USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 899 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 95 GLN : amide:sc= -1.64 K(o=-5.5,f=-3.8) USER MOD Set 1.2: A 114 GLN : amide:sc= -3.9 K(o=-5.5,f=-3.6) USER MOD Set 2.1: A 25 GLN : amide:sc= -1.02 K(o=-1.9,f=-1.4!) USER MOD Set 2.2: A 80 SER OG : rot -26:sc= -0.92 USER MOD Single : A 1 MET CE :methyl 148:sc= -0.684 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.611 (180deg=-0.628) USER MOD Single : A 9 ASN : amide:sc= -2.96 K(o=-3,f=-7.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 41:sc= 1.17 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0857 (180deg=-0.58) USER MOD Single : A 31 THR OG1 : rot 2:sc= 0.801 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 35 MET CE :methyl 145:sc= -0.0158 (180deg=-1.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 42 SER OG : rot 175:sc= -0.144 USER MOD Single : A 46 MET CE :methyl -119:sc= -0.0241 (180deg=-0.395) USER MOD Single : A 50 MET CE :methyl 175:sc= -2.19 (180deg=-2.37!) USER MOD Single : A 51 TYR OH : rot -66:sc= 0.47 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.1!) USER MOD Single : A 89 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.017) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -110:sc= -1.74 USER MOD Single : A 101 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.64) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 100:sc= -2.11 USER MOD Single : A 110 SER OG : rot 176:sc= -0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.719 0.639 18.911 1.00 0.00 N ATOM 2 CA MET A 1 3.767 0.248 17.920 1.00 0.00 C ATOM 3 C MET A 1 3.417 -1.124 17.303 1.00 0.00 C ATOM 4 O MET A 1 4.307 -1.943 17.030 1.00 0.00 O ATOM 5 CB MET A 1 5.137 0.188 18.627 1.00 0.00 C ATOM 6 CG MET A 1 5.521 1.576 19.169 1.00 0.00 C ATOM 7 SD MET A 1 5.706 2.754 17.794 1.00 0.00 S ATOM 8 CE MET A 1 4.097 3.572 17.949 1.00 0.00 C ATOM 0 H1 MET A 1 2.941 1.578 19.299 1.00 0.00 H new ATOM 0 H2 MET A 1 1.791 0.668 18.442 1.00 0.00 H new ATOM 0 H3 MET A 1 2.694 -0.057 19.683 1.00 0.00 H new ATOM 0 HA MET A 1 3.811 0.986 17.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.100 -0.532 19.445 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.899 -0.161 17.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.756 1.929 19.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.453 1.511 19.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.189 4.615 17.646 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.371 3.071 17.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.762 3.523 18.985 1.00 0.00 H new ATOM 20 N ASP A 2 2.115 -1.357 17.072 1.00 0.00 N ATOM 21 CA ASP A 2 1.648 -2.614 16.480 1.00 0.00 C ATOM 22 C ASP A 2 2.235 -2.807 15.086 1.00 0.00 C ATOM 23 O ASP A 2 2.681 -3.904 14.735 1.00 0.00 O ATOM 24 CB ASP A 2 0.109 -2.628 16.410 1.00 0.00 C ATOM 25 CG ASP A 2 -0.427 -3.986 15.894 1.00 0.00 C ATOM 26 OD1 ASP A 2 0.356 -4.774 15.370 1.00 0.00 O ATOM 27 OD2 ASP A 2 -1.618 -4.211 16.033 1.00 0.00 O ATOM 0 H ASP A 2 1.372 -0.692 17.286 1.00 0.00 H new ATOM 0 HA ASP A 2 1.984 -3.436 17.113 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.302 -2.426 17.399 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.233 -1.828 15.753 1.00 0.00 H new ATOM 32 N PHE A 3 2.233 -1.728 14.294 1.00 0.00 N ATOM 33 CA PHE A 3 2.770 -1.766 12.924 1.00 0.00 C ATOM 34 C PHE A 3 3.823 -0.683 12.728 1.00 0.00 C ATOM 35 O PHE A 3 3.733 0.390 13.333 1.00 0.00 O ATOM 36 CB PHE A 3 1.642 -1.576 11.902 1.00 0.00 C ATOM 37 CG PHE A 3 0.658 -2.718 12.004 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.473 -2.598 12.821 1.00 0.00 C ATOM 39 CD2 PHE A 3 0.876 -3.897 11.280 1.00 0.00 C ATOM 40 CE1 PHE A 3 -1.386 -3.655 12.914 1.00 0.00 C ATOM 41 CE2 PHE A 3 -0.037 -4.954 11.373 1.00 0.00 C ATOM 42 CZ PHE A 3 -1.168 -4.833 12.190 1.00 0.00 C ATOM 0 H PHE A 3 1.867 -0.819 14.575 1.00 0.00 H new ATOM 0 HA PHE A 3 3.233 -2.741 12.770 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.133 -0.629 12.081 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.056 -1.530 10.895 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.641 -1.689 13.380 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.748 -3.991 10.650 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.258 -3.562 13.544 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.131 -5.863 10.815 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.872 -5.649 12.261 1.00 0.00 H new ATOM 52 N ARG A 4 4.833 -0.972 11.884 1.00 0.00 N ATOM 53 CA ARG A 4 5.906 -0.009 11.630 1.00 0.00 C ATOM 54 C ARG A 4 6.386 -0.044 10.178 1.00 0.00 C ATOM 55 O ARG A 4 6.523 -1.110 9.574 1.00 0.00 O ATOM 56 CB ARG A 4 7.086 -0.244 12.592 1.00 0.00 C ATOM 57 CG ARG A 4 8.030 0.993 12.607 1.00 0.00 C ATOM 58 CD ARG A 4 9.184 0.807 11.607 1.00 0.00 C ATOM 59 NE ARG A 4 9.929 2.071 11.444 1.00 0.00 N ATOM 60 CZ ARG A 4 10.919 2.465 12.286 1.00 0.00 C ATOM 61 NH1 ARG A 4 11.274 1.726 13.319 1.00 0.00 N ATOM 62 NH2 ARG A 4 11.529 3.599 12.070 1.00 0.00 N ATOM 0 H ARG A 4 4.922 -1.852 11.377 1.00 0.00 H new ATOM 0 HA ARG A 4 5.493 0.983 11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.711 -0.435 13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.642 -1.130 12.286 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.465 1.891 12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.431 1.139 13.610 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.856 0.024 11.958 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.791 0.482 10.644 1.00 0.00 H new ATOM 0 HE ARG A 4 9.688 2.678 10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.802 0.840 13.498 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.020 2.041 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.261 4.179 11.275 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.274 3.905 12.696 1.00 0.00 H new ATOM 76 N VAL A 5 6.642 1.146 9.643 1.00 0.00 N ATOM 77 CA VAL A 5 7.115 1.328 8.270 1.00 0.00 C ATOM 78 C VAL A 5 8.365 2.219 8.283 1.00 0.00 C ATOM 79 O VAL A 5 8.443 3.168 9.071 1.00 0.00 O ATOM 80 CB VAL A 5 6.000 1.969 7.403 1.00 0.00 C ATOM 81 CG1 VAL A 5 6.481 2.174 5.951 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.769 1.056 7.397 1.00 0.00 C ATOM 0 H VAL A 5 6.526 2.021 10.154 1.00 0.00 H new ATOM 0 HA VAL A 5 7.369 0.360 7.838 1.00 0.00 H new ATOM 0 HB VAL A 5 5.748 2.940 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.681 2.625 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.351 2.831 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.751 1.211 5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.985 1.506 6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.038 0.085 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.407 0.927 8.417 1.00 0.00 H new ATOM 92 N VAL A 6 9.331 1.922 7.395 1.00 0.00 N ATOM 93 CA VAL A 6 10.560 2.723 7.308 1.00 0.00 C ATOM 94 C VAL A 6 10.533 3.556 6.029 1.00 0.00 C ATOM 95 O VAL A 6 10.401 3.013 4.918 1.00 0.00 O ATOM 96 CB VAL A 6 11.822 1.816 7.342 1.00 0.00 C ATOM 97 CG1 VAL A 6 13.101 2.674 7.295 1.00 0.00 C ATOM 98 CG2 VAL A 6 11.827 0.977 8.629 1.00 0.00 C ATOM 0 H VAL A 6 9.284 1.144 6.737 1.00 0.00 H new ATOM 0 HA VAL A 6 10.608 3.387 8.171 1.00 0.00 H new ATOM 0 HB VAL A 6 11.798 1.158 6.473 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.976 2.024 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.111 3.262 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.122 3.343 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.714 0.343 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.836 1.639 9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.934 0.352 8.660 1.00 0.00 H new ATOM 108 N GLY A 7 10.612 4.877 6.206 1.00 0.00 N ATOM 109 CA GLY A 7 10.561 5.818 5.095 1.00 0.00 C ATOM 110 C GLY A 7 11.964 6.338 4.738 1.00 0.00 C ATOM 111 O GLY A 7 12.470 6.015 3.664 1.00 0.00 O ATOM 0 H GLY A 7 10.713 5.318 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.118 5.333 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.915 6.657 5.355 1.00 0.00 H new ATOM 115 N PRO A 8 12.614 7.153 5.613 1.00 0.00 N ATOM 116 CA PRO A 8 13.976 7.694 5.324 1.00 0.00 C ATOM 117 C PRO A 8 14.932 6.575 4.946 1.00 0.00 C ATOM 118 O PRO A 8 15.497 5.900 5.814 1.00 0.00 O ATOM 119 CB PRO A 8 14.407 8.380 6.640 1.00 0.00 C ATOM 120 CG PRO A 8 13.425 7.927 7.673 1.00 0.00 C ATOM 121 CD PRO A 8 12.133 