD Single : A 13 MET CE :methyl 143:sc= -0.892 (180deg=-3.34!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 133:sc= -2.52! (180deg=-6.93!) USER MOD Single : A 18 GLN : amide:sc= -16.8! C(o=-17!,f=-25!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 24 CYS SG : rot -16:sc= -6.12! USER MOD Single : A 26 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 29 MET CE :methyl 161:sc= -0.138 (180deg=-0.627) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0423 (180deg=-0.282) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.53 K(o=-3.5,f=-0.64) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.0357 (180deg=-0.302) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0498 (180deg=-0.262) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 51 ASN : amide:sc= -4.06! C(o=-4.1!,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.2 USER MOD Single : A 55 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.6) USER MOD Single : A 56 CYS SG : rot 27:sc= -2.97 USER MOD Single : A 61 SER OG : rot 15:sc= 0.613 USER MOD Single : A 63 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.27) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 178:sc= 0.268 USER MOD Single : A 70 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-8.4!) USER MOD Single : A 72 THR OG1 : rot -60:sc= -0.711 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.841! (180deg=-2.46!) USER MOD Single : A 74 HIS : no HE2:sc= -0.999 K(o=-1,f=-1.5) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.52) USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= -3.37! (180deg=-7.73!) USER MOD Single : A 90 SER OG : rot -47:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.240 8.952 11.190 1.00 0.00 N ATOM 2 CA MET A 1 16.637 9.100 9.841 1.00 0.00 C ATOM 3 C MET A 1 16.607 7.768 9.099 1.00 0.00 C ATOM 4 O MET A 1 17.627 7.306 8.590 1.00 0.00 O ATOM 5 CB MET A 1 17.455 10.124 9.051 1.00 0.00 C ATOM 6 CG MET A 1 16.930 10.368 7.646 1.00 0.00 C ATOM 7 SD MET A 1 17.914 11.576 6.737 1.00 0.00 S ATOM 8 CE MET A 1 19.516 10.776 6.737 1.00 0.00 C ATOM 0 H1 MET A 1 17.247 9.874 11.670 1.00 0.00 H new ATOM 0 H2 MET A 1 16.681 8.275 11.748 1.00 0.00 H new ATOM 0 H3 MET A 1 18.215 8.603 11.098 1.00 0.00 H new ATOM 0 HA MET A 1 15.607 9.440 9.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.464 11.068 9.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.488 9.782 8.990 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.920 9.426 7.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.898 10.715 7.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.119 11.168 5.918 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.020 10.971 7.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.386 9.701 6.610 1.00 0.00 H new ATOM 20 N SER A 2 15.429 7.152 9.043 1.00 0.00 N ATOM 21 CA SER A 2 15.265 5.873 8.365 1.00 0.00 C ATOM 22 C SER A 2 13.790 5.574 8.114 1.00 0.00 C ATOM 23 O SER A 2 13.289 4.511 8.479 1.00 0.00 O ATOM 24 CB SER A 2 15.894 4.750 9.193 1.00 0.00 C ATOM 25 OG SER A 2 17.280 4.973 9.388 1.00 0.00 O ATOM 0 H SER A 2 14.574 7.520 9.460 1.00 0.00 H new ATOM 0 HA SER A 2 15.772 5.932 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.394 4.683 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.744 3.795 8.689 1.00 0.00 H new ATOM 0 HG SER A 2 17.611 5.594 8.706 1.00 0.00 H new ATOM 31 N ASP A 3 13.098 6.522 7.488 1.00 0.00 N ATOM 32 CA ASP A 3 11.681 6.360 7.189 1.00 0.00 C ATOM 33 C ASP A 3 10.873 6.194 8.472 1.00 0.00 C ATOM 34 O ASP A 3 10.803 5.102 9.037 1.00 0.00 O ATOM 35 CB ASP A 3 11.465 5.153 6.273 1.00 0.00 C ATOM 36 CG ASP A 3 10.005 4.952 5.909 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.161 5.749 6.369 1.00 0.00 O ATOM 38 OD2 ASP A 3 9.708 3.996 5.160 1.00 0.00 O ATOM 0 H ASP A 3 13.496 7.409 7.179 1.00 0.00 H new ATOM 0 HA ASP A 3 11.336 7.259 6.677 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.048 5.284 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.840 4.256 6.765 1.00 0.00 H new ATOM 43 N ARG A 4 10.265 7.284 8.929 1.00 0.00 N ATOM 44 CA ARG A 4 9.465 7.260 10.146 1.00 0.00 C ATOM 45 C ARG A 4 8.075 7.839 9.909 1.00 0.00 C ATOM 46 O ARG A 4 7.489 8.464 10.792 1.00 0.00 O ATOM 47 CB ARG A 4 10.174 8.024 11.261 1.00 0.00 C ATOM 48 CG ARG A 4 10.716 9.384 10.844 1.00 0.00 C ATOM 49 CD ARG A 4 9.601 10.368 10.518 1.00 0.00 C ATOM 50 NE ARG A 4 8.689 10.560 11.644 1.00 0.00 N ATOM 51 CZ ARG A 4 9.038 11.130 12.796 1.00 0.00 C ATOM 52 NH1 ARG A 4 10.262 11.615 12.961 1.00 0.00 N ATOM 53 NH2 ARG A 4 8.154 11.229 13.779 1.00 0.00 N ATOM 0 H ARG A 4 10.312 8.195 8.473 1.00 0.00 H new ATOM 0 HA ARG A 4 9.347 6.219 10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.479 8.162 12.089 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.999 7.416 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.334 9.789 11.645 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.361 9.266 9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.036 11.327 10.237 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.040 10.007 9.656 1.00 0.00 H new ATOM 0 HE ARG A 4 7.727 10.238 11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.942 11.552 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.523 12.050 13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.208 10.869 13.652 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.420 11.665 14.662 1.00 0.00 H new ATOM 67 N LYS A 5 7.556 7.615 8.713 1.00 0.00 N ATOM 68 CA LYS A 5 6.234 8.097 8.345 1.00 0.00 C ATOM 69 C LYS A 5 5.249 6.940 8.267 1.00 0.00 C ATOM 70 O LYS A 5 4.058 7.106 8.523 1.00 0.00 O ATOM 71 CB LYS A 5 6.294 8.857 7.012 1.00 0.00 C ATOM 72 CG LYS A 5 6.879 8.053 5.855 1.00 0.00 C ATOM 73 CD LYS A 5 5.830 7.198 5.156 1.00 0.00 C ATOM 74 CE LYS A 5 4.814 8.054 4.416 1.00 0.00 C ATOM 75 NZ LYS A 5 5.449 8.897 3.367 1.00 0.00 N ATOM 0 H LYS A 5 8.034 7.098 7.975 1.00 0.00 H new ATOM 0 HA LYS A 5 5.887 8.786 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.287 9.177 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.889 9.760 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.329 8.734 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.677 7.412 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.319 6.523 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.317 6.577 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.064 7.410 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.293 8.694 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.719 9.251 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.934 9.701 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.139 8.329 2.836 1.00 0.00 H new ATOM 89 N ALA A 6 5.756 5.762 7.917 1.00 0.00 N ATOM 90 CA ALA A 6 4.921 4.574 7.809 1.00 0.00 C ATOM 91 C ALA A 6 4.674 3.955 9.179 1.00 0.00 C ATOM 92 O ALA A 6 5.614 3.567 9.875 1.00 0.00 O ATOM 93 CB ALA A 6 5.563 3.559 6.872 1.00 0.00 C ATOM 0 H ALA A 6 6.741 5.606 7.704 1.00 0.00 H new ATOM 0 HA ALA A 6 3.958 4.871 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.927 2.676 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.681 4.001 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.540 3.272 7.261 1.00 0.00 H new ATOM 99 N VAL A 7 3.406 3.866 9.563 1.00 0.00 N ATOM 100 CA VAL A 7 3.040 3.293 10.854 1.00 0.00 C ATOM 101 C VAL A 7 2.128 2.083 10.678 1.00 0.00 C ATOM 102 O VAL A 7 0.916 2.225 10.512 1.00 0.00 O ATOM 103 CB VAL A 7 2.338 4.330 11.754 1.00 0.00 C ATOM 104 CG1 VAL A 7 2.044 3.744 13.128 1.00 0.00 C ATOM 105 CG2 VAL A 7 3.184 5.589 11.874 1.00 0.00 C ATOM 0 H VAL A 7 2.616 4.182 9.001 1.00 0.00 H new ATOM 0 HA VAL A 7 3.966 2.979 11.335 1.00 0.00 H new ATOM 0 HB VAL A 7 1.388 4.597 11.292 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.549 4.494 13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.395 2.875 13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.978 3.443 13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.674 6.310 12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.151 5.338 12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.334 6.022 10.885 1.00 0.00 H new ATOM 115 N ILE A 8 2.720 0.894 10.717 1.00 0.00 N ATOM 116 CA ILE A 8 1.962 -0.341 10.562 1.00 0.00 C ATOM 117 C ILE A 8 0.921 -0.483 11.668 1.00 0.00 C ATOM 118 O ILE A 8 1.176 -0.138 12.821 1.00 0.00 O ATOM 119 CB ILE A 8 2.890 -1.573 10.576 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.956 -1.446 9.486 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.085 -2.852 10.387 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.911 -2.618 9.434 1.00 0.00 C ATOM 0 H ILE A 8 3.722 0.760 10.855 1.00 0.00 H new ATOM 0 HA ILE A 8 1.458 -0.290 9.597 1.00 0.00 H new ATOM 0 HB ILE A 8 3.387 -1.621 11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.464 -1.345 8.518 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.525 -0.531 9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.757 -3.710 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.359 -2.948 11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.562 -2.815 9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.639 -2.459 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.430 -2.707 10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.353 -3.534 9.238 1.00 0.00 H new ATOM 134 N LYS A 9 -0.251 -0.994 11.309 1.00 0.00 N ATOM 135 CA LYS A 9 -1.331 -1.182 12.270 1.00 0.00 C ATOM 136 C LYS A 9 -1.555 -2.663 12.552 1.00 0.00 C ATOM 137 O LYS A 9 -1.463 -3.109 13.695 1.00 0.00 O ATOM 138 CB LYS A 9 -2.622 -0.548 11.750 1.00 0.00 C ATOM 139 CG LYS A 9 -3.802 -0.703 12.696 1.00 0.00 C ATOM 140 CD LYS A 9 -3.525 -0.057 14.043 1.00 0.00 C ATOM 141 CE LYS A 9 -4.703 -0.218 14.992 1.00 0.00 C ATOM 142 NZ LYS A 9 -5.018 -1.651 15.254 1.00 0.00 N ATOM 0 H LYS A 9 -0.478 -1.286 10.358 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.045 -0.692 13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.449 0.513 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.876 -0.997 10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.688 -0.252 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.020 -1.762 12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.636 -0.505 14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.312 1.003 13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.480 0.282 15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.579 0.274 14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.669 -1.721 16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.464 -2.068 14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.141 -2.165 15.471 1.00 0.00 H new ATOM 156 N ASN A 10 -1.849 -3.423 11.501 1.00 0.00 N ATOM 157 CA ASN A 10 -2.084 -4.855 11.637 1.00 0.00 C ATOM 158 C ASN A 10 -1.344 -5.629 10.551 1.00 0.00 C ATOM 159 O ASN A 10 -0.939 -5.062 9.536 1.00 0.00 O ATOM 160 CB ASN A 10 -3.581 -5.158 11.567 1.00 0.00 C ATOM 161 CG ASN A 10 -3.883 -6.628 11.772 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.603 -7.188 12.831 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.450 -7.265 10.754 1.00 0.00 N ATOM 0 H ASN A 10 -1.930 -3.071 10.547 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.704 -5.171 12.609 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.103 -4.574 12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.968 -4.842 10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.670 -8.258 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.665 -6.761 9.893 1.00 0.00 H new ATOM 170 N ALA A 11 -1.168 -6.926 10.774 1.00 0.00 N ATOM 171 CA ALA A 11 -0.475 -7.783 9.820 1.00 0.00 C ATOM 172 C ALA A 11 -0.428 -9.222 10.324 1.00 0.00 C ATOM 173 O ALA A 11 0.165 -9.501 11.366 1.00 0.00 O ATOM 174 CB ALA A 11 0.933 -7.259 9.571 1.00 0.00 C ATOM 0 H ALA A 11 -1.497 -7.408 11.610 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.025 -7.770 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.441 -7.907 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.879 -6.247 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.488 -7.247 10.509 1.00 0.00 H new ATOM 180 N ASP A 12 -1.057 -10.135 9.589 1.00 0.00 N ATOM 181 CA ASP A 12 -1.081 -11.540 9.985 1.00 0.00 C ATOM 182 C ASP A 12 -0.929 -12.469 8.782 1.00 0.00 C ATOM 183 O ASP A 12 -1.775 -13.332 8.542 1.00 0.00 O ATOM 184 CB ASP A 12 -2.385 -11.857 10.721 1.00 0.00 C ATOM 185 CG ASP A 12 -2.560 -11.025 11.977 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.611 -9.782 11.864 1.00 0.00 O ATOM 187 OD2 ASP A 12 -2.646 -11.616 13.074 1.00 0.00 O ATOM 0 H ASP A 12 -1.554 -9.930 8.722 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.234 -11.709 10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.228 -11.681 10.052 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.402 -12.915 10.984 1.00 0.00 H new ATOM 192 N MET A 13 0.156 -12.299 8.029 1.00 0.00 N ATOM 193 CA MET A 13 0.405 -13.137 6.859 1.00 0.00 C ATOM 194 C MET A 13 1.862 -13.597 6.793 1.00 0.00 C ATOM 195 O MET A 13 2.660 -13.301 7.682 1.00 0.00 O ATOM 196 CB MET A 13 0.002 -12.396 5.582 1.00 0.00 C ATOM 197 CG MET A 13 0.453 -10.946 5.547 1.00 0.00 C ATOM 198 SD MET A 13 -0.200 -10.060 4.119 1.00 0.00 S ATOM 199 CE MET A 13 -1.961 -10.223 4.394 1.00 0.00 C ATOM 0 H MET A 13 0.872 -11.594 8.206 1.00 0.00 H new ATOM 0 HA MET A 13 -0.209 -14.033 6.950 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.422 -12.918 4.722 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.083 -12.432 5.479 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.131 -10.446 6.460 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.542 -10.907 5.529 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.463 -9.305 4.089 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.345 -11.059 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.149 -10.405 5.452 1.00 0.00 H new ATOM 209 N SER A 14 2.192 -14.347 5.740 1.00 0.00 N ATOM 210 CA SER A 14 3.543 -14.884 5.552 1.00 0.00 C ATOM 211 C SER A 14 4.625 -13.818 5.714 1.00 0.00 C ATOM 212 O SER A 14 5.775 -14.145 6.002 1.00 0.00 O ATOM 213 CB SER A 14 3.668 -15.538 4.174 1.00 0.00 C ATOM 214 OG SER A 14 2.757 -16.615 4.034 1.00 0.00 O ATOM 0 H SER A 14 1.538 -14.598 4.999 1.00 0.00 H new ATOM 0 HA SER A 14 3.697 -15.630 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.480 -14.796 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.687 -15.899 4.031 1.00 0.00 H new ATOM 0 HG SER A 14 2.856 -17.014 3.144 1.00 0.00 H new ATOM 220 N GLU A 15 4.250 -12.550 5.523 1.00 0.00 N ATOM 221 CA GLU A 15 5.177 -11.413 5.641 1.00 0.00 C ATOM 222 C GLU A 15 5.721 -11.004 4.277 1.00 0.00 C ATOM 223 O GLU A 15 6.006 -9.827 4.035 1.00 0.00 O ATOM 224 CB GLU A 15 6.342 -11.706 6.598 1.00 0.00 C ATOM 225 CG GLU A 15 5.900 -12.116 7.994 1.00 0.00 C ATOM 226 CD GLU A 15 7.071 -12.383 8.919 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.875 -11.455 9.143 1.00 0.00 O ATOM 228 OE2 GLU A 15 7.184 -13.521 9.420 1.00 0.00 O ATOM 0 H GLU A 15 3.297 -12.279 5.282 1.00 0.00 H new ATOM 0 HA GLU A 15 4.600 -10.588 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.958 -12.499 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.971 -10.819 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.277 -11.330 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.282 -13.012 7.928 1.00 0.00 H new ATOM 235 N ASP A 16 5.849 -11.973 3.378 1.00 0.00 N ATOM 236 CA ASP A 16 6.345 -11.698 2.038 1.00 0.00 C ATOM 237 C ASP A 16 5.442 -10.690 1.342 1.00 0.00 C ATOM 238 O ASP A 16 5.856 -10.009 0.402 1.00 0.00 O ATOM 239 CB ASP A 16 6.428 -12.988 1.218 1.00 0.00 C ATOM 240 CG ASP A 16 7.359 -14.011 1.839 1.00 0.00 C ATOM 241 OD1 ASP A 16 7.943 -13.717 2.904 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.506 -15.107 1.259 1.00 0.00 O ATOM 0 H ASP A 16 5.617 -12.951 3.553 1.00 0.00 H new ATOM 0 HA ASP A 16 7.347 -11.277 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.431 -13.419 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.771 -12.753 0.211 1.00 0.00 H new ATOM 247 N MET A 17 4.210 -10.586 1.826 1.00 0.00 N ATOM 248 CA MET A 17 3.255 -9.649 1.267 1.00 0.00 C ATOM 249 C MET A 17 3.384 -8.309 1.950 1.00 0.00 C ATOM 250 O MET A 17 3.182 -7.273 1.330 1.00 0.00 O ATOM 251 CB MET A 17 1.832 -10.188 1.395 1.00 0.00 C ATOM 252 CG MET A 17 1.514 -11.320 0.432 1.00 0.00 C ATOM 253 SD MET A 17 2.473 -12.808 0.769 1.00 0.00 S ATOM 254 CE MET A 17 1.923 -13.187 2.430 1.00 0.00 C ATOM 0 H MET A 17 3.853 -11.141 2.604 1.00 0.00 H new ATOM 0 HA MET A 17 3.471 -9.521 0.206 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.677 -10.538 2.416 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.128 -9.373 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.452 -11.556 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.710 -10.990 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.676 -14.246 2.499 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.718 -12.953 3.139 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.040 -12.592 2.666 1.00 0.00 H new ATOM 264 N GLN A 18 3.762 -8.327 3.218 1.00 0.00 N ATOM 265 CA GLN A 18 3.963 -7.089 3.943 1.00 0.00 C ATOM 266 C GLN A 18 5.116 -6.342 3.281 1.00 0.00 C ATOM 267 O GLN A 18 5.199 -5.113 3.337 1.00 0.00 O ATOM 268 CB GLN A 18 4.279 -7.365 5.414 1.00 0.00 C ATOM 269 CG GLN A 18 3.441 -8.484 6.011 1.00 0.00 C ATOM 270 CD GLN A 18 1.953 -8.224 5.930 1.00 0.00 C ATOM 271 OE1 GLN A 18 1.438 -7.820 4.888 1.00 0.00 O ATOM 272 NE2 GLN A 18 1.252 -8.486 7.025 1.00 0.00 N ATOM 0 H GLN A 18 3.933 -9.175 3.758 1.00 0.00 H new ATOM 0 HA GLN A 18 3.054 -6.488 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.334 -7.621 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.118 -6.454 5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.669 -9.416 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.723 -8.622 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.724 -8.819 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.241 -8.354 7.027 1.00 0.00 H new ATOM 281 N GLN A 19 5.988 -7.111 2.616 1.00 0.00 N ATOM 282 CA GLN A 19 7.123 -6.539 1.906 1.00 0.00 C ATOM 283 C GLN A 19 6.673 -6.026 0.548 1.00 0.00 C ATOM 284 O GLN A 19 6.881 -4.861 0.210 1.00 0.00 O ATOM 285 CB GLN A 19 8.232 -7.579 1.738 1.00 0.00 C ATOM 286 CG GLN A 19 8.768 -8.118 3.053 1.00 0.00 C ATOM 287 CD GLN A 19 9.870 -9.141 2.859 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.662 -10.183 2.238 1.00 0.00 O ATOM 289 NE2 GLN A 19 11.050 -8.848 3.393 1.00 0.00 N ATOM 0 H GLN A 19 5.924 -8.127 2.559 1.00 0.00 H new ATOM 0 HA GLN A 19 7.519 -5.708 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.852 -8.409 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.053 -7.134 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.147 -7.291 3.653 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.952 -8.571 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.177 -7.972 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.829 -9.499 3.296 1.00 0.00 H new ATOM 298 N ASP A 20 6.025 -6.898 -0.212 1.00 0.00 N ATOM 299 CA ASP A 20 5.512 -6.524 -1.522 1.00 0.00 C ATOM 300 C ASP A 20 4.404 -5.488 -1.364 1.00 0.00 C ATOM 301 O ASP A 20 4.074 -4.762 -2.301 1.00 0.00 O ATOM 302 CB ASP A 20 4.982 -7.755 -2.263 1.00 0.00 C ATOM 303 CG ASP A 20 4.450 -7.416 -3.643 1.00 0.00 C ATOM 304 OD1 ASP A 20 5.232 -6.904 -4.472 1.00 0.00 O ATOM 305 OD2 ASP A 20 3.252 -7.664 -3.894 1.00 0.00 O ATOM 0 H ASP A 20 5.843 -7.865 0.055 1.00 0.00 H new ATOM 0 HA ASP A 20 6.324 -6.094 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.780 -8.491 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.189 -8.216 -1.674 1.00 0.00 H new ATOM 310 N ALA A 21 3.847 -5.418 -0.155 1.00 0.00 N ATOM 311 CA ALA A 21 2.792 -4.465 0.147 1.00 0.00 C ATOM 312 C ALA A 21 3.374 -3.073 0.284 1.00 0.00 C ATOM 313 O ALA A 21 2.932 -2.131 -0.373 1.00 0.00 O ATOM 314 CB ALA A 21 2.056 -4.860 1.418 1.00 0.00 C ATOM 0 H ALA A 21 4.113 -6.013 0.629 1.00 0.00 H new ATOM 0 HA ALA A 21 2.076 -4.469 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.271 -4.133 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.612 -5.847 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.757 -4.884 2.252 1.00 0.00 H new ATOM 320 N VAL A 22 4.389 -2.954 1.130 1.00 0.00 N ATOM 321 CA VAL A 22 5.053 -1.678 1.335 1.00 0.00 C ATOM 322 C VAL A 22 5.702 -1.214 0.040 1.00 0.00 C ATOM 323 O VAL A 22 5.845 -0.016 -0.203 1.00 0.00 O ATOM 324 CB VAL A 22 6.124 -1.766 2.439 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.764 -0.407 2.679 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.521 -2.314 3.724 1.00 0.00 C ATOM 0 H VAL A 22 4.768 -3.723 1.682 1.00 0.00 H new ATOM 0 HA VAL A 22 4.296 -0.960 1.649 1.00 0.00 H new ATOM 0 HB VAL A 22 6.903 -2.452 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.517 -0.493 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.235 -0.059 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.999 0.306 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.292 -2.369 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.720 -1.655 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.119 -3.310 3.541 1.00 0.00 H new ATOM 336 N ASP A 23 6.078 -2.175 -0.801 1.00 0.00 N ATOM 337 CA ASP A 23 6.694 -1.858 -2.082 1.00 0.00 C ATOM 338 C ASP A 23 5.647 -1.429 -3.069 1.00 0.00 C ATOM 339 O ASP A 23 5.742 -0.349 -3.638 1.00 0.00 O ATOM 340 CB ASP A 23 7.490 -3.050 -2.619 1.00 0.00 C ATOM 341 CG ASP A 23 8.606 -3.473 -1.683 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.760 -2.840 -0.617 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.326 -4.437 -2.017 1.00 0.00 O ATOM 0 H ASP A 23 5.967 -3.172 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 23 7.391 -1.033 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.815 -3.891 -2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.913 -2.792 -3.590 1.00 0.00 H new ATOM 348 N CYS A 24 4.629 -2.247 -3.254 1.00 0.00 N ATOM 349 CA CYS A 24 3.564 -1.877 -4.167 1.00 0.00 C ATOM 350 C CYS A 24 2.955 -0.554 -3.718 1.00 0.00 C ATOM 351 O CYS A 24 2.306 0.132 -4.499 1.00 0.00 O ATOM 352 CB CYS A 24 2.490 -2.963 -4.236 1.00 0.00 C ATOM 353 SG CYS A 24 1.526 -3.148 -2.718 1.00 0.00 S ATOM 0 H CYS A 24 4.516 -3.152 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 24 3.983 -1.766 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.812 -2.736 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.966 -3.915 -4.469 1.00 0.00 H new ATOM 0 HG CYS A 24 2.148 -2.566 -1.736 1.00 0.00 H new ATOM 359 N ALA A 25 3.189 -0.190 -2.454 1.00 0.00 N ATOM 