7.631 6.932 1.00 0.00 C ATOM 0 HA PRO A 8 13.980 8.386 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.423 8.097 6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.395 9.465 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.788 7.040 8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.272 8.698 8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.537 6.875 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.508 8.519 6.837 1.00 0.00 H new ATOM 129 N ASN A 9 15.069 6.360 3.639 1.00 0.00 N ATOM 130 CA ASN A 9 15.907 5.300 3.109 1.00 0.00 C ATOM 131 C ASN A 9 16.712 5.804 1.894 1.00 0.00 C ATOM 132 O ASN A 9 16.835 7.017 1.689 1.00 0.00 O ATOM 133 CB ASN A 9 15.042 4.056 2.769 1.00 0.00 C ATOM 134 CG ASN A 9 13.907 4.423 1.815 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.119 5.155 0.848 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.701 3.944 2.033 1.00 0.00 N ATOM 0 H ASN A 9 14.601 6.917 2.924 1.00 0.00 H new ATOM 0 HA ASN A 9 16.630 4.998 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.667 3.286 2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.630 3.634 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.937 4.179 1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.530 3.338 2.835 1.00 0.00 H new ATOM 143 N LEU A 10 17.304 4.877 1.138 1.00 0.00 N ATOM 144 CA LEU A 10 18.155 5.223 -0.003 1.00 0.00 C ATOM 145 C LEU A 10 17.358 6.065 -1.029 1.00 0.00 C ATOM 146 O LEU A 10 16.251 5.669 -1.407 1.00 0.00 O ATOM 147 CB LEU A 10 18.670 3.937 -0.679 1.00 0.00 C ATOM 148 CG LEU A 10 19.741 4.265 -1.740 1.00 0.00 C ATOM 149 CD1 LEU A 10 21.053 4.704 -1.064 1.00 0.00 C ATOM 150 CD2 LEU A 10 20.005 3.020 -2.593 1.00 0.00 C ATOM 0 H LEU A 10 17.209 3.874 1.297 1.00 0.00 H new ATOM 0 HA LEU A 10 19.002 5.808 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.090 3.269 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 10 17.839 3.409 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 10 19.378 5.079 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 10 21.797 4.931 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.871 5.592 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.421 3.900 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.761 3.247 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.359 2.210 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.083 2.715 -3.087 1.00 0.00 H new ATOM 162 N PRO A 11 17.877 7.239 -1.480 1.00 0.00 N ATOM 163 CA PRO A 11 17.138 8.105 -2.448 1.00 0.00 C ATOM 164 C PRO A 11 17.098 7.505 -3.849 1.00 0.00 C ATOM 165 O PRO A 11 18.050 6.845 -4.278 1.00 0.00 O ATOM 166 CB PRO A 11 17.926 9.414 -2.438 1.00 0.00 C ATOM 167 CG PRO A 11 19.319 9.012 -2.103 1.00 0.00 C ATOM 168 CD PRO A 11 19.194 7.849 -1.125 1.00 0.00 C ATOM 0 HA PRO A 11 16.092 8.229 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.879 9.912 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.527 10.111 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.865 8.713 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.868 9.841 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.011 7.137 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 11 19.213 8.190 -0.090 1.00 0.00 H new ATOM 176 N ILE A 12 15.995 7.765 -4.571 1.00 0.00 N ATOM 177 CA ILE A 12 15.841 7.273 -5.945 1.00 0.00 C ATOM 178 C ILE A 12 15.733 8.464 -6.901 1.00 0.00 C ATOM 179 O ILE A 12 14.907 9.359 -6.694 1.00 0.00 O ATOM 180 CB ILE A 12 14.587 6.363 -6.057 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.741 5.167 -5.082 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.457 5.826 -7.502 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.415 4.391 -4.953 1.00 0.00 C ATOM 0 H ILE A 12 15.204 8.309 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 12 16.713 6.678 -6.216 1.00 0.00 H new ATOM 0 HB ILE A 12 13.697 6.939 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.525 4.499 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.053 5.529 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.576 5.188 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.358 6.663 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.345 5.248 -7.757 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.547 3.557 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.640 5.056 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.119 4.011 -5.931 1.00 0.00 H new ATOM 195 N LEU A 13 16.602 8.486 -7.926 1.00 0.00 N ATOM 196 CA LEU A 13 16.629 9.591 -8.883 1.00 0.00 C ATOM 197 C LEU A 13 16.337 9.112 -10.303 1.00 0.00 C ATOM 198 O LEU A 13 17.165 8.449 -10.934 1.00 0.00 O ATOM 199 CB LEU A 13 18.000 10.294 -8.838 1.00 0.00 C ATOM 200 CG LEU A 13 17.867 11.751 -9.323 1.00 0.00 C ATOM 201 CD1 LEU A 13 19.109 12.548 -8.906 1.00 0.00 C ATOM 202 CD2 LEU A 13 17.732 11.779 -10.852 1.00 0.00 C ATOM 0 H LEU A 13 17.288 7.754 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 13 15.848 10.296 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.393 10.276 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.713 9.758 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 13 16.980 12.198 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.013 13.578 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.202 12.535 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.996 12.098 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.638 12.811 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.616 11.328 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.846 11.218 -11.149 1.00 0.00 H new ATOM 214 N ALA A 14 15.164 9.500 -10.806 1.00 0.00 N ATOM 215 CA ALA A 14 14.746 9.175 -12.165 1.00 0.00 C ATOM 216 C ALA A 14 14.609 10.464 -12.979 1.00 0.00 C ATOM 217 O ALA A 14 14.858 11.551 -12.460 1.00 0.00 O ATOM 218 CB ALA A 14 13.408 8.426 -12.138 1.00 0.00 C ATOM 0 H ALA A 14 14.481 10.047 -10.282 1.00 0.00 H new ATOM 0 HA ALA A 14 15.496 8.535 -12.629 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.104 8.188 -13.157 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.519 7.504 -11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.649 9.053 -11.670 1.00 0.00 H new ATOM 224 N LYS A 15 14.193 10.337 -14.241 1.00 0.00 N ATOM 225 CA LYS A 15 13.994 11.499 -15.113 1.00 0.00 C ATOM 226 C LYS A 15 12.546 11.568 -15.570 1.00 0.00 C ATOM 227 O LYS A 15 11.926 10.531 -15.833 1.00 0.00 O ATOM 228 CB LYS A 15 14.924 11.423 -16.323 1.00 0.00 C ATOM 229 CG LYS A 15 16.376 11.534 -15.856 1.00 0.00 C ATOM 230 CD LYS A 15 17.312 11.461 -17.066 1.00 0.00 C ATOM 231 CE LYS A 15 18.763 11.573 -16.596 1.00 0.00 C ATOM 232 NZ LYS A 15 19.675 11.491 -17.772 1.00 0.00 N ATOM 0 H LYS A 15 13.987 9.441 -14.683 1.00 0.00 H new ATOM 0 HA LYS A 15 14.230 12.401 -14.549 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.772 10.483 -16.854 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.693 12.226 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.526 12.473 -15.323 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.606 10.730 -15.157 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.163 10.522 -17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.082 12.264 -17.766 1.00 0.00 H new ATOM 0 HE2 LYS A 15 18.914 12.516 -16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.990 10.774 -15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.662 11.567 -17.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.537 10.581 -18.