360 CA ALA A 25 2.675 1.059 -1.919 1.00 0.00 C ATOM 361 C ALA A 25 3.642 2.197 -2.206 1.00 0.00 C ATOM 362 O ALA A 25 3.233 3.340 -2.406 1.00 0.00 O ATOM 363 CB ALA A 25 2.423 0.937 -0.423 1.00 0.00 C ATOM 0 H ALA A 25 3.729 -0.745 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 25 1.727 1.279 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.038 1.882 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.694 0.148 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.356 0.693 0.084 1.00 0.00 H new ATOM 369 N THR A 26 4.930 1.871 -2.238 1.00 0.00 N ATOM 370 CA THR A 26 5.955 2.864 -2.516 1.00 0.00 C ATOM 371 C THR A 26 6.019 3.151 -4.009 1.00 0.00 C ATOM 372 O THR A 26 6.134 4.305 -4.425 1.00 0.00 O ATOM 373 CB THR A 26 7.317 2.385 -2.010 1.00 0.00 C ATOM 374 OG1 THR A 26 7.276 2.140 -0.617 1.00 0.00 O ATOM 375 CG2 THR A 26 8.434 3.374 -2.269 1.00 0.00 C ATOM 0 H THR A 26 5.286 0.929 -2.075 1.00 0.00 H new ATOM 0 HA THR A 26 5.696 3.784 -1.993 1.00 0.00 H new ATOM 0 HB THR A 26 7.526 1.471 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.839 1.279 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.372 2.972 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.525 3.547 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.210 4.315 -1.767 1.00 0.00 H new ATOM 383 N GLN A 27 5.931 2.098 -4.813 1.00 0.00 N ATOM 384 CA GLN A 27 5.968 2.255 -6.260 1.00 0.00 C ATOM 385 C GLN A 27 4.624 2.740 -6.774 1.00 0.00 C ATOM 386 O GLN A 27 4.563 3.498 -7.742 1.00 0.00 O ATOM 387 CB GLN A 27 6.371 0.945 -6.943 1.00 0.00 C ATOM 388 CG GLN A 27 5.403 -0.200 -6.710 1.00 0.00 C ATOM 389 CD GLN A 27 5.985 -1.536 -7.126 1.00 0.00 C ATOM 390 OE1 GLN A 27 6.270 -1.767 -8.300 1.00 0.00 O ATOM 391 NE2 GLN A 27 6.172 -2.424 -6.155 1.00 0.00 N ATOM 0 H GLN A 27 5.834 1.135 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 27 6.721 3.004 -6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.459 1.119 -8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.358 0.650 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.133 -0.236 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.485 -0.016 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.921 -2.190 -5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.566 -3.340 -6.370 1.00 0.00 H new ATOM 400 N ALA A 28 3.544 2.335 -6.110 1.00 0.00 N ATOM 401 CA ALA A 28 2.224 2.782 -6.516 1.00 0.00 C ATOM 402 C ALA A 28 2.025 4.235 -6.112 1.00 0.00 C ATOM 403 O ALA A 28 1.344 4.991 -6.800 1.00 0.00 O ATOM 404 CB ALA A 28 1.130 1.914 -5.919 1.00 0.00 C ATOM 0 H ALA A 28 3.559 1.710 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 28 2.157 2.695 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.157 2.280 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.261 0.884 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.186 1.954 -4.831 1.00 0.00 H new ATOM 410 N MET A 29 2.641 4.623 -4.996 1.00 0.00 N ATOM 411 CA MET A 29 2.546 5.984 -4.502 1.00 0.00 C ATOM 412 C MET A 29 3.469 6.899 -5.296 1.00 0.00 C ATOM 413 O MET A 29 3.211 8.096 -5.427 1.00 0.00 O ATOM 414 CB MET A 29 2.903 6.026 -3.017 1.00 0.00 C ATOM 415 CG MET A 29 2.908 7.425 -2.433 1.00 0.00 C ATOM 416 SD MET A 29 1.303 8.236 -2.550 1.00 0.00 S ATOM 417 CE MET A 29 0.284 7.110 -1.600 1.00 0.00 C ATOM 0 H MET A 29 3.212 4.006 -4.419 1.00 0.00 H new ATOM 0 HA MET A 29 1.521 6.335 -4.627 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.192 5.413 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.887 5.579 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.210 7.376 -1.387 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.653 8.028 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.630 7.618 -1.293 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.030 6.245 -2.212 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.831 6.782 -0.716 1.00 0.00 H new ATOM 427 N GLU A 30 4.538 6.324 -5.836 1.00 0.00 N ATOM 428 CA GLU A 30 5.489 7.077 -6.629 1.00 0.00 C ATOM 429 C GLU A 30 5.007 7.161 -8.071 1.00 0.00 C ATOM 430 O GLU A 30 5.138 8.195 -8.728 1.00 0.00 O ATOM 431 CB GLU A 30 6.865 6.417 -6.564 1.00 0.00 C ATOM 432 CG GLU A 30 7.903 7.086 -7.443 1.00 0.00 C ATOM 433 CD GLU A 30 8.150 8.533 -7.058 1.00 0.00 C ATOM 434 OE1 GLU A 30 7.190 9.331 -7.106 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.301 8.867 -6.709 1.00 0.00 O ATOM 0 H GLU A 30 4.764 5.334 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 30 5.570 8.087 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.215 6.427 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.771 5.372 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.840 6.532 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.577 7.041 -8.482 1.00 0.00 H new ATOM 442 N LYS A 31 4.437 6.061 -8.547 1.00 0.00 N ATOM 443 CA LYS A 31 3.914 5.992 -9.908 1.00 0.00 C ATOM 444 C LYS A 31 2.499 6.567 -9.969 1.00 0.00 C ATOM 445 O LYS A 31 2.085 7.116 -10.989 1.00 0.00 O ATOM 446 CB LYS A 31 3.914 4.546 -10.404 1.00 0.00 C ATOM 447 CG LYS A 31 3.384 4.387 -11.820 1.00 0.00 C ATOM 448 CD LYS A 31 4.219 5.173 -12.818 1.00 0.00 C ATOM 449 CE LYS A 31 3.691 5.014 -14.236 1.00 0.00 C ATOM 450 NZ LYS A 31 3.703 3.591 -14.678 1.00 0.00 N ATOM 0 H LYS A 31 4.324 5.201 -8.010 1.00 0.00 H new ATOM 0 HA LYS A 31 4.560 6.587 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.931 4.156 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.310 3.939 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.385 3.332 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.349 4.726 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.217 6.228 -12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.254 4.834 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.674 5.402 -14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.297 5.611 -14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.567 3.546 -15.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.616 3.158 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.935 3.074 -14.204 1.00 0.00 H new ATOM 464 N TYR A 32 1.769 6.440 -8.865 1.00 0.00 N ATOM 465 CA TYR A 32 0.403 6.949 -8.779 1.00 0.00 C ATOM 466 C TYR A 32 0.193 7.707 -7.479 1.00 0.00 C ATOM 467 O TYR A 32 0.579 7.248 -6.407 1.00 0.00 O ATOM 468 CB TYR A 32 -0.611 5.810 -8.899 1.00 0.00 C ATOM 469 CG TYR A 32 -0.673 5.198 -10.280 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.984 5.975 -11.389 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.426 3.845 -10.475 1.00 0.00 C ATOM 472 CE1 TYR A 32 -1.047 5.422 -12.653 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.486 3.285 -11.739 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.796 4.078 -12.822 1.00 0.00 C ATOM 475 OH TYR A 32 -0.858 3.524 -14.081 1.00 0.00 O ATOM 0 H TYR A 32 2.102 5.987 -8.014 1.00 0.00 H new ATOM 0 HA TYR A 32 0.248 7.637 -9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.359 5.033 -8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.599 6.185 -8.632 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.180 7.029 -11.260 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.184 3.221 -9.628 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.292 6.040 -13.504 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.291 2.232 -11.876 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.654 2.567 -14.028 1.00 0.00 H new ATOM 485 N ASN A 33 -0.419 8.877 -7.585 1.00 0.00 N ATOM 486 CA ASN A 33 -0.683 9.708 -6.422 1.00 0.00 C ATOM 487 C ASN A 33 -2.179 9.777 -6.143 1.00 0.00 C ATOM 488 O ASN A 33 -2.636 10.609 -5.360 1.00 0.00 O ATOM 489 CB ASN A 33 -0.118 11.117 -6.640 1.00 0.00 C ATOM 490 CG ASN A 33 1.385 11.136 -6.906 1.00 0.00 C ATOM 491 OD1 ASN A 33 1.934 12.165 -7.293 1.00 0.00 O ATOM 492 ND2 ASN A 33 2.064 10.011 -6.677 1.00 0.00 N ATOM 0 H ASN A 33 -0.743 9.273 -8.468 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.191 9.261 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.634 11.580 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.331 11.725 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.073 9.986 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.574 9.176 -6.356 1.00 0.00 H new ATOM 499 N ILE A 34 -2.940 8.896 -6.790 1.00 0.00 N ATOM 500 CA ILE A 34 -4.383 8.859 -6.609 1.00 0.00 C ATOM 501 C ILE A 34 -4.753 7.889 -5.492 1.00 0.00 C ATOM 502 O ILE A 34 -3.898 7.463 -4.717 1.00 0.00 O ATOM 503 CB ILE A 34 -5.108 8.414 -7.900 1.00 0.00 C ATOM 504 CG1 ILE A 34 -4.210 8.572 -9.127 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.404 9.194 -8.074 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.946 8.465 -10.446 1.00 0.00 C ATOM 0 H ILE A 34 -2.578 8.201 -7.443 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.699 9.871 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.348 7.355 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.712 9.540 -9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.431 7.811 -9.095 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.904 8.870 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.056 9.012 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.182 10.259 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.240 8.588 -11.267 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.421 7.487 -10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.707 9.243 -10.502 1.00 0.00 H new ATOM 518 N GLU A 35 -6.029 7.526 -5.432 1.00 0.00 N ATOM 519 CA GLU A 35 -6.514 6.584 -4.436 1.00 0.00 C ATOM 520 C GLU A 35 -7.144 5.371 -5.116 1.00 0.00 C ATOM 521 O GLU A 35 -7.359 4.335 -4.487 1.00 0.00 O ATOM 522 CB GLU A 35 -7.526 7.256 -3.506 1.00 0.00 C ATOM 523 CG GLU A 35 -8.748 7.799 -4.229 1.00 0.00 C ATOM 524 CD GLU A 35 -9.737 8.465 -3.289 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.465 8.504 -2.070 1.00 0.00 O ATOM 526 OE2 GLU A 35 -10.783 8.947 -3.774 1.00 0.00 O ATOM 0 H GLU A 35 -6.748 7.873 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.666 6.249 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.849 6.537 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.035 8.072 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.429 8.518 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.245 6.984 -4.755 1.00 0.00 H new ATOM 533 N LYS A 36 -7.431 5.505 -6.412 1.00 0.00 N ATOM 534 CA LYS A 36 -8.022 4.425 -7.183 1.00 0.00 C ATOM 535 C LYS A 36 -6.948 3.660 -7.951 1.00 0.00 C ATOM 536 O LYS A 36 -7.144 2.502 -8.318 1.00 0.00 O ATOM 537 CB LYS A 36 -9.071 4.973 -8.152 1.00 0.00 C ATOM 538 CG LYS A 36 -10.218 5.691 -7.461 1.00 0.00 C ATOM 539 CD LYS A 36 -11.235 6.210 -8.465 1.00 0.00 C ATOM 540 CE LYS A 36 -12.385 6.926 -7.773 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.112 6.030 -6.833 1.00 0.00 N ATOM 0 H LYS A 36 -7.260 6.357 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.508 3.738 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.588 5.660 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.472 4.150 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.707 5.011 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.828 6.522 -6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.746 6.892 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.624 5.379 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.000 7.788 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.079 7.306 -8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.016 6.469 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.294 5.116 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.534 5.878 -5.982 1.00 0.00 H new ATOM 555 N ASP A 37 -5.802 4.306 -8.179 1.00 0.00 N ATOM 556 CA ASP A 37 -4.703 3.665 -8.885 1.00 0.00 C ATOM 557 C ASP A 37 -3.794 2.965 -7.894 1.00 0.00 C ATOM 558 O ASP A 37 -3.172 1.953 -8.211 1.00 0.00 O ATOM 559 CB ASP A 37 -3.913 4.684 -9.709 1.00 0.00 C ATOM 560 CG ASP A 37 -4.744 5.308 -10.813 1.00 0.00 C ATOM 561 OD1 ASP A 37 -5.947 4.987 -10.906 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.190 6.118 -11.586 1.00 0.00 O ATOM 0 H ASP A 37 -5.617 5.265 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.116 2.927 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.541 5.469 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.042 4.196 -10.146 1.00 0.00 H new ATOM 567 N ILE A 38 -3.750 3.490 -6.675 1.00 0.00 N ATOM 568 CA ILE A 38 -2.951 2.886 -5.626 1.00 0.00 C ATOM 569 C ILE A 38 -3.634 1.613 -5.175 1.00 0.00 C ATOM 570 O ILE A 38 -2.994 0.617 -4.848 1.00 0.00 O ATOM 571 CB ILE A 38 -2.799 3.824 -4.415 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.358 5.211 -4.875 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.806 3.248 -3.418 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.057 5.203 -5.635 1.00 0.00 C ATOM 0 H ILE A 38 -4.257 4.329 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.957 2.683 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.766 3.915 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.136 5.641 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.258 5.860 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.710 3.924 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.160 2.277 -3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.835 3.130 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.803 6.221 -5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.267 4.802 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.159 4.580 -6.524 1.00 0.00 H new ATOM 586 N ALA A 39 -4.956 1.655 -5.203 1.00 0.00 N ATOM 587 CA ALA A 39 -5.768 0.509 -4.827 1.00 0.00 C ATOM 588 C ALA A 39 -5.898 -0.439 -6.005 1.00 0.00 C ATOM 589 O ALA A 39 -6.086 -1.641 -5.835 1.00 0.00 O ATOM 590 CB ALA A 39 -7.139 0.964 -4.346 1.00 0.00 C ATOM 0 H ALA A 39 -5.492 2.476 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.280 -0.018 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.734 0.094 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.023 1.616 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.643 1.508 -5.145 1.00 0.00 H new ATOM 596 N ALA A 40 -5.769 0.117 -7.204 1.00 0.00 N ATOM 597 CA ALA A 40 -5.851 -0.675 -8.419 1.00 0.00 C ATOM 598 C ALA A 40 -4.477 -1.223 -8.783 1.00 0.00 C ATOM 599 O ALA A 40 -4.360 -2.223 -9.487 1.00 0.00 O ATOM 600 CB ALA A 40 -6.413 0.157 -9.561 1.00 0.00 C ATOM 0 H ALA A 40 -5.607 1.112 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.525 -1.514 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.467 -0.453 -10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.411 0.507 -9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.764 1.014 -9.741 1.00 0.00 H new ATOM 606 N TYR A 41 -3.437 -0.566 -8.282 1.00 0.00 N ATOM 607 CA TYR A 41 -2.069 -0.995 -8.547 1.00 0.00 C ATOM 608 C TYR A 41 -1.637 -2.030 -7.523 1.00 0.00 C ATOM 609 O TYR A 41 -0.842 -2.921 -7.816 1.00 0.00 O ATOM 610 CB TYR A 41 -1.114 0.202 -8.524 1.00 0.00 C ATOM 611 CG TYR A 41 0.328 -0.157 -8.822 1.00 0.00 C ATOM 612 CD1 TYR A 41 1.076 -0.924 -7.936 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.938 0.269 -9.996 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.390 -1.253 -8.212 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.251 -0.057 -10.277 1.00 0.00 C ATOM 616 CZ TYR A 41 2.972 -0.818 -9.382 1.00 0.00 C ATOM 617 OH TYR A 41 4.280 -1.144 -9.659 1.00 0.00 O ATOM 0 H TYR A 41 -3.514 0.263 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.035 -1.444 -9.539 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.453 0.939 -9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.165 0.676 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.623 -1.268 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.376 0.865 -10.700 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.958 -1.849 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.710 0.283 -11.194 1.00 0.00 H new ATOM 0 HH TYR A 41 4.616 -1.760 -8.975 1.00 0.00 H new ATOM 627 N ILE A 42 -2.186 -1.911 -6.325 1.00 0.00 N ATOM 628 CA ILE A 42 -1.884 -2.836 -5.247 1.00 0.00 C ATOM 629 C ILE A 42 -2.797 -4.045 -5.343 1.00 0.00 C ATOM 630 O ILE A 42 -2.404 -5.171 -5.027 1.00 0.00 O ATOM 631 CB ILE A 42 -2.067 -2.160 -3.873 1.00 0.00 C ATOM 632 CG1 ILE A 42 -1.137 -0.953 -3.749 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.804 -3.152 -2.749 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.552 0.013 -2.661 1.00 0.00 C ATOM 0 H ILE A 42 -2.848 -1.177 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.844 -3.148 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.098 -1.816 -3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.124 -1.303 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.109 -0.425 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.938 -2.656 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.502 -3.985 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.783 -3.526 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.850 0.846 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.553 0.390 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.553 -0.500 -1.700 1.00 0.00 H new ATOM 646 N LYS A 43 -4.015 -3.805 -5.816 1.00 0.00 N ATOM 647 CA LYS A 43 -4.980 -4.875 -5.985 1.00 0.00 C ATOM 648 C LYS A 43 -4.621 -5.672 -7.220 1.00 0.00 C ATOM 649 O LYS A 43 -4.755 -6.894 -7.243 1.00 0.00 O ATOM 650 CB LYS A 43 -6.402 -4.323 -6.100 1.00 0.00 C ATOM 651 CG LYS A 43 -7.465 -5.405 -6.192 1.00 0.00 C ATOM 652 CD LYS A 43 -8.864 -4.811 -6.243 1.00 0.00 C ATOM 653 CE LYS A 43 -9.168 -3.986 -5.003 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.546 -3.421 -5.034 1.00 0.00 N ATOM 0 H LYS A 43 -4.353 -2.881 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.949 -5.522 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.610 -3.693 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.466 -3.686 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.293 -6.010 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.383 -6.071 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.962 -4.185 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.597 -5.612 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.051 -4.608 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.445 -3.174 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.713 -2.866 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.651 -2.807 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.238 -4.196 -5.086 1.00 0.00 H new ATOM 668 N LYS A 44 -4.123 -4.977 -8.236 1.00 0.00 N ATOM 669 CA LYS A 44 -3.709 -5.649 -9.457 1.00 0.00 C ATOM 670 C LYS A 44 -2.335 -6.271 -9.253 1.00 0.00 C ATOM 671 O LYS A 44 -1.997 -7.277 -9.881 1.00 0.00 O ATOM 672 CB LYS A 44 -3.689 -4.683 -10.642 1.00 0.00 C ATOM 673 CG LYS A 44 -5.075 -4.256 -11.100 1.00 0.00 C ATOM 674 CD LYS A 44 -5.002 -3.242 -12.230 1.00 0.00 C ATOM 675 CE LYS A 44 -6.388 -2.815 -12.686 1.00 0.00 C ATOM 676 NZ LYS A 44 -6.328 -1.819 -13.790 1.00 0.00 N ATOM 0 H LYS A 44 -3.998 -3.965 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.431 -6.433 -9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.116 -3.797 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.169 -5.154 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.635 -5.131 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.621 -3.827 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.441 -2.368 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.457 -3.671 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.947 -3.690 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.932 -2.390 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.294 -1.554 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.817 -0.973 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.831 -2.233 -14.604 1.00 0.00 H new ATOM 690 N GLU A 45 -1.553 -5.680 -8.349 1.00 0.00 N ATOM 691 CA GLU A 45 -0.224 -6.195 -8.052 1.00 0.00 C ATOM 692 C GLU A 45 -0.320 -7.558 -7.381 1.00 0.00 C ATOM 693 O GLU A 45 0.472 -8.456 -7.665 1.00 0.00 O ATOM 694 CB GLU A 45 0.551 -5.221 -7.160 1.00 0.00 C ATOM 695 CG GLU A 45 1.909 -5.743 -6.713 1.00 0.00 C ATOM 696 CD GLU A 45 2.850 -6.000 -7.875 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.449 -5.756 -9.032 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.992 -6.443 -7.626 1.00 0.00 O ATOM 0 H GLU A 45 -1.817 -4.852 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 45 0.316 -6.303 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.692 -4.284 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.049 -4.995 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.365 -5.022 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.771 -6.667 -6.151 1.00 0.00 H new ATOM 705 N PHE A 46 -1.293 -7.711 -6.488 1.00 0.00 N ATOM 706 CA PHE A 46 -1.476 -8.974 -5.783 1.00 0.00 C ATOM 707 C PHE A 46 -2.233 -9.989 -6.633 1.00 0.00 C ATOM 708 O PHE A 46 -1.794 -11.128 -6.785 1.00 0.00 O ATOM 709 CB PHE A 46 -2.191 -8.755 -4.450 1.00 0.00 C ATOM 710 CG PHE A 46 -1.289 -8.229 -3.373 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.582 -7.052 -3.555 1.00 0.00 C ATOM 712 CD2 PHE A 46 -1.144 -8.914 -2.178 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.253 -6.570 -2.566 1.00 0.00 C ATOM 714 CE2 PHE A 46 -0.312 -8.438 -1.184 1.00 0.00 C ATOM 715 CZ PHE A 46 0.389 -7.264 -1.379 1.00 0.00 C ATOM 0 H PHE A 46 -1.961 -6.983 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.485 -9.381 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.015 -8.057 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.628 -9.698 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.685 -6.505 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.689 -9.833 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.799 -5.651 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.210 -8.982 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.042 -6.889 -0.605 1.00 0.00 H new ATOM 725 N ASP A 47 -3.367 -9.578 -7.185 1.00 0.00 N ATOM 726 CA ASP A 47 -4.172 -10.468 -8.017 1.00 0.00 C ATOM 727 C ASP A 47 -3.319 -11.109 -9.110 1.00 0.00 C ATOM 728 O ASP A 47 -3.519 -12.271 -9.467 1.00 0.00 O ATOM 729 CB ASP A 47 -5.329 -9.703 -8.665 1.00 0.00 C ATOM 730 CG ASP A 47 -6.256 -9.060 -7.652 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.018 -9.221 -6.440 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.220 -8.389 -8.077 1.00 0.00 O ATOM 0 H ASP A 47 -3.750 -8.639 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.573 -11.250 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.925 -8.931 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.903 -10.386 -9.292 1.00 0.00 H new ATOM 737 N LYS A 48 -2.380 -10.337 -9.647 1.00 0.00 N ATOM 738 CA LYS A 48 -1.507 -10.819 -10.712 1.00 0.00 C ATOM 739 C LYS A 48 -0.258 -11.508 -10.161 1.00 0.00 C ATOM 740 O LYS A 48 0.440 -12.209 -10.895 1.00 0.00 O ATOM 741 CB LYS A 48 -1.097 -9.659 -11.622 1.00 0.00 C ATOM 742 CG LYS A 48 -2.273 -8.966 -12.290 1.00 0.00 C ATOM 743 CD LYS A 48 -1.816 -7.809 -13.164 1.00 0.00 C ATOM 744 CE LYS A 48 -0.891 -8.280 -14.276 1.00 0.00 C ATOM 745 NZ LYS A 48 -0.442 -7.153 -15.139 1.00 0.00 N ATOM 0 H LYS A 48 -2.204 -9.374 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.069 -11.556 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.540 -8.928 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.421 -10.033 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.824 -9.685 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.960 -8.598 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.685 -7.314 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.301 -7.070 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.022 -8.773 -13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.406 -9.022 -14.