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.464 12.268 -18.430 1.00 0.00 H new ATOM 246 N VAL A 16 11.997 12.791 -15.635 1.00 0.00 N ATOM 247 CA VAL A 16 10.598 12.973 -16.032 1.00 0.00 C ATOM 248 C VAL A 16 10.373 12.469 -17.457 1.00 0.00 C ATOM 249 O VAL A 16 11.255 12.580 -18.313 1.00 0.00 O ATOM 250 CB VAL A 16 10.161 14.444 -15.897 1.00 0.00 C ATOM 251 CG1 VAL A 16 10.279 14.883 -14.437 1.00 0.00 C ATOM 252 CG2 VAL A 16 11.039 15.345 -16.769 1.00 0.00 C ATOM 0 H VAL A 16 12.494 13.655 -15.421 1.00 0.00 H new ATOM 0 HA VAL A 16 9.981 12.382 -15.355 1.00 0.00 H new ATOM 0 HB VAL A 16 9.126 14.532 -16.227 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.969 15.924 -14.344 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.638 14.257 -13.816 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.314 14.781 -14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.717 16.381 -16.662 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.079 15.254 -16.455 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.948 15.043 -17.812 1.00 0.00 H new ATOM 262 N GLY A 17 9.205 11.871 -17.679 1.00 0.00 N ATOM 263 CA GLY A 17 8.860 11.278 -18.978 1.00 0.00 C ATOM 264 C GLY A 17 9.149 9.766 -18.979 1.00 0.00 C ATOM 265 O GLY A 17 8.502 9.001 -19.698 1.00 0.00 O ATOM 0 H GLY A 17 8.474 11.782 -16.974 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.806 11.452 -19.195 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.432 11.763 -19.769 1.00 0.00 H new ATOM 269 N GLU A 18 10.074 9.346 -18.103 1.00 0.00 N ATOM 270 CA GLU A 18 10.404 7.940 -17.919 1.00 0.00 C ATOM 271 C GLU A 18 9.684 7.414 -16.685 1.00 0.00 C ATOM 272 O GLU A 18 9.168 8.201 -15.890 1.00 0.00 O ATOM 273 CB GLU A 18 11.918 7.765 -17.755 1.00 0.00 C ATOM 274 CG GLU A 18 12.633 8.137 -19.075 1.00 0.00 C ATOM 275 CD GLU A 18 12.780 9.669 -19.232 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.508 10.395 -18.280 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.167 10.089 -20.309 1.00 0.00 O ATOM 0 H GLU A 18 10.609 9.977 -17.507 1.00 0.00 H new ATOM 0 HA GLU A 18 10.084 7.378 -18.797 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.281 8.396 -16.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.147 6.734 -17.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.619 7.672 -19.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.071 7.737 -19.919 1.00 0.00 H new ATOM 284 N ASP A 19 9.649 6.090 -16.521 1.00 0.00 N ATOM 285 CA ASP A 19 8.987 5.490 -15.359 1.00 0.00 C ATOM 286 C ASP A 19 9.858 5.628 -14.104 1.00 0.00 C ATOM 287 O ASP A 19 11.072 5.831 -14.197 1.00 0.00 O ATOM 288 CB ASP A 19 8.652 4.012 -15.638 1.00 0.00 C ATOM 289 CG ASP A 19 9.923 3.182 -15.934 1.00 0.00 C ATOM 290 OD1 ASP A 19 11.024 3.681 -15.715 1.00 0.00 O ATOM 291 OD2 ASP A 19 9.770 2.054 -16.378 1.00 0.00 O ATOM 0 H ASP A 19 10.065 5.420 -17.168 1.00 0.00 H new ATOM 0 HA ASP A 19 8.054 6.025 -15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.133 3.588 -14.778 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.970 3.947 -16.486 1.00 0.00 H new ATOM 296 N ALA A 20 9.215 5.549 -12.932 1.00 0.00 N ATOM 297 CA ALA A 20 9.903 5.701 -11.643 1.00 0.00 C ATOM 298 C ALA A 20 9.357 4.703 -10.631 1.00 0.00 C ATOM 299 O ALA A 20 8.284 4.129 -10.839 1.00 0.00 O ATOM 300 CB ALA A 20 9.723 7.124 -11.113 1.00 0.00 C ATOM 0 H ALA A 20 8.213 5.380 -12.850 1.00 0.00 H new ATOM 0 HA ALA A 20 10.965 5.508 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.237 7.224 -10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.142 7.834 -11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.661 7.330 -10.977 1.00 0.00 H new ATOM 306 N LEU A 21 10.117 4.468 -9.550 1.00 0.00 N ATOM 307 CA LEU A 21 9.708 3.491 -8.523 1.00 0.00 C ATOM 308 C LEU A 21 9.549 4.151 -7.149 1.00 0.00 C ATOM 309 O LEU A 21 10.491 4.745 -6.627 1.00 0.00 O ATOM 310 CB LEU A 21 10.752 2.349 -8.429 1.00 0.00 C ATOM 311 CG LEU A 21 10.387 1.190 -9.380 1.00 0.00 C ATOM 312 CD1 LEU A 21 10.694 1.590 -10.826 1.00 0.00 C ATOM 313 CD2 LEU A 21 11.209 -0.051 -9.011 1.00 0.00 C ATOM 0 H LEU A 21 11.006 4.932 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 21 8.741 3.085 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.741 2.733 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.804 1.981 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 21 9.324 0.968 -9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.435 0.768 -11.494 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.110 2.471 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.756 1.815 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.952 -0.870 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.271 0.175 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.989 -0.341 -7.984 1.00 0.00 H new ATOM 325 N LEU A 22 8.368 3.958 -6.537 1.00 0.00 N ATOM 326 CA LEU A 22 8.100 4.453 -5.177 1.00 0.00 C ATOM 327 C LEU A 22 8.070 3.255 -4.229 1.00 0.00 C ATOM 328 O LEU A 22 7.235 2.369 -4.404 1.00 0.00 O ATOM 329 CB LEU A 22 6.717 5.155 -5.112 1.00 0.00 C ATOM 330 CG LEU A 22 6.576 6.277 -6.173 1.00 0.00 C ATOM 331 CD1 LEU A 22 5.147 6.839 -6.108 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.593 7.424 -5.907 1.00 0.00 C ATOM 0 H LEU A 22 7.585 3.463 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 22 8.877 5.165 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.930 4.416 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.573 5.578 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 22 6.780 5.860 -7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.033 7.630 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.433 6.042 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.960 7.244 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.474 8.199 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.411 7.850 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.608 7.028 -5.949 1.00 0.00 H new ATOM 344 N THR A 23 8.992 3.201 -3.243 1.00 0.00 N ATOM 345 CA THR A 23 9.038 2.032 -2.337 1.00 0.00 C ATOM 346 C THR A 23 9.297 2.385 -0.862 1.00 0.00 C ATOM 347 O THR A 23 9.966 3.367 -0.542 1.00 0.00 O ATOM 348 CB THR A 23 10.089 1.021 -2.832 1.00 0.00 C ATOM 349 OG1 THR A 23 10.079 -0.124 -1.989 1.00 0.00 O ATOM 350 CG2 THR A 23 11.488 1.658 -2.823 1.00 0.00 C ATOM 0 H THR A 23 9.689 3.922 -3.057 1.00 0.00 H new ATOM 0 HA THR A 23 8.042 1.591 -2.367 1.00 0.00 H new ATOM 0 HB THR A 23 9.844 0.726 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.154 -0.362 -1.771 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.221 0.932 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.496 2.529 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.741 1.966 -1.808 1.00 0.00 H new ATOM 358 N CYS A 24 8.786 1.509 0.016 1.00 0.00 N ATOM 359 CA CYS A 24 8.964 1.622 1.469 1.00 0.00 C ATOM 360 C CYS A 24 9.024 0.216 2.099 1.00 0.00 C ATOM 361 O CYS A 24 8.734 -0.778 1.427 1.00 0.00 O ATOM 362 CB CYS A 24 7.822 2.449 2.093 1.00 0.00 C ATOM 363 SG CYS A 24 6.225 1.650 1.753 1.00 0.00 S ATOM 0 H CYS A 24 8.235 0.698 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 24 9.903 2.138 1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.972 2.539 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.828 3.460 1.685 1.00 0.00 H new ATOM 368 N GLN A 25 9.453 0.137 3.372 1.00 0.00 N ATOM 369 CA GLN A 25 9.611 -1.171 4.061 1.00 0.00 C ATOM 370 C GLN A 25 8.526 -1.360 5.123 1.00 0.00 C ATOM 371 O GLN A 25 8.488 -0.627 6.114 1.00 0.00 O ATOM 372 CB GLN A 25 10.977 -1.229 4.766 1.00 0.00 C ATOM 373 CG GLN A 25 12.125 -1.040 3.766 1.00 0.00 C ATOM 374 CD GLN A 25 12.202 -2.224 2.818 1.00 0.00 C ATOM 375 OE1 GLN A 25 12.341 -3.360 3.268 1.00 0.00 O ATOM 376 NE2 GLN A 25 12.142 -2.029 1.527 1.00 0.00 N ATOM 0 H GLN A 25 9.695 0.947 3.943 1.00 0.00 H new ATOM 0 HA GLN A 25 9.532 -1.956 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.027 -0.455 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.087 -2.187 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.974 -0.121 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.068 -0.933 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.027 -1.085 1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.211 -2.821 0.888 1.00 0.00 H new ATOM 385 N LEU A 26 7.674 -2.374 4.927 1.00 0.00 N ATOM 386 CA LEU A 26 6.611 -2.699 5.895 1.00 0.00 C ATOM 387 C LEU A 26 6.553 -4.204 6.165 1.00 0.00 C ATOM 388 O LEU A 26 6.905 -5.001 5.303 1.00 0.00 O ATOM 389 CB LEU A 26 5.240 -2.168 5.407 1.00 0.00 C ATOM 390 CG LEU A 26 4.914 -2.674 3.962 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.126 -4.002 4.017 1.00 0.00 C ATOM 392 CD2 LEU A 26 4.069 -1.610 3.219 1.00 0.00 C ATOM 0 H LEU A 26 7.697 -2.984 4.110 1.00 0.00 H new ATOM 0 HA LEU A 26 6.850 -2.202 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.457 -2.492 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.244 -1.078 5.420 1.00 0.00 H new ATOM 0 HG LEU A 26 5.852 -2.841 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.908 -4.338 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.721 -4.757 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.192 -3.849 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.842 -1.963 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.139 -1.440 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.630 -0.677 3.159 1.00 