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.186 -7.515 -15.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.270 -6.698 -15.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.071 -6.457 -14.562 1.00 0.00 H new ATOM 759 N LYS A 49 0.028 -11.311 -8.876 1.00 0.00 N ATOM 760 CA LYS A 49 1.205 -11.923 -8.265 1.00 0.00 C ATOM 761 C LYS A 49 0.830 -12.777 -7.058 1.00 0.00 C ATOM 762 O LYS A 49 1.644 -12.987 -6.161 1.00 0.00 O ATOM 763 CB LYS A 49 2.212 -10.847 -7.850 1.00 0.00 C ATOM 764 CG LYS A 49 2.702 -9.997 -9.010 1.00 0.00 C ATOM 765 CD LYS A 49 3.393 -10.843 -10.067 1.00 0.00 C ATOM 766 CE LYS A 49 3.884 -9.993 -11.229 1.00 0.00 C ATOM 767 NZ LYS A 49 2.767 -9.273 -11.901 1.00 0.00 N ATOM 0 H LYS A 49 -0.532 -10.739 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 49 1.661 -12.574 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.753 -10.199 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.068 -11.326 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.859 -9.470 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.392 -9.239 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.235 -11.370 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.702 -11.601 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.616 -9.271 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.394 -10.628 -11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.094 -8.901 -12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.975 -9.929 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.450 -8.485 -11.300 1.00 0.00 H new ATOM 781 N TYR A 50 -0.400 -13.273 -7.057 1.00 0.00 N ATOM 782 CA TYR A 50 -0.893 -14.118 -5.969 1.00 0.00 C ATOM 783 C TYR A 50 -2.144 -14.880 -6.393 1.00 0.00 C ATOM 784 O TYR A 50 -2.313 -16.040 -6.026 1.00 0.00 O ATOM 785 CB TYR A 50 -1.190 -13.286 -4.717 1.00 0.00 C ATOM 786 CG TYR A 50 0.047 -12.725 -4.051 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.055 -13.567 -3.600 1.00 0.00 C ATOM 788 CD2 TYR A 50 0.207 -11.356 -3.880 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.190 -13.059 -2.996 1.00 0.00 C ATOM 790 CE2 TYR A 50 1.339 -10.842 -3.277 1.00 0.00 C ATOM 791 CZ TYR A 50 2.327 -11.697 -2.837 1.00 0.00 C ATOM 792 OH TYR A 50 3.456 -11.187 -2.238 1.00 0.00 O ATOM 0 H TYR A 50 -1.080 -13.106 -7.799 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.109 -14.837 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.851 -12.463 -4.987 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.729 -13.905 -4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.951 -14.635 -3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.565 -10.683 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.966 -13.726 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.449 -9.775 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 50 3.395 -10.209 -2.204 1.00 0.00 H new ATOM 802 N ASN A 51 -3.010 -14.201 -7.160 1.00 0.00 N ATOM 803 CA ASN A 51 -4.274 -14.760 -7.666 1.00 0.00 C ATOM 804 C ASN A 51 -5.455 -13.971 -7.117 1.00 0.00 C ATOM 805 O ASN A 51 -5.426 -13.509 -5.977 1.00 0.00 O ATOM 806 CB ASN A 51 -4.452 -16.250 -7.334 1.00 0.00 C ATOM 807 CG ASN A 51 -3.459 -17.163 -8.049 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.498 -18.382 -7.876 1.00 0.00 O ATOM 809 ND2 ASN A 51 -2.565 -16.591 -8.855 1.00 0.00 N ATOM 0 H ASN A 51 -2.851 -13.236 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.236 -14.676 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.348 -16.388 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.465 -16.553 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.885 -17.166 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.561 -15.578 -8.975 1.00 0.00 H new ATOM 816 N PRO A 52 -6.511 -13.798 -7.925 1.00 0.00 N ATOM 817 CA PRO A 52 -7.700 -13.053 -7.512 1.00 0.00 C ATOM 818 C PRO A 52 -8.377 -13.673 -6.282 1.00 0.00 C ATOM 819 O PRO A 52 -8.492 -14.896 -6.187 1.00 0.00 O ATOM 820 CB PRO A 52 -8.629 -13.132 -8.732 1.00 0.00 C ATOM 821 CG PRO A 52 -8.110 -14.268 -9.547 1.00 0.00 C ATOM 822 CD PRO A 52 -6.630 -14.310 -9.300 1.00 0.00 C ATOM 0 HA PRO A 52 -7.453 -12.032 -7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.662 -13.304 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.614 -12.201 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.582 -15.206 -9.254 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.325 -14.120 -10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.234 -15.322 -9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.084 -13.690 -10.011 1.00 0.00 H new ATOM 830 N THR A 53 -8.824 -12.831 -5.345 1.00 0.00 N ATOM 831 CA THR A 53 -8.683 -11.393 -5.469 1.00 0.00 C ATOM 832 C THR A 53 -8.483 -10.762 -4.112 1.00 0.00 C ATOM 833 O THR A 53 -8.928 -11.283 -3.091 1.00 0.00 O ATOM 834 CB THR A 53 -9.904 -10.789 -6.139 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.319 -11.574 -7.241 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.661 -9.387 -6.647 1.00 0.00 C ATOM 0 H THR A 53 -9.289 -13.133 -4.489 1.00 0.00 H new ATOM 0 HA THR A 53 -7.808 -11.193 -6.087 1.00 0.00 H new ATOM 0 HB THR A 53 -10.674 -10.761 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.108 -11.166 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.569 -9.007 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.386 -8.741 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.853 -9.400 -7.379 1.00 0.00 H new ATOM 844 N TRP A 54 -7.804 -9.637 -4.115 1.00 0.00 N ATOM 845 CA TRP A 54 -7.526 -8.917 -2.886 1.00 0.00 C ATOM 846 C TRP A 54 -8.376 -7.662 -2.781 1.00 0.00 C ATOM 847 O TRP A 54 -8.879 -7.151 -3.783 1.00 0.00 O ATOM 848 CB TRP A 54 -6.046 -8.567 -2.804 1.00 0.00 C ATOM 849 CG TRP A 54 -5.171 -9.779 -2.820 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.861 -10.560 -3.894 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.527 -10.370 -1.694 1.00 0.00 C ATOM 852 NE1 TRP A 54 -4.035 -11.587 -3.508 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.816 -11.492 -2.157 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.476 -10.046 -0.340 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.060 -12.294 -1.305 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.729 -10.843 0.507 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.027 -11.954 0.021 1.00 0.00 C ATOM 0 H TRP A 54 -7.432 -9.197 -4.956 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.782 -9.565 -2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.782 -7.921 -3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.860 -8.000 -1.892 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.214 -10.395 -4.901 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.648 -12.302 -4.124 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.010 -9.188 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.520 -13.152 -1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.686 -10.606 1.560 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.448 -12.555 0.707 1.00 0.00 H new ATOM 868 N HIS A 55 -8.547 -7.179 -1.557 1.00 0.00 N ATOM 869 CA HIS A 55 -9.354 -5.988 -1.320 1.00 0.00 C ATOM 870 C HIS A 55 -8.564 -4.902 -0.596 1.00 0.00 C ATOM 871 O HIS A 55 -8.929 -4.483 0.504 1.00 0.00 O ATOM 872 CB HIS A 55 -10.604 -6.354 -0.520 1.00 0.00 C ATOM 873 CG HIS A 55 -11.531 -7.278 -1.248 1.00 0.00 C ATOM 874 ND1 HIS A 55 -11.159 -8.534 -1.678 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.823 -7.122 -1.621 1.00 0.00 C ATOM 876 CE1 HIS A 55 -12.181 -9.109 -2.285 1.00 0.00 C ATOM 877 NE2 HIS A 55 -13.203 -8.275 -2.264 1.00 0.00 N ATOM 0 H HIS A 55 -8.140 -7.591 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.648 -5.588 -2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.302 -6.820 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.141 -5.441 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.440 -6.253 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.180 -10.096 -2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -14.125 -8.457 -2.661 1.00 0.00 H new ATOM 886 N CYS A 56 -7.488 -4.440 -1.223 1.00 0.00 N ATOM 887 CA CYS A 56 -6.660 -3.392 -0.641 1.00 0.00 C ATOM 888 C CYS A 56 -7.313 -2.026 -0.817 1.00 0.00 C ATOM 889 O CYS A 56 -7.836 -1.711 -1.886 1.00 0.00 O ATOM 890 CB CYS A 56 -5.268 -3.396 -1.275 1.00 0.00 C ATOM 891 SG CYS A 56 -5.271 -3.115 -3.059 1.00 0.00 S ATOM 0 H CYS A 56 -7.170 -4.774 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.561 -3.592 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.661 -2.627 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.789 -4.353 -1.069 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.318 -2.418 -3.387 1.00 0.00 H new ATOM 897 N ILE A 57 -7.288 -1.224 0.242 1.00 0.00 N ATOM 898 CA ILE A 57 -7.890 0.100 0.212 1.00 0.00 C ATOM 899 C ILE A 57 -6.925 1.159 0.724 1.00 0.00 C ATOM 900 O ILE A 57 -5.933 0.847 1.384 1.00 0.00 O ATOM 901 CB ILE A 57 -9.168 0.145 1.065 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.039 -1.074 0.756 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.930 1.440 0.816 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.420 -1.015 1.372 1.00 0.00 C ATOM 0 H ILE A 57 -6.856 -1.470 1.133 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.137 0.311 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.895 0.117 2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.138 -1.172 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.531 -1.970 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.832 1.455 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.299 2.289 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.205 1.504 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.975 -1.915 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.332 -0.949 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.949 -0.139 0.997 1.00 0.00 H new ATOM 916 N VAL A 58 -7.225 2.416 0.420 1.00 0.00 N ATOM 917 CA VAL A 58 -6.393 3.529 0.852 1.00 0.00 C ATOM 918 C VAL A 58 -7.264 4.676 1.366 1.00 0.00 C ATOM 919 O VAL A 58 -8.212 5.085 0.695 1.00 0.00 O ATOM 920 CB VAL A 58 -5.519 4.053 -0.304 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.514 5.075 