0.00 H new ATOM 404 N LEU A 27 6.096 -4.588 7.370 1.00 0.00 N ATOM 405 CA LEU A 27 5.981 -6.016 7.732 1.00 0.00 C ATOM 406 C LEU A 27 4.497 -6.417 7.953 1.00 0.00 C ATOM 407 O LEU A 27 3.944 -6.121 9.018 1.00 0.00 O ATOM 408 CB LEU A 27 6.780 -6.339 9.020 1.00 0.00 C ATOM 409 CG LEU A 27 8.307 -6.261 8.782 1.00 0.00 C ATOM 410 CD1 LEU A 27 8.760 -4.802 8.557 1.00 0.00 C ATOM 411 CD2 LEU A 27 9.033 -6.851 10.001 1.00 0.00 C ATOM 0 H LEU A 27 5.803 -3.941 8.102 1.00 0.00 H new ATOM 0 HA LEU A 27 6.394 -6.587 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.498 -5.640 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.517 -7.337 9.371 1.00 0.00 H new ATOM 0 HG LEU A 27 8.554 -6.831 7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.837 -4.777 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.250 -4.393 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.513 -4.205 9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.110 -6.800 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.770 -6.281 10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.734 -7.891 10.134 1.00 0.00 H new ATOM 423 N PRO A 28 3.839 -7.123 6.991 1.00 0.00 N ATOM 424 CA PRO A 28 2.420 -7.575 7.175 1.00 0.00 C ATOM 425 C PRO A 28 2.346 -8.767 8.125 1.00 0.00 C ATOM 426 O PRO A 28 3.215 -9.646 8.085 1.00 0.00 O ATOM 427 CB PRO A 28 1.986 -7.972 5.766 1.00 0.00 C ATOM 428 CG PRO A 28 3.240 -8.423 5.095 1.00 0.00 C ATOM 429 CD PRO A 28 4.366 -7.555 5.661 1.00 0.00 C ATOM 0 HA PRO A 28 1.784 -6.807 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.242 -8.768 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.536 -7.131 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.427 -9.479 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.166 -8.307 4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.295 -8.117 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.577 -6.702 5.017 1.00 0.00 H new ATOM 437 N LYS A 29 1.302 -8.804 8.969 1.00 0.00 N ATOM 438 CA LYS A 29 1.138 -9.925 9.917 1.00 0.00 C ATOM 439 C LYS A 29 0.894 -11.224 9.166 1.00 0.00 C ATOM 440 O LYS A 29 1.557 -12.237 9.405 1.00 0.00 O ATOM 441 CB LYS A 29 -0.029 -9.658 10.869 1.00 0.00 C ATOM 442 CG LYS A 29 0.351 -8.552 11.867 1.00 0.00 C ATOM 443 CD LYS A 29 -0.857 -8.203 12.762 1.00 0.00 C ATOM 444 CE LYS A 29 -1.133 -9.343 13.759 1.00 0.00 C ATOM 445 NZ LYS A 29 0.014 -9.468 14.704 1.00 0.00 N ATOM 0 H LYS A 29 0.574 -8.091 9.018 1.00 0.00 H new ATOM 0 HA LYS A 29 2.056 -10.014 10.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.911 -9.361 10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.288 -10.571 11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.187 -8.881 12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.682 -7.664 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.661 -7.277 13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.738 -8.031 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.052 -9.143 14.310 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.280 -10.281 13.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.306 -9.931 15.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.765 -10.038 14.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.384 -8.522 14.928 1.00 0.00 H new ATOM 459 N ARG A 30 -0.023 -11.155 8.208 1.00 0.00 N ATOM 460 CA ARG A 30 -0.361 -12.272 7.330 1.00 0.00 C ATOM 461 C ARG A 30 -1.452 -11.811 6.369 1.00 0.00 C ATOM 462 O ARG A 30 -2.468 -11.279 6.810 1.00 0.00 O ATOM 463 CB ARG A 30 -0.844 -13.493 8.151 1.00 0.00 C ATOM 464 CG ARG A 30 -1.075 -14.687 7.217 1.00 0.00 C ATOM 465 CD ARG A 30 -1.496 -15.910 8.028 1.00 0.00 C ATOM 466 NE ARG A 30 -1.737 -17.050 7.123 1.00 0.00 N ATOM 467 CZ ARG A 30 -2.147 -18.271 7.552 1.00 0.00 C ATOM 468 NH1 ARG A 30 -2.356 -18.517 8.830 1.00 0.00 N ATOM 469 NH2 ARG A 30 -2.346 -19.218 6.678 1.00 0.00 N ATOM 0 H ARG A 30 -0.561 -10.310 8.016 1.00 0.00 H new ATOM 0 HA ARG A 30 0.523 -12.582 6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.103 -13.750 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.766 -13.247 8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.845 -14.443 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.164 -14.906 6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.720 -16.164 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.399 -15.688 8.596 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.588 -16.914 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.210 -17.782 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.664 -19.443 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.194 -19.037 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.654 -20.140 6.986 1.00 0.00 H new ATOM 483 N THR A 31 -1.217 -11.996 5.062 1.00 0.00 N ATOM 484 CA THR A 31 -2.152 -11.545 4.016 1.00 0.00 C ATOM 485 C THR A 31 -2.446 -10.046 4.154 1.00 0.00 C ATOM 486 O THR A 31 -2.281 -9.463 5.230 1.00 0.00 O ATOM 487 CB THR A 31 -3.471 -12.353 4.035 1.00 0.00 C ATOM 488 OG1 THR A 31 -4.181 -12.109 5.240 1.00 0.00 O ATOM 489 CG2 THR A 31 -3.181 -13.853 3.897 1.00 0.00 C ATOM 0 H THR A 31 -0.382 -12.458 4.700 1.00 0.00 H new ATOM 0 HA THR A 31 -1.667 -11.721 3.056 1.00 0.00 H new ATOM 0 HB THR A 31 -4.083 -12.033 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.690 -11.458 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.119 -14.408 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.665 -14.039 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.553 -14.180 4.726 1.00 0.00 H new ATOM 497 N THR A 32 -2.868 -9.419 3.054 1.00 0.00 N ATOM 498 CA THR A 32 -3.185 -7.975 3.069 1.00 0.00 C ATOM 499 C THR A 32 -4.670 -7.740 2.719 1.00 0.00 C ATOM 500 O THR A 32 -5.038 -6.695 2.161 1.00 0.00 O ATOM 501 CB THR A 32 -2.266 -7.188 2.110 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.536 -7.568 0.769 1.00 0.00 O ATOM 503 CG2 THR A 32 -0.788 -7.471 2.433 1.00 0.00 C ATOM 0 H THR A 32 -2.999 -9.873 2.150 1.00 0.00 H new ATOM 0 HA THR A 32 -3.006 -7.605 4.078 1.00 0.00 H new ATOM 0 HB THR A 32 -2.460 -6.123 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.952 -7.066 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.152 -6.909 1.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.575 -7.168 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.589 -8.537 2.321 1.00 0.00 H new ATOM 511 N ALA A 33 -5.510 -8.738 3.046 1.00 0.00 N ATOM 512 CA ALA A 33 -6.948 -8.676 2.791 1.00 0.00 C ATOM 513 C ALA A 33 -7.590 -7.513 3.551 1.00 0.00 C ATOM 514 O ALA A 33 -8.484 -6.837 3.036 1.00 0.00 O ATOM 515 CB ALA A 33 -7.605 -9.991 3.209 1.00 0.00 C ATOM 0 H ALA A 33 -5.207 -9.604 3.492 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.100 -8.514 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.677 -9.939 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.173 -10.812 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.435 -10.161 4.272 1.00 0.00 H new ATOM 521 N HIS A 34 -7.136 -7.301 4.788 1.00 0.00 N ATOM 522 CA HIS A 34 -7.664 -6.217 5.640 1.00 0.00 C ATOM 523 C HIS A 34 -6.615 -5.111 5.859 1.00 0.00 C ATOM 524 O HIS A 34 -6.706 -4.341 6.822 1.00 0.00 O ATOM 525 CB HIS A 34 -8.125 -6.775 6.996 1.00 0.00 C ATOM 526 CG HIS A 34 -9.243 -7.766 6.791 1.00 0.00 C ATOM 527 ND1 HIS A 34 -10.515 -7.375 6.400 1.00 0.00 N ATOM 528 CD2 HIS A 34 -9.294 -9.132 6.915 1.00 0.00 C ATOM 529 CE1 HIS A 34 -11.269 -8.486 6.305 1.00 0.00 C ATOM 530 NE2 HIS A 34 -10.572 -9.584 6.608 1.00 0.00 N ATOM 0 H HIS A 34 -6.405 -7.861 5.227 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.518 -5.779 5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.289 -7.257 7.504 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.462 -5.961 7.638 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.466 -9.761 7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.310 -8.489 6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.906 -10.548 6.613 1.00 0.00 H new ATOM 538 N MET A 35 -5.616 -5.053 4.969 1.00 0.00 N ATOM 539 CA MET A 35 -4.542 -4.066 5.066 1.00 0.00 C ATOM 540 C MET A 35 -4.565 -3.122 3.869 1.00 0.00 C ATOM 541 O MET A 35 -4.963 -3.515 2.763 1.00 0.00 O ATOM 542 CB MET A 35 -3.190 -4.777 5.156 1.00 0.00 C ATOM 543 CG MET A 35 -3.119 -5.572 6.464 1.00 0.00 C ATOM 544 SD MET A 35 -1.589 -6.541 6.507 1.00 0.00 S ATOM 545 CE MET A 35 -1.802 -7.270 8.157 1.00 0.00 C ATOM 0 H MET A 35 -5.533 -5.683 4.171 1.00 0.00 H new ATOM 0 HA MET A 35 -4.694 -3.473 5.968 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.060 -5.445 4.304 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.380 -4.048 5.116 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.155 -4.893 7.316 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.982 -6.233 6.546 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.397 -8.282 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.275 -6.664 8.893 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.863 -7.303 8.406 1.00 0.00 H new ATOM 555 N GLU A 36 -4.158 -1.868 4.105 1.00 0.00 N ATOM 556 CA GLU A 36 -4.148 -0.849 3.058 1.00 0.00 C ATOM 557 C GLU A 36 -2.877 -0.003 3.137 1.00 0.00 C ATOM 558 O GLU A 36 -2.462 0.407 4.225 1.00 0.00 O ATOM 559 CB GLU A 36 -5.404 0.040 3.179 1.00 0.00 C ATOM 560 CG GLU A 36 -5.470 1.036 2.003 1.00 0.00 C ATOM 561 CD GLU A 36 -4.595 2.259 2.290 1.00 0.00 C ATOM 562 OE1 GLU A 36 -4.524 2.669 3.443 1.00 0.00 O ATOM 563 OE2 GLU A 36 -4.000 2.756 1.358 1.00 0.00 O ATOM 0 H GLU A 36 -3.832 -1.539 5.014 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.160 -1.344 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.299 -0.582 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.384 0.583 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.136 0.549 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.501 1.349 1.840 1.00 0.00 H new ATOM 570 N VAL A 37 -2.260 0.250 1.970 1.00 0.00 N ATOM 571 CA VAL A 37 -1.026 1.045 1.902 1.00 0.00 C ATOM 572 C VAL A 37 -1.271 2.321 1.081 1.00 0.00 C ATOM 573 O VAL A 37 -1.822 2.255 -0.021 1.00 0.00 O ATOM 574 CB VAL A 37 0.125 0.203 1.283 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.426 1.023 1.233 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.361 -1.056 2.130 1.00 0.00 C ATOM 0 H VAL A 37 -2.595 -0.084 1.066 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.731 1.332 2.911 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.161 -0.078 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.221 0.418 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.272 1.913 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.708 1.319 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.168 -1.643 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.632 -0.766 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.550 -1.654 2.155 1.00 0.00 H new ATOM 586 N ARG A 38 -0.887 3.487 1.644 1.00 0.00 N ATOM 587 CA ARG A 38 -1.110 4.777 0.956 1.00 0.00 C ATOM 588 C ARG A 38 0.195 5.401 0.465 1.00 0.00 C ATOM 589 O ARG A 38 1.183 5.481 1.212 1.00 0.00 O ATOM 590 CB ARG A 38 -1.811 5.785 1.881 1.00 0.00 C ATOM 591 CG ARG A 38 -3.172 5.251 2.315 1.00 0.00 C ATOM 592 CD ARG A 38 -3.866 6.280 3.208 1.00 0.00 C ATOM 593 NE ARG A 38 -5.143 5.744 3.712 1.00 0.00 N ATOM 594 CZ ARG A 38 -6.298 5.777 2.999 1.00 0.00 C ATOM 595 NH1 ARG A 38 -6.342 6.302 1.790 1.00 0.00 N ATOM 596 NH2 ARG A 38 -7.386 5.281 3.521 1.00 0.00 N ATOM 0 H ARG A 38 -0.431 3.563 2.553 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.743 4.556 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.192 5.976 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.935 6.737 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.787 5.040 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.050 4.311 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.218 6.541 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.045 7.197 2.646 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.160 5.327 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.498 6.694 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.220 6.316 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.363 4.874 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.259 5.301 2.994 1.00 0.00 H new ATOM 610 N TRP A 39 0.145 5.931 -0.764 1.00 0.00 N ATOM 611 CA TRP A 39 1.260 6.661 -1.361 1.00 0.00 C ATOM 612 C TRP A 39 0.795 8.068 -1.718 1.00 0.00 C ATOM 613 O TRP A 39 -0.363 8.268 -2.107 1.00 0.00 O ATOM 614 CB TRP A 39 1.760 5.964 -2.630 1.00 0.00 C ATOM 615 CG TRP A 39 2.384 4.649 -2.292 1.00 0.00 C ATOM 616 CD1 TRP A 39 3.697 4.457 -2.004 1.00 0.00 C ATOM 617 CD2 TRP A 39 1.755 3.341 -2.222 1.00 0.00 C ATOM 618 NE1 TRP A 39 3.904 3.113 -1.759 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.737 2.384 -1.881 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.436 2.896 -2.418 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.428 1.035 -1.742 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.117 1.534 -2.277 1.00 0.00 C ATOM 623 CH2 TRP A 39 1.113 0.606 -1.939 1.00 0.00 C ATOM 0 H TRP A 39 -0.673 5.863 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 39 2.077 6.696 -0.641 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.930 5.813 -3.320 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.486 6.598 -3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.454 5.227 -1.972 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.809 2.708 -1.517 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.337 3.604 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.199 0.324 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.899 1.201 -2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.864 -0.439 -1.831 1.00 0.00 H new ATOM 634 N TYR A 40 1.686 9.037 -1.552 1.00 0.00 N ATOM 635 CA TYR A 40 1.360 10.448 -1.819 1.00 0.00 C ATOM 636 C TYR A 40 2.338 11.066 -2.813 1.00 0.00 C ATOM 637 O TYR A 40 3.460 10.598 -2.964 1.00 0.00 O ATOM 638 CB TYR A 40 1.378 11.256 -0.512 1.00 0.00 C ATOM 639 CG TYR A 40 0.329 10.721 0.438 1.00 0.00 C ATOM 640 CD1 TYR A 40 0.673 9.744 1.380 1.00 0.00 C ATOM 641 CD2 TYR A 40 -0.985 11.202 0.375 1.00 0.00 C ATOM 642 CE1 TYR A 40 -0.298 9.244 2.255 1.00 0.00 C ATOM 643 CE2 TYR A 40 -1.953 10.702 1.252 1.00 0.00 C ATOM 644 CZ TYR A 40 -1.611 9.724 2.191 1.00 0.00 C ATOM 645 OH TYR A 40 -2.567 9.230 3.050 1.00 0.00 O ATOM 0 H TYR A 40 2.642 8.880 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 40 0.361 10.479 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.364 11.196 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.188 12.309 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.687 9.376 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.250 11.958 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.034 8.488 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.967 11.072 1.204 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.424 9.671 2.873 1.00 0.00 H new ATOM 655 N ARG A 41 1.896 12.132 -3.484 1.00 0.00 N ATOM 656 CA ARG A 41 2.737 12.849 -4.444 1.00 0.00 C ATOM 657 C ARG A 41 3.095 14.231 -3.875 1.00 0.00 C ATOM 658 O ARG A 41 2.460 15.239 -4.209 1.00 0.00 O ATOM 659 CB ARG A 41 1.990 12.992 -5.780 1.00 0.00 C ATOM 660 CG ARG A 41 2.936 13.535 -6.849 1.00 0.00 C ATOM 661 CD ARG A 41 2.142 13.834 -8.121 1.00 0.00 C ATOM 662 NE ARG A 41 1.238 14.978 -7.900 1.00 0.00 N ATOM 663 CZ ARG A 41 0.269 15.344 -8.779 1.00 0.00 C ATOM 664 NH1 ARG A 41 0.076 14.680 -9.903 1.00 0.00 N ATOM 665 NH2 ARG A 41 -0.484 16.375 -8.506 1.00 0.00 N ATOM 0 H ARG A 41 0.958 12.518 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 41 3.657 12.291 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.593 12.025 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.139 13.662 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.426 14.440 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.721 12.809 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.825 14.054 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.565 12.956 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 41 1.346 15.522 -7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.660 13.874 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.658 14.972 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.341 16.896 -7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.215 16.660 -9.158 1.00 0.00 H new ATOM 679 N SER A 42 4.079 14.257 -2.951 1.00 0.00 N ATOM 680 CA SER A 42 4.466 15.506 -2.275 1.00 0.00 C ATOM 681 C SER A 42 3.251 16.173 -1.583 1.00 0.00 C ATOM 682 O SER A 42 3.310 17.345 -1.206 1.00 0.00 O ATOM 683 CB SER A 42 5.083 16.478 -3.283 1.00 0.00 C ATOM 684 OG SER A 42 6.212 15.869 -3.896 1.00 0.00 O ATOM 0 H SER A 42 4.612 13.437 -2.661 1.00 0.00 H new ATOM 0 HA SER A 42 5.201 15.258 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.347 16.750 