0.205 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.818 2.907 -1.021 1.00 0.00 C ATOM 0 H VAL A 58 -8.042 2.689 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.748 3.163 1.651 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.170 4.547 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.906 5.433 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.045 5.914 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.870 4.611 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.208 3.304 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.181 2.372 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.563 2.223 -1.428 1.00 0.00 H new ATOM 932 N GLY A 59 -6.950 5.196 2.553 1.00 0.00 N ATOM 933 CA GLY A 59 -7.739 6.287 3.103 1.00 0.00 C ATOM 934 C GLY A 59 -6.955 7.169 4.059 1.00 0.00 C ATOM 935 O GLY A 59 -5.730 7.111 4.100 1.00 0.00 O ATOM 0 H GLY A 59 -6.173 4.886 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.122 6.898 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.603 5.875 3.624 1.00 0.00 H new ATOM 939 N ARG A 60 -7.664 7.997 4.820 1.00 0.00 N ATOM 940 CA ARG A 60 -7.028 8.901 5.765 1.00 0.00 C ATOM 941 C ARG A 60 -7.186 8.406 7.202 1.00 0.00 C ATOM 942 O ARG A 60 -7.852 9.039 8.020 1.00 0.00 O ATOM 943 CB ARG A 60 -7.626 10.300 5.618 1.00 0.00 C ATOM 944 CG ARG A 60 -6.992 11.326 6.537 1.00 0.00 C ATOM 945 CD ARG A 60 -7.575 12.713 6.316 1.00 0.00 C ATOM 946 NE ARG A 60 -9.013 12.748 6.567 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.759 13.845 6.447 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.207 14.995 6.081 1.00 0.00 N ATOM 949 NH2 ARG A 60 -11.061 13.791 6.695 1.00 0.00 N ATOM 0 H ARG A 60 -8.682 8.059 4.799 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.962 8.936 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.512 10.629 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.696 10.253 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.143 11.028 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.916 11.352 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.075 13.425 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.378 13.030 5.292 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.473 11.883 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.206 15.042 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.784 15.832 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.490 12.910 6.977 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.633 14.631 6.603 1.00 0.00 H new ATOM 963 N SER A 61 -6.563 7.268 7.500 1.00 0.00 N ATOM 964 CA SER A 61 -6.621 6.681 8.837 1.00 0.00 C ATOM 965 C SER A 61 -8.044 6.688 9.385 1.00 0.00 C ATOM 966 O SER A 61 -8.285 7.101 10.520 1.00 0.00 O ATOM 967 CB SER A 61 -5.691 7.436 9.790 1.00 0.00 C ATOM 968 OG SER A 61 -6.057 8.802 9.883 1.00 0.00 O ATOM 0 H SER A 61 -6.010 6.732 6.831 1.00 0.00 H new ATOM 0 HA SER A 61 -6.292 5.645 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.728 6.978 10.778 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.662 7.355 9.440 1.00 0.00 H new ATOM 0 HG SER A 61 -6.958 8.925 9.518 1.00 0.00 H new ATOM 974 N GLY A 62 -8.984 6.232 8.569 1.00 0.00 N ATOM 975 CA GLY A 62 -10.375 6.197 8.983 1.00 0.00 C ATOM 976 C GLY A 62 -10.719 4.989 9.842 1.00 0.00 C ATOM 977 O GLY A 62 -11.884 4.776 10.175 1.00 0.00 O ATOM 0 H GLY A 62 -8.809 5.885 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.604 7.106 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.010 6.197 8.097 1.00 0.00 H new ATOM 981 N ASN A 63 -9.712 4.196 10.201 1.00 0.00 N ATOM 982 CA ASN A 63 -9.932 3.011 11.025 1.00 0.00 C ATOM 983 C ASN A 63 -10.829 2.015 10.295 1.00 0.00 C ATOM 984 O ASN A 63 -11.955 1.745 10.718 1.00 0.00 O ATOM 985 CB ASN A 63 -10.560 3.402 12.367 1.00 0.00 C ATOM 986 CG ASN A 63 -10.732 2.233 13.330 1.00 0.00 C ATOM 987 OD1 ASN A 63 -11.358 2.378 14.378 1.00 0.00 O ATOM 988 ND2 ASN A 63 -10.164 1.072 13.000 1.00 0.00 N ATOM 0 H ASN A 63 -8.740 4.352 9.935 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.968 2.539 11.215 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.939 4.162 12.840 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.534 3.856 12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.242 0.270 13.625 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.652 0.986 12.122 1.00 0.00 H new ATOM 995 N PHE A 64 -10.321 1.480 9.193 1.00 0.00 N ATOM 996 CA PHE A 64 -11.068 0.519 8.386 1.00 0.00 C ATOM 997 C PHE A 64 -10.155 -0.566 7.835 1.00 0.00 C ATOM 998 O PHE A 64 -10.320 -1.013 6.702 1.00 0.00 O ATOM 999 CB PHE A 64 -11.781 1.241 7.240 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.980 2.370 6.656 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.727 2.145 6.102 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -11.475 3.664 6.675 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.989 3.189 5.582 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -10.741 4.709 6.154 1.00 0.00 C ATOM 1005 CZ PHE A 64 -9.496 4.472 5.608 1.00 0.00 C ATOM 0 H PHE A 64 -9.391 1.695 8.835 1.00 0.00 H new ATOM 0 HA PHE A 64 -11.809 0.041 9.027 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -12.009 0.522 6.453 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.733 1.630 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.326 1.143 6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -12.448 3.857 7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.015 3.002 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -11.140 5.712 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.919 5.290 5.202 1.00 0.00 H new ATOM 1015 N GLY A 65 -9.193 -0.993 8.647 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.270 -2.027 8.223 1.00 0.00 C ATOM 1017 C GLY A 65 -8.323 -3.256 9.110 1.00 0.00 C ATOM 1018 O GLY A 65 -8.122 -4.376 8.640 1.00 0.00 O ATOM 0 H GLY A 65 -9.037 -0.640 9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.499 -2.314 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.256 -1.626 8.224 1.00 0.00 H new ATOM 1022 N SER A 66 -8.592 -3.048 10.395 1.00 0.00 N ATOM 1023 CA SER A 66 -8.665 -4.151 11.344 1.00 0.00 C ATOM 1024 C SER A 66 -10.112 -4.488 11.688 1.00 0.00 C ATOM 1025 O SER A 66 -10.403 -4.967 12.783 1.00 0.00 O ATOM 1026 CB SER A 66 -7.890 -3.809 12.618 1.00 0.00 C ATOM 1027 OG SER A 66 -6.525 -3.558 12.335 1.00 0.00 O ATOM 0 H SER A 66 -8.762 -2.128 10.801 1.00 0.00 H new ATOM 0 HA SER A 66 -8.214 -5.026 10.876 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.333 -2.933 13.092 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.972 -4.632 13.328 1.00 0.00 H new ATOM 0 HG SER A 66 -5.997 -3.656 13.155 1.00 0.00 H new ATOM 1033 N TYR A 67 -11.014 -4.237 10.746 1.00 0.00 N ATOM 1034 CA TYR A 67 -12.430 -4.518 10.954 1.00 0.00 C ATOM 1035 C TYR A 67 -13.147 -4.822 9.635 1.00 0.00 C ATOM 1036 O TYR A 67 -14.376 -4.882 9.591 1.00 0.00 O ATOM 1037 CB TYR A 67 -13.104 -3.336 11.653 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.569 -3.564 11.956 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -14.974 -4.611 12.774 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.547 -2.732 11.425 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -16.310 -4.825 13.053 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -16.885 -2.938 11.699 1.00 0.00 C ATOM 1043 CZ TYR A 67 -17.261 -3.984 12.514 1.00 0.00 C ATOM 1044 OH TYR A 67 -18.594 -4.193 12.788 1.00 0.00 O ATOM 0 H TYR A 67 -10.791 -3.841 9.833 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.502 -5.404 11.585 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.577 -3.128 12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.005 -2.450 11.026 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.231 -5.270 13.199 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.256 -1.910 10.787 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.608 -5.645 13.689 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -17.633 -2.283 11.277 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.132 -3.512 12.333 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.382 -5.015 8.564 1.00 0.00 N ATOM 1055 CA VAL A 68 -12.960 -5.309 7.260 1.00 0.00 C ATOM 1056 C VAL A 68 -12.856 -6.797 6.920 1.00 0.00 C ATOM 1057 O VAL A 68 -13.338 -7.241 5.879 1.00 0.00 O ATOM 1058 CB VAL A 68 -12.281 -4.489 6.149 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -12.995 -4.681 4.821 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -12.231 -3.017 6.528 1.00 0.00 C ATOM 0 H VAL A 68 -11.363 -4.973 8.575 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.013 -5.033 7.317 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.258 -4.848 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.497 -4.091 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.970 -5.735 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.031 -4.355 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.748 -2.452 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.245 -2.644 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.665 -2.898 7.452 1.00 0.00 H new ATOM 1070 N THR A 69 -12.238 -7.564 7.810 1.00 0.00 N ATOM 1071 CA THR A 69 -12.084 -8.999 7.616 1.00 0.00 C ATOM 1072 C THR A 69 -13.432 -9.699 7.736 1.00 0.00 C ATOM 1073 O THR A 69 -14.021 -10.124 6.740 1.00 0.00 O ATOM 1074 CB THR A 69 -11.107 -9.556 8.654 1.00 0.00 C ATOM 1075 OG1 THR A 69 -9.869 -8.869 8.594 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.819 -11.025 8.480 1.00 0.00 C ATOM 0 H THR A 69 -11.833 -7.213 8.678 1.00 0.00 H new ATOM 0 HA THR A 69 -11.689 -9.181 6.617 1.00 0.00 H new ATOM 0 HB THR A 69 -11.598 -9.411 9.616 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.271 -9.211 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.120 -11.352 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.747 -11.591 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.382 -11.196 7.496 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.902 -9.811 8.970 1.00 0.00 N ATOM 1085 CA HIS A 70 -15.178 -10.456 9.292 1.00 0.00 C ATOM 1086 C HIS A 70 -15.411 -11.746 8.501 1.00 0.00 C ATOM 1087 O HIS A 70 -16.539 -12.234 8.453 1.00 0.00 O ATOM 1088 CB HIS A 70 -16.354 -9.499 9.069 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.579 -9.121 7.638 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -15.753 -8.264 6.944 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -17.542 -9.501 6.764 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -16.197 -8.130 5.707 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -17.282 -8.870 5.572 1.00 0.00 N ATOM 0 H HIS A 70 -13.407 -9.455 9.788 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.119 -10.722 10.347 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -17.262 -9.961 9.457 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.184 -8.592 9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -18.361 -10.175 6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -15.749 -7.519 4.937 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -17.837 -8.959 4.721 1.00 0.00 H new ATOM 1102 N GLU A 71 -14.350 -12.307 7.903 1.00 0.00 N ATOM 1103 CA GLU A 71 -14.463 -13.562 7.130 1.00 0.00 C ATOM 1104 C GLU A 71 -13.358 -13.723 6.082 1.00 0.00 C ATOM 1105 O GLU A 71 -13.575 -14.350 