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.380 17.399 -2.782 1.00 0.00 H new ATOM 0 HG SER A 42 6.561 16.458 -4.597 1.00 0.00 H new ATOM 690 N ASP A 43 2.160 15.400 -1.408 1.00 0.00 N ATOM 691 CA ASP A 43 0.947 15.883 -0.754 1.00 0.00 C ATOM 692 C ASP A 43 0.403 14.817 0.235 1.00 0.00 C ATOM 693 O ASP A 43 -0.352 13.929 -0.182 1.00 0.00 O ATOM 694 CB ASP A 43 -0.125 16.225 -1.800 1.00 0.00 C ATOM 695 CG ASP A 43 0.335 17.400 -2.659 1.00 0.00 C ATOM 696 OD1 ASP A 43 1.385 17.290 -3.266 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.373 18.392 -2.698 1.00 0.00 O ATOM 0 H ASP A 43 2.104 14.430 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 43 1.194 16.786 -0.195 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.318 15.357 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.063 16.473 -1.303 1.00 0.00 H new ATOM 702 N PRO A 44 0.783 14.858 1.535 1.00 0.00 N ATOM 703 CA PRO A 44 0.313 13.833 2.532 1.00 0.00 C ATOM 704 C PRO A 44 -1.213 13.838 2.693 1.00 0.00 C ATOM 705 O PRO A 44 -1.801 12.834 3.109 1.00 0.00 O ATOM 706 CB PRO A 44 1.006 14.244 3.840 1.00 0.00 C ATOM 707 CG PRO A 44 1.355 15.683 3.664 1.00 0.00 C ATOM 708 CD PRO A 44 1.673 15.858 2.186 1.00 0.00 C ATOM 0 HA PRO A 44 0.559 12.818 2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.347 14.101 4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.897 13.642 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.527 16.325 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.210 15.956 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.461 16.871 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.724 15.663 1.973 1.00 0.00 H new ATOM 716 N ASP A 45 -1.845 14.974 2.359 1.00 0.00 N ATOM 717 CA ASP A 45 -3.300 15.109 2.465 1.00 0.00 C ATOM 718 C ASP A 45 -4.015 14.486 1.253 1.00 0.00 C ATOM 719 O ASP A 45 -5.148 14.009 1.375 1.00 0.00 O ATOM 720 CB ASP A 45 -3.683 16.588 2.585 1.00 0.00 C ATOM 721 CG ASP A 45 -3.044 17.195 3.831 1.00 0.00 C ATOM 722 OD1 ASP A 45 -3.125 16.574 4.879 1.00 0.00 O ATOM 723 OD2 ASP A 45 -2.483 18.273 3.718 1.00 0.00 O ATOM 0 H ASP A 45 -1.370 15.808 2.015 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.619 14.573 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.355 17.130 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.767 16.688 2.637 1.00 0.00 H new ATOM 728 N MET A 46 -3.351 14.511 0.082 1.00 0.00 N ATOM 729 CA MET A 46 -3.936 13.966 -1.155 1.00 0.00 C ATOM 730 C MET A 46 -3.127 12.748 -1.700 1.00 0.00 C ATOM 731 O MET A 46 -2.093 12.948 -2.345 1.00 0.00 O ATOM 732 CB MET A 46 -4.019 15.077 -2.234 1.00 0.00 C ATOM 733 CG MET A 46 -4.589 14.504 -3.549 1.00 0.00 C ATOM 734 SD MET A 46 -5.032 15.850 -4.673 1.00 0.00 S ATOM 735 CE MET A 46 -6.590 16.310 -3.876 1.00 0.00 C ATOM 0 H MET A 46 -2.415 14.900 -0.032 1.00 0.00 H new ATOM 0 HA MET A 46 -4.938 13.610 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.651 15.891 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.029 15.496 -2.411 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.853 13.853 -4.021 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.466 13.892 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.412 16.178 -4.580 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.753 15.677 -3.004 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.545 17.353 -3.563 1.00 0.00 H new ATOM 745 N PRO A 47 -3.623 11.494 -1.539 1.00 0.00 N ATOM 746 CA PRO A 47 -2.953 10.298 -2.130 1.00 0.00 C ATOM 747 C PRO A 47 -3.261 10.164 -3.629 1.00 0.00 C ATOM 748 O PRO A 47 -4.275 10.681 -4.107 1.00 0.00 O ATOM 749 CB PRO A 47 -3.539 9.135 -1.339 1.00 0.00 C ATOM 750 CG PRO A 47 -4.924 9.576 -1.002 1.00 0.00 C ATOM 751 CD PRO A 47 -4.850 11.091 -0.783 1.00 0.00 C ATOM 0 HA PRO A 47 -1.866 10.350 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.546 8.218 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.957 8.932 -0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.617 9.333 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.286 9.071 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.739 11.595 -1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.769 11.340 0.275 1.00 0.00 H new ATOM 759 N VAL A 48 -2.374 9.473 -4.366 1.00 0.00 N ATOM 760 CA VAL A 48 -2.558 9.285 -5.819 1.00 0.00 C ATOM 761 C VAL A 48 -3.055 7.873 -6.158 1.00 0.00 C ATOM 762 O VAL A 48 -3.809 7.689 -7.120 1.00 0.00 O ATOM 763 CB VAL A 48 -1.248 9.580 -6.581 1.00 0.00 C ATOM 764 CG1 VAL A 48 -0.853 11.042 -6.375 1.00 0.00 C ATOM 765 CG2 VAL A 48 -0.118 8.670 -6.070 1.00 0.00 C ATOM 0 H VAL A 48 -1.532 9.040 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.323 9.994 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.408 9.388 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.072 11.248 -6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.645 11.689 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.704 11.232 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.800 8.888 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.041 8.849 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.393 7.627 -6.225 1.00 0.00 H new ATOM 775 N ILE A 49 -2.628 6.884 -5.365 1.00 0.00 N ATOM 776 CA ILE A 49 -3.030 5.486 -5.576 1.00 0.00 C ATOM 777 C ILE A 49 -2.809 4.677 -4.286 1.00 0.00 C ATOM 778 O ILE A 49 -1.891 4.983 -3.514 1.00 0.00 O ATOM 779 CB ILE A 49 -2.245 4.884 -6.794 1.00 0.00 C ATOM 780 CG1 ILE A 49 -2.905 3.573 -7.293 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.766 4.619 -6.440 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.195 3.898 -8.052 1.00 0.00 C ATOM 0 H ILE A 49 -2.004 7.024 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.093 5.438 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.282 5.625 -7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.216 3.033 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.124 2.921 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.253 4.202 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.288 5.555 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.711 3.912 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.655 2.973 -8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.886 4.419 -7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.964 4.533 -8.907 1.00 0.00 H new ATOM 794 N MET A 50 -3.656 3.663 -4.048 1.00 0.00 N ATOM 795 CA MET A 50 -3.536 2.846 -2.833 1.00 0.00 C ATOM 796 C MET A 50 -3.755 1.366 -3.105 1.00 0.00 C ATOM 797 O MET A 50 -4.458 0.986 -4.045 1.00 0.00 O ATOM 798 CB MET A 50 -4.496 3.341 -1.738 1.00 0.00 C ATOM 799 CG MET A 50 -5.952 3.272 -2.217 1.00 0.00 C ATOM 800 SD MET A 50 -7.032 3.927 -0.916 1.00 0.00 S ATOM 801 CE MET A 50 -8.610 3.681 -1.766 1.00 0.00 C ATOM 0 H MET A 50 -4.418 3.393 -4.670 1.00 0.00 H new ATOM 0 HA MET A 50 -2.512 2.961 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.375 2.734 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.246 4.367 -1.466 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.075 3.848 -3.134 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.224 2.242 -2.449 1.00 0.00 H new ATOM 0 HE1 MET A 50 -9.429 3.941 -1.095 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.650 4.316 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.704 2.637 -2.064 1.00 0.00 H new ATOM 811 N TYR A 51 -3.128 0.542 -2.267 1.00 0.00 N ATOM 812 CA TYR A 51 -3.211 -0.906 -2.382 1.00 0.00 C ATOM 813 C TYR A 51 -3.949 -1.468 -1.174 1.00 0.00 C ATOM 814 O TYR A 51 -3.457 -1.370 -0.051 1.00 0.00 O ATOM 815 CB TYR A 51 -1.789 -1.475 -2.428 1.00 0.00 C ATOM 816 CG TYR A 51 -1.808 -2.921 -2.857 1.00 0.00 C ATOM 817 CD1 TYR A 51 -1.812 -3.245 -4.220 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.805 -3.938 -1.896 1.00 0.00 C ATOM 819 CE1 TYR A 51 -1.814 -4.583 -4.621 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.808 -5.279 -2.297 1.00 0.00 C ATOM 821 CZ TYR A 51 -1.811 -5.601 -3.661 1.00 0.00 C ATOM 822 OH TYR A 51 -1.807 -6.924 -4.057 1.00 0.00 O ATOM 0 H TYR A 51 -2.549 0.863 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.750 -1.180 -3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.181 -0.893 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.325 -1.388 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.814 -2.460 -4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.800 -3.688 -0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.818 -4.832 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.808 -6.065 -1.556 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.650 -7.132 -4.511 1.00 0.00 H new ATOM 832 N ARG A 52 -5.144 -2.026 -1.407 1.00 0.00 N ATOM 833 CA ARG A 52 -5.971 -2.561 -0.314 1.00 0.00 C ATOM 834 C ARG A 52 -6.578 -3.919 -0.666 1.00 0.00 C ATOM 835 O ARG A 52 -6.863 -4.202 -1.830 1.00 0.00 O ATOM 836 CB ARG A 52 -7.084 -1.561 0.048 1.00 0.00 C ATOM 837 CG ARG A 52 -8.005 -1.315 -1.161 1.00 0.00 C ATOM 838 CD ARG A 52 -9.091 -0.309 -0.780 1.00 0.00 C ATOM 839 NE ARG A 52 -9.973 -0.042 -1.933 1.00 0.00 N ATOM 840 CZ ARG A 52 -11.018 0.825 -1.886 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.313 1.483 -0.781 1.00 0.00 N ATOM 842 NH2 ARG A 52 -11.744 1.011 -2.955 1.00 0.00 N ATOM 0 H ARG A 52 -5.559 -2.119 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.319 -2.707 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.668 -1.945 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.642 -0.619 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.424 -0.938 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.459 -2.252 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.678 -0.696 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.632 0.620 -0.442 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.789 -0.533 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.752 1.345 0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.102 2.129 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.524 0.508 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.531 1.660 -2.931 1.00 0.00 H new ATOM 856 N ASP A 53 -6.784 -4.743 0.366 1.00 0.00 N ATOM 857 CA ASP A 53 -7.362 -6.075 0.194 1.00 0.00 C ATOM 858 C ASP A 53 -6.594 -6.874 -0.872 1.00 0.00 C ATOM 859 O ASP A 53 -7.184 -7.641 -1.650 1.00 0.00 O ATOM 860 CB ASP A 53 -8.854 -5.961 -0.181 1.00 0.00 C ATOM 861 CG ASP A 53 -9.565 -7.307 0.005 1.00 0.00 C ATOM 862 OD1 ASP A 53 -9.228 -8.021 0.940 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.440 -7.603 -0.792 1.00 0.00 O ATOM 0 H ASP A 53 -6.557 -4.508 1.332 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.278 -6.612 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.333 -5.203 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.950 -5.634 -1.216 1.00 0.00 H new ATOM 868 N GLY A 54 -5.269 -6.703 -0.878 1.00 0.00 N ATOM 869 CA GLY A 54 -4.401 -7.414 -1.824 1.00 0.00 C ATOM 870 C GLY A 54 -4.606 -6.928 -3.274 1.00 0.00 C ATOM 871 O GLY A 54 -4.214 -7.620 -4.220 1.00 0.00 O ATOM 0 H GLY A 54 -4.774 -6.080 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.359 -7.271 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.603 -8.484 -1.768 1.00 0.00 H new ATOM 875 N ALA A 55 -5.243 -5.750 -3.444 1.00 0.00 N ATOM 876 CA ALA A 55 -5.513 -5.209 -4.783 1.00 0.00 C ATOM 877 C ALA A 55 -5.475 -3.681 -4.790 1.00 0.00 C ATOM 878 O ALA A 55 -5.887 -3.040 -3.826 1.00 0.00 O ATOM 879 CB ALA A 55 -6.882 -5.693 -5.276 1.00 0.00 C ATOM 0 H ALA A 55 -5.575 -5.165 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.731 -5.570 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.075 -5.288 -6.269 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.888 -6.782 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.657 -5.354 -4.589 1.00 0.00 H new ATOM 885 N GLU A 56 -5.022 -3.109 -5.912 1.00 0.00 N ATOM 886 CA GLU A 56 -4.972 -1.654 -6.077 1.00 0.00 C ATOM 887 C GLU A 56 -6.336 -1.136 -6.527 1.00 0.00 C ATOM 888 O GLU A 56 -7.102 -1.868 -7.163 1.00 0.00 O ATOM 889 CB GLU A 56 -3.895 -1.271 -7.096 1.00 0.00 C ATOM 890 CG GLU A 56 -3.627 0.230 -7.027 1.00 0.00 C ATOM 891 CD GLU A 56 -2.480 0.589 -7.964 1.00 0.00 C ATOM 892 OE1 GLU A 56 -1.340 0.375 -7.583 1.00 0.00 O ATOM 893 OE2 GLU A 56 -2.757 1.070 -9.049 1.00 0.00 O ATOM 0 H GLU A 56 -4.685 -3.634 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.719 -1.198 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.977 -1.823 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.217 -1.546 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.524 0.783 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.379 0.519 -6.006 1.00 0.00 H new ATOM 900 N VAL A 57 -6.647 0.119 -6.175 1.00 0.00 N ATOM 901 CA VAL A 57 -7.949 0.715 -6.529 1.00 0.00 C ATOM 902 C VAL A 57 -8.188 0.637 -8.035 1.00 0.00 C ATOM 903 O VAL A 57 -7.240 0.518 -8.808 1.00 0.00 O ATOM 904 CB VAL A 57 -8.027 2.180 -6.055 1.00 0.00 C ATOM 905 CG1 VAL A 57 -7.946 2.227 -4.529 1.00 0.00 C ATOM 906 CG2 VAL A 57 -6.866 2.998 -6.650 1.00 0.00 C ATOM 0 H VAL A 57 -6.026 0.737 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.728 0.144 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.972 2.608 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.001 3.263 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.776 1.663 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.003 1.789 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.935 4.030 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.917 2.570 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.924 2.973 -7.738 1.00 0.00 H new ATOM 916 N THR A 58 -9.467 0.674 -8.440 1.00 0.00 N ATOM 917 CA THR A 58 -9.828 0.574 -9.863 1.00 0.00 C ATOM 918 C THR A 58 -9.294 1.765 -10.656 1.00 0.00 C ATOM 919 O THR A 58 -8.885 1.614 -11.811 1.00 0.00 O ATOM 920 CB THR A 58 -11.352 0.487 -10.028 1.00 0.00 C ATOM 921 OG1 THR A 58 -11.960 1.640 -9.455 1.00 0.00 O ATOM 922 CG2 THR A 58 -11.881 -0.774 -9.339 1.00 0.00 C ATOM 0 H THR A 58 -10.262 0.772 -7.809 1.00 0.00 H new ATOM 0 HA THR A 58 -9.371 -0.335 -10.254 1.00 0.00 H new ATOM 0 HB THR A 58 -11.595 0.440 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.933 1.584 -9.562 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.963 -0.828 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.421 -1.654 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.637 -0.738 -8.277 1.00 0.00 H new ATOM 930 N GLY A 59 -9.287 2.945 -10.023 1.00 0.00 N ATOM 931 CA GLY A 59 -8.782 4.160 -10.665 1.00 0.00 C ATOM 932 C GLY A 59 -9.507 4.435 -11.979 1.00 0.00 C ATOM 933 O GLY A 59 -10.740 4.421 -12.031 1.00 0.00 O ATOM 0 H GLY A 59 -9.625 3.082 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.909 5.009 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.713 4.058 -10.851 1.00 0.00 H new ATOM 937 N LEU A 60 -8.726 4.691 -13.039 1.00 0.00 N ATOM 938 CA LEU A 60 -9.282 4.981 -14.358 1.00 0.00 C ATOM 939 C LEU A 60 -9.866 3.698 -15.000 1.00 0.00 C ATOM 940 O LEU A 60 -9.342 2.605 -14.761 1.00 0.00 O ATOM 941 CB LEU A 60 -8.192 5.566 -15.274 1.00 0.00 C ATOM 942 CG LEU A 60 -7.713 6.931 -14.742 1.00 0.00 C ATOM 943 CD1 LEU A 60 -6.467 7.362 -15.520 1.00 0.00 C ATOM 944 CD2 LEU A 60 -8.815 7.990 -14.937 1.00 0.00 C ATOM 0 H LEU A 60 -7.707 4.702 -13.003 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.084 5.710 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.350 4.876 -15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.582 5.680 -16.286 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.483 6.841 -13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.122 8.327 -15.149 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.680 6.620 -15.387 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.710 7.446 -16.579 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.467 8.951 -14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.048 8.081 -15.998 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.710 7.688 -14.393 1.00 0.00 H new ATOM 956 N PRO A 61 -10.935 3.801 -15.827 1.00 0.00 N ATOM 957 CA PRO A 61 -11.544 2.601 -16.499 1.00 0.00 C ATOM 958 C PRO A 61 -10.545 1.873 -17.406 1.00 0.00 C ATOM 959 O PRO A 61 -9.705 2.504 -18.053 1.00 0.00 O ATOM 960 CB PRO A 61 -12.694 3.190 -17.333 1.00 0.00 C ATOM 961 CG PRO A 61 -13.006 4.498 -16.691 1.00 0.00 C ATOM 962 CD PRO A 61 -11.673 5.041 -16.202 1.00 0.00 C ATOM 0 HA PRO A 61 -11.870 1.856 -15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.399 3.322 -18.374 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.562 2.531 -17.329 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.471 5.182 -17.401 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.705 4.372 -15.864 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.154 5.602 -16.979 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.796 5.712 -15.352 1.00 0.00 H new