5.046 1.00 0.00 O ATOM 1106 CB GLU A 71 -15.829 -13.679 6.435 1.00 0.00 C ATOM 1107 CG GLU A 71 -16.203 -12.471 5.586 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.268 -12.262 4.409 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -15.176 -13.170 3.557 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -14.630 -11.191 4.343 1.00 0.00 O ATOM 0 H GLU A 71 -13.408 -11.918 7.937 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.355 -14.361 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.828 -14.567 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.598 -13.829 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.221 -12.594 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.197 -11.578 6.211 1.00 0.00 H new ATOM 1117 N THR A 72 -12.179 -13.181 6.348 1.00 0.00 N ATOM 1118 CA THR A 72 -11.067 -13.300 5.418 1.00 0.00 C ATOM 1119 C THR A 72 -10.204 -14.519 5.788 1.00 0.00 C ATOM 1120 O THR A 72 -10.669 -15.654 5.702 1.00 0.00 O ATOM 1121 CB THR A 72 -10.251 -11.999 5.410 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.091 -10.886 5.160 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.151 -11.972 4.373 1.00 0.00 C ATOM 0 H THR A 72 -11.968 -12.656 7.197 1.00 0.00 H new ATOM 0 HA THR A 72 -11.445 -13.458 4.408 1.00 0.00 H new ATOM 0 HB THR A 72 -9.794 -11.949 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.525 -10.993 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.621 -11.022 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.454 -12.789 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.585 -12.086 3.380 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.964 -14.279 6.218 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.043 -15.346 6.622 1.00 0.00 C ATOM 1133 C LYS A 73 -6.641 -14.775 6.800 1.00 0.00 C ATOM 1134 O LYS A 73 -5.895 -15.177 7.696 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.006 -16.504 5.605 1.00 0.00 C ATOM 1136 CG LYS A 73 -7.341 -16.166 4.274 1.00 0.00 C ATOM 1137 CD LYS A 73 -8.270 -15.420 3.327 1.00 0.00 C ATOM 1138 CE LYS A 73 -9.202 -16.366 2.577 1.00 0.00 C ATOM 1139 NZ LYS A 73 -10.143 -17.079 3.485 1.00 0.00 N ATOM 0 H LYS A 73 -8.569 -13.342 6.296 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.407 -15.751 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.480 -17.347 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.027 -16.832 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.454 -15.560 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.004 -17.086 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.862 -14.700 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.677 -14.852 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.772 -15.800 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.608 -17.097 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.900 -17.520 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.628 -17.814 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.559 -16.401 4.156 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.302 -13.821 5.942 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.006 -13.156 5.976 1.00 0.00 C ATOM 1155 C HIS A 74 -5.164 -11.728 5.478 1.00 0.00 C ATOM 1156 O HIS A 74 -5.637 -11.504 4.364 1.00 0.00 O ATOM 1157 CB HIS A 74 -3.993 -13.908 5.110 1.00 0.00 C ATOM 1158 CG HIS A 74 -3.778 -15.327 5.535 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -3.314 -15.677 6.785 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -3.968 -16.490 4.867 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -3.225 -16.994 6.866 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.617 -17.509 5.717 1.00 0.00 N ATOM 0 H HIS A 74 -6.919 -13.486 5.202 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.635 -13.146 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.333 -13.895 4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.040 -13.380 5.139 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -3.077 -15.023 7.531 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.328 -16.596 3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.888 -17.553 7.727 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.797 -10.758 6.307 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.942 -9.361 5.925 1.00 0.00 C ATOM 1173 C PHE A 75 -3.863 -8.480 6.536 1.00 0.00 C ATOM 1174 O PHE A 75 -3.345 -8.759 7.618 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.320 -8.847 6.343 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.593 -8.974 7.817 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.645 -10.218 8.423 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.799 -7.844 8.594 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.898 -10.335 9.777 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.051 -7.956 9.948 1.00 0.00 C ATOM 1181 CZ PHE A 75 -7.100 -9.203 10.540 1.00 0.00 C ATOM 0 H PHE A 75 -4.402 -10.910 7.235 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.835 -9.310 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.410 -7.800 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.085 -9.395 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.486 -11.107 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.762 -6.867 8.136 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.938 -11.311 10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.210 -7.069 10.543 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.296 -9.292 11.598 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.548 -7.400 5.832 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.551 -6.442 6.288 1.00 0.00 C ATOM 1193 C ILE A 76 -3.146 -5.046 6.373 1.00 0.00 C ATOM 1194 O ILE A 76 -4.160 -4.745 5.742 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.309 -6.422 5.368 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.388 -5.238 5.694 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.727 -6.384 3.907 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.861 -5.190 4.841 1.00 0.00 C ATOM 0 H ILE A 76 -3.973 -7.165 4.935 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.233 -6.760 7.281 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.749 -7.339 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.943 -4.309 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.099 -5.291 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.839 -6.370 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.323 -7.267 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.319 -5.488 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.464 -4.328 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.439 -6.102 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.581 -5.105 3.791 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.505 -4.204 7.162 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.956 -2.830 7.348 1.00 0.00 C ATOM 1212 C TYR A 77 -1.843 -1.980 7.946 1.00 0.00 C ATOM 1213 O TYR A 77 -1.375 -2.242 9.055 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.190 -2.804 8.250 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.824 -1.439 8.389 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.190 -0.704 7.268 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -5.070 -0.892 9.642 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.782 0.539 7.392 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.660 0.351 9.774 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.015 1.061 8.647 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.604 2.297 8.775 1.00 0.00 O ATOM 0 H TYR A 77 -1.666 -4.446 7.689 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.221 -2.413 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.931 -3.498 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.911 -3.166 9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.009 -1.110 6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.796 -1.447 10.527 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.060 1.098 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.842 0.764 10.755 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.698 2.518 9.725 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.413 -0.967 7.202 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.342 -0.090 7.665 1.00 0.00 C ATOM 1233 C PHE A 78 -0.581 1.354 7.240 1.00 0.00 C ATOM 1234 O PHE A 78 -1.368 1.626 6.333 1.00 0.00 O ATOM 1235 CB PHE A 78 1.007 -0.573 7.128 1.00 0.00 C ATOM 1236 CG PHE A 78 1.089 -0.595 5.628 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.253 -1.416 4.886 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.999 0.208 4.960 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.327 -1.435 3.505 1.00 0.00 C ATOM 1240 CE2 PHE A 78 2.076 0.194 3.580 1.00 0.00 C ATOM 1241 CZ PHE A 78 1.239 -0.629 2.852 1.00 0.00 C ATOM 0 H PHE A 78 -1.786 -0.733 6.282 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.332 -0.126 8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.795 0.073 7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.201 -1.576 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.463 -2.047 5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.656 0.853 5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.328 -2.080 2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.790 0.826 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.298 -0.642 1.774 1.00 0.00 H new ATOM 1251 N TYR A 79 0.107 2.276 7.907 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.020 3.697 7.609 1.00 0.00 C ATOM 1253 C TYR A 79 1.170 4.199 6.799 1.00 0.00 C ATOM 1254 O TYR A 79 2.262 3.634 6.861 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.130 4.507 8.905 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.359 4.202 9.740 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.333 3.311 9.303 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -1.542 4.818 10.972 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.450 3.042 10.070 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -2.657 4.552 11.746 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.607 3.664 11.290 1.00 0.00 C ATOM 1262 OH TYR A 79 -4.718 3.399 12.055 1.00 0.00 O ATOM 0 H TYR A 79 0.761 2.062 8.660 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.926 3.830 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.758 4.323 9.509 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.131 5.568 8.655 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.214 2.821 8.348 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.801 5.517 11.331 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.197 2.347 9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.782 5.038 12.702 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.675 3.918 12.885 1.00 0.00 H new ATOM 1272 N LEU A 80 0.947 5.276 6.057 1.00 0.00 N ATOM 1273 CA LEU A 80 1.984 5.891 5.241 1.00 0.00 C ATOM 1274 C LEU A 80 1.985 7.395 5.477 1.00 0.00 C ATOM 1275 O LEU A 80 1.378 8.154 4.720 1.00 0.00 O ATOM 1276 CB LEU A 80 1.759 5.595 3.754 1.00 0.00 C ATOM 1277 CG LEU A 80 1.801 4.114 3.364 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.638 3.357 3.990 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.784 3.964 1.850 1.00 0.00 C ATOM 0 H LEU A 80 0.044 5.747 6.004 1.00 0.00 H new ATOM 0 HA LEU A 80 2.949 5.472 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.791 6.002 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.516 6.127 3.177 1.00 0.00 H new ATOM 0 HG LEU A 80 2.728 3.686 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.688 2.308 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.695 3.436 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.303 3.785 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.814 2.906 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.874 4.411 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.652 4.468 1.425 1.00 0.00 H new ATOM 1291 N GLY A 81 2.646 7.816 6.549 1.00 0.00 N ATOM 1292 CA GLY A 81 2.688 9.226 6.883 1.00 0.00 C ATOM 1293 C GLY A 81 1.373 9.696 7.473 1.00 0.00 C ATOM 1294 O GLY A 81 1.259 9.885 8.685 1.00 0.00 O ATOM 0 H GLY A 81 3.153 7.207 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.493 9.409 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.915 9.806 5.989 1.00 0.00 H new ATOM 1298 N GLN A 82 0.376 9.871 6.614 1.00 0.00 N ATOM 1299 CA GLN A 82 -0.946 10.307 7.050 1.00 0.00 C ATOM 1300 C GLN A 82 -2.051 9.444 6.441 1.00 0.00 C ATOM 1301 O GLN A 82 -3.218 9.571 6.809 1.00 0.00 O ATOM 1302 CB GLN A 82 -1.181 11.770 6.675 1.00 0.00 C ATOM 1303 CG GLN A 82 -0.179 12.730 7.299 1.00 0.00 C ATOM 1304 CD GLN A 82 -0.200 12.690 8.813 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -1.225 12.960 9.440 1.00 0.00 O ATOM 1306 NE2 GLN A 82 0.937 12.353 9.412 1.00 0.00 N ATOM 0 H GLN A 82 0.458 9.717 5.609 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.980 10.199 8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.139 11.869 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.186 12.058 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.823 12.484 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.395 13.744 6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.763 12.137 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.984 12.310 10.430 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.685 8.571 5.503 1.00 0.00 N ATOM 1316 CA VAL A 83 -2.658 7.706 4.850 1.00 0.00 C ATOM 1317 C VAL A 83 -2.686 6.334 5.510 1.00 0.00 C ATOM 1318 O VAL A 83 -1.698 5.895 6.095 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.337 7.526 3.351 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.530 6.961 2.598 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -1.880 8.838 2.731 1.00 0.00 C ATOM 0 H VAL A 83 -0.725 8.447 5.182 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.631 8.187 4.951 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.520 6.809 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.274 6.845 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.797 5.990 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.376 7.642 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.660 8.684 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.669 9.583 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.983 9.188 3.241 1.00 0.00 H new ATOM 1331 N ALA A 84 -3.817 5.659 5.400 1.00 0.00 N ATOM 1332 CA ALA A 84 -3.975 4.331 5.966 1.00 0.00 C ATOM 1333 C ALA A 84 -4.355 3.345 4.872 1.00 0.00 C ATOM 1334 O ALA A 84 -5.436 3.439 4.292 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.025 4.342 7.067 1.00 0.00 C ATOM 0 H ALA A 84 -4.645 6.012 4.920 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.027 4.019 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.130 3.339 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.718 5.028 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.981 4.667 6.655 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.460 2.411 4.580 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.714 1.430 3.537 1.00 0.00 C ATOM 1343 C ILE A 85 -3.970 0.049 4.104 1.00 0.00 C ATOM 1344 O ILE A 85 -3.297 -0.400 5.034 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.557 1.369 2.516 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.723 2.493 1.503 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.507 0.018 1.811 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.654 2.511 0.431 1.00 0.00 C ATOM 0 H ILE A 85 -2.559 2.313 5.047 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.616 1.761 3.023 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.614 1.493 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.700 2.400 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.714 3.448 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.681 0.009 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.359 -0.772 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.444 -0.151 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.839 3.339 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.676 2.635 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.677 1.572 -0.121 1.00 0.00 H new ATOM 1360 N LEU A 86 -4.943 -0.623 3.513 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.299 -1.971 3.927 1.00 0.00 C ATOM 1362 C LEU A 86 -5.252 -2.907 2.727 1.00 0.00 C ATOM 1363 O LEU A 86 -5.189 -2.457 1.583 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.692 -1.985 4.565 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.856 -1.768 3.599 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -8.188 -3.059 2.864 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -9.075 -1.242 4.338 1.00 0.00 C ATOM 0 H LEU A 86 -5.502 -0.257 2.743 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.581 -2.315 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.833 -2.941 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.730 -1.212 5.333 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.556 -1.022 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.019 -2.885 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.317 -3.390 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.466 -3.827 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.893 -1.094 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.378 -1.962 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.830 -0.292 4.814 1.00 0.00 H new ATOM 1379 N LEU A 87 -5.277 -4.206 2.988 1.00 0.00 N ATOM 1380 CA LEU A 87 -5.232 -5.199 1.921 1.00 0.00 C ATOM 1381 C LEU A 87 -5.509 -6.587 2.480 1.00 0.00 C ATOM 1382 O LEU A 87 -4.919 -6.987 3.481 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.870 -5.149 1.221 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.642 -6.206 0.137 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.532 -5.763 -0.802 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.286 -7.546 0.765 1.00 0.00 C ATOM 0 H LEU A 87 -5.328 -4.598 3.928 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.005 -4.972 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.748 -4.163 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.090 -5.254 1.975 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.565 -6.321 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.379 -6.523 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.810 -4.821 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.610 -5.627 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.127 -8.285 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.375 -7.441 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.100 -7.873 1.412 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.413 -7.318 1.837 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.757 -8.657 2.299 1.00 0.00 C ATOM 1400 C PHE A 88 -7.427 -9.484 1.201 1.00 0.00 C ATOM 1401 O PHE A 88 -7.950 -8.942 0.228 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.687 -8.565 3.508 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.985 -7.866 3.218 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.002 -6.521 2.884 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -10.186 -8.554 3.276 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.194 -5.876 2.613 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.380 -7.914 3.007 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.384 -6.573 2.676 1.00 0.00 C ATOM 0 H PHE A 88 -6.915 -7.011 1.004 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.830 -9.158 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.899 -9.571 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.173 -8.039 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.074 -5.971 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.189 -9.603 3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.194 -4.828 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.310 -8.462 3.055 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.317 -6.070 2.467 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.420 -10.801 1.386 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.032 -11.729 0.444 1.00 0.00 C ATOM 1420 C LYS A 89 -9.255 -12.383 1.080 1.00 0.00 C ATOM 1421 O LYS A 89 -9.128 -13.236 1.956 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.003 -12.791 0.015 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.600 -14.124 -0.421 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.312 -14.017 -1.754 1.00 0.00 C ATOM 1425 CE LYS A 89 -7.333 -14.092 -2.918 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.491 -12.874 -3.025 1.00 0.00 N ATOM 0 H LYS A 89 -6.990 -11.253 2.193 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.356 -11.185 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.409 -12.390 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.320 -12.970 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.809 -14.870 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.301 -14.473 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.045 -14.819 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.862 -13.077 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.692 -14.965 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.886 -14.231 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.320 -12.657 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.980 -12.073 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.582 -13.037 -2.547 1.00 0.00 H new ATOM 1440 N SER A 90 -10.438 -11.976 0.635 1.00 0.00 N ATOM 1441 CA SER A 90 -11.681 -12.524 1.166 1.00 0.00 C ATOM 1442 C SER A 90 -12.151 -13.709 0.329 1.00 0.00 C ATOM 1443 O SER A 90 -13.347 -13.984 0.239 1.00 0.00 O ATOM 1444 CB SER A 90 -12.766 -11.447 1.203 1.00 0.00 C ATOM 1445 OG SER A 90 -13.982 -11.964 1.716 1.00 0.00 O ATOM 0 H SER A 90 -10.563 -11.270 -0.091 1.00 0.00 H new ATOM 0 HA SER A 90 -11.492 -12.870 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.433 -10.612 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.929 -11.056 0.199 1.00 0.00 H new ATOM 0 HG SER A 90 -14.181 -12.822 1.285 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.200 -14.406 -0.282 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.532 -15.554 -1.105 1.00 0.00 C ATOM 1453 C GLY A 91 -12.026 -15.157 -2.483 1.00 0.00 C ATOM 1454 O GLY A 91 -12.292 -16.062 -3.301 1.00 0.00 O ATOM 1455 OXT GLY A 91 -12.145 -13.941 -2.743 1.00 0.00 O ATOM 0 H GLY A 91 -10.204 -14.196 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.653 -16.190 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.298 -16.146 -0.605 1.00 0.00 H new TER 1459 GLY A 91