ATOM 970 N MET A 62 -10.676 0.544 -17.471 1.00 0.00 N ATOM 971 CA MET A 62 -9.818 -0.294 -18.329 1.00 0.00 C ATOM 972 C MET A 62 -8.336 -0.196 -17.928 1.00 0.00 C ATOM 973 O MET A 62 -7.440 -0.356 -18.770 1.00 0.00 O ATOM 974 CB MET A 62 -9.994 0.098 -19.816 1.00 0.00 C ATOM 975 CG MET A 62 -11.468 -0.047 -20.234 1.00 0.00 C ATOM 976 SD MET A 62 -11.972 -1.786 -20.122 1.00 0.00 S ATOM 977 CE MET A 62 -13.711 -1.547 -20.561 1.00 0.00 C ATOM 0 H MET A 62 -11.370 0.019 -16.939 1.00 0.00 H new ATOM 0 HA MET A 62 -10.131 -1.329 -18.191 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.664 1.125 -19.970 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.367 -0.535 -20.443 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.100 0.566 -19.591 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.604 0.315 -21.253 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.224 -2.509 -20.554 1.00 0.00 H new ATOM 0 HE2 MET A 62 -14.181 -0.880 -19.838 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.778 -1.108 -21.556 1.00 0.00 H new ATOM 987 N GLU A 63 -8.086 0.024 -16.631 1.00 0.00 N ATOM 988 CA GLU A 63 -6.714 0.101 -16.107 1.00 0.00 C ATOM 989 C GLU A 63 -6.714 0.232 -14.580 1.00 0.00 C ATOM 990 O GLU A 63 -6.516 1.325 -14.034 1.00 0.00 O ATOM 991 CB GLU A 63 -5.926 1.262 -16.776 1.00 0.00 C ATOM 992 CG GLU A 63 -6.679 2.608 -16.613 1.00 0.00 C ATOM 993 CD GLU A 63 -6.079 3.708 -17.523 1.00 0.00 C ATOM 994 OE1 GLU A 63 -5.097 3.442 -18.211 1.00 0.00 O ATOM 995 OE2 GLU A 63 -6.620 4.802 -17.516 1.00 0.00 O ATOM 0 H GLU A 63 -8.812 0.152 -15.926 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.206 -0.830 -16.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.935 1.339 -16.329 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.783 1.047 -17.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.732 2.468 -16.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.631 2.929 -15.572 1.00 0.00 H new ATOM 1002 N GLY A 64 -6.903 -0.917 -13.898 1.00 0.00 N ATOM 1003 CA GLY A 64 -6.932 -0.964 -12.420 1.00 0.00 C ATOM 1004 C GLY A 64 -5.657 -0.378 -11.814 1.00 0.00 C ATOM 1005 O GLY A 64 -5.675 0.151 -10.704 1.00 0.00 O ATOM 0 H GLY A 64 -7.038 -1.823 -14.346 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.797 -0.411 -12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.051 -1.996 -12.090 1.00 0.00 H new ATOM 1009 N TYR A 65 -4.589 -0.386 -12.596 1.00 0.00 N ATOM 1010 CA TYR A 65 -3.322 0.236 -12.208 1.00 0.00 C ATOM 1011 C TYR A 65 -3.548 1.747 -11.884 1.00 0.00 C ATOM 1012 O TYR A 65 -2.664 2.427 -11.341 1.00 0.00 O ATOM 1013 CB TYR A 65 -2.293 0.087 -13.354 1.00 0.00 C ATOM 1014 CG TYR A 65 -2.094 -1.393 -13.697 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -2.481 -1.880 -14.954 1.00 0.00 C ATOM 1016 CD2 TYR A 65 -1.534 -2.268 -12.754 1.00 0.00 C ATOM 1017 CE1 TYR A 65 -2.306 -3.233 -15.267 1.00 0.00 C ATOM 1018 CE2 TYR A 65 -1.358 -3.620 -13.069 1.00 0.00 C ATOM 1019 CZ TYR A 65 -1.743 -4.102 -14.325 1.00 0.00 C ATOM 1020 OH TYR A 65 -1.569 -5.437 -14.635 1.00 0.00 O ATOM 0 H TYR A 65 -4.571 -0.822 -13.518 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.937 -0.262 -11.318 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.638 0.629 -14.235 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.342 0.531 -13.059 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.915 -1.210 -15.682 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.238 -1.898 -11.784 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.605 -3.606 -16.235 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.925 -4.292 -12.343 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.165 -5.900 -13.872 1.00 0.00 H new ATOM 1030 N GLY A 66 -4.695 2.279 -12.352 1.00 0.00 N ATOM 1031 CA GLY A 66 -5.028 3.693 -12.241 1.00 0.00 C ATOM 1032 C GLY A 66 -4.583 4.453 -13.496 1.00 0.00 C ATOM 1033 O GLY A 66 -4.576 5.688 -13.512 1.00 0.00 O ATOM 0 H GLY A 66 -5.414 1.726 -12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.103 3.809 -12.101 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.544 4.118 -11.361 1.00 0.00 H new ATOM 1037 N GLY A 67 -4.154 3.696 -14.530 1.00 0.00 N ATOM 1038 CA GLY A 67 -3.645 4.290 -15.763 1.00 0.00 C ATOM 1039 C GLY A 67 -2.274 4.978 -15.536 1.00 0.00 C ATOM 1040 O GLY A 67 -1.707 5.555 -16.467 1.00 0.00 O ATOM 0 H GLY A 67 -4.154 2.676 -14.525 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.544 3.518 -16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.362 5.019 -16.140 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.769 4.949 -14.272 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.510 5.608 -13.926 1.00 0.00 C ATOM 1046 C ARG A 68 0.568 4.636 -13.430 1.00 0.00 C ATOM 1047 O ARG A 68 1.713 4.704 -13.892 1.00 0.00 O ATOM 1048 CB ARG A 68 -0.753 6.726 -12.889 1.00 0.00 C ATOM 1049 CG ARG A 68 -1.353 6.143 -11.600 1.00 0.00 C ATOM 1050 CD ARG A 68 -1.911 7.277 -10.734 1.00 0.00 C ATOM 1051 NE ARG A 68 -3.096 7.879 -11.378 1.00 0.00 N ATOM 1052 CZ ARG A 68 -3.667 9.039 -10.955 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -3.183 9.709 -9.926 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -4.717 9.499 -11.580 1.00 0.00 N ATOM 0 H ARG A 68 -2.223 4.475 -13.491 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.127 6.046 -14.848 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.186 7.232 -12.664 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.427 7.475 -13.304 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.145 5.435 -11.843 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.591 5.592 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.179 6.894 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.145 8.038 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.507 7.401 -12.180 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.364 9.359 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.628 10.577 -9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.100 8.990 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.154 10.368 -11.272 1.00 0.00 H new ATOM 1068 N ALA A 69 0.230 3.786 -12.426 1.00 0.00 N ATOM 1069 CA ALA A 69 1.240 2.895 -11.834 1.00 0.00 C ATOM 1070 C ALA A 69 0.706 1.503 -11.530 1.00 0.00 C ATOM 1071 O ALA A 69 -0.444 1.336 -11.137 1.00 0.00 O ATOM 1072 CB ALA A 69 1.798 3.520 -10.555 1.00 0.00 C ATOM 0 H ALA A 69 -0.705 3.705 -12.026 1.00 0.00 H new ATOM 0 HA ALA A 69 2.029 2.778 -12.577 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.545 2.855 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.258 4.480 -10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.989 3.671 -9.841 1.00 0.00 H new ATOM 1078 N GLU A 70 1.601 0.521 -11.632 1.00 0.00 N ATOM 1079 CA GLU A 70 1.288 -0.865 -11.305 1.00 0.00 C ATOM 1080 C GLU A 70 2.132 -1.317 -10.118 1.00 0.00 C ATOM 1081 O GLU A 70 3.278 -0.877 -9.961 1.00 0.00 O ATOM 1082 CB GLU A 70 1.550 -1.781 -12.524 1.00 0.00 C ATOM 1083 CG GLU A 70 3.027 -1.676 -12.976 1.00 0.00 C ATOM 1084 CD GLU A 70 3.303 -2.584 -14.187 1.00 0.00 C ATOM 1085 OE1 GLU A 70 2.381 -2.836 -14.954 1.00 0.00 O ATOM 1086 OE2 GLU A 70 4.436 -3.014 -14.327 1.00 0.00 O ATOM 0 H GLU A 70 2.561 0.666 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 70 0.233 -0.935 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.315 -2.814 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.892 -1.499 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.259 -0.642 -13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.683 -1.955 -12.152 1.00 0.00 H new ATOM 1093 N TRP A 71 1.556 -2.182 -9.277 1.00 0.00 N ATOM 1094 CA TRP A 71 2.261 -2.674 -8.092 1.00 0.00 C ATOM 1095 C TRP A 71 3.251 -3.775 -8.453 1.00 0.00 C ATOM 1096 O TRP A 71 2.883 -4.776 -9.077 1.00 0.00 O ATOM 1097 CB TRP A 71 1.266 -3.175 -7.022 1.00 0.00 C ATOM 1098 CG TRP A 71 0.409 -4.282 -7.572 1.00 0.00 C ATOM 1099 CD1 TRP A 71 -0.789 -4.110 -8.176 1.00 0.00 C ATOM 1100 CD2 TRP A 71 0.669 -5.715 -7.580 1.00 0.00 C ATOM 1101 NE1 TRP A 71 -1.282 -5.348 -8.550 1.00 0.00 N ATOM 1102 CE2 TRP A 71 -0.417 -6.368 -8.203 1.00 0.00 C ATOM 1103 CE3 TRP A 71 1.735 -6.504 -7.108 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 -0.450 -7.752 -8.357 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 1.706 -7.901 -7.259 1.00 0.00 C ATOM 1106 CH2 TRP A 71 0.614 -8.523 -7.883 1.00 0.00 C ATOM 0 H TRP A 71 0.613 -2.552 -9.394 1.00 0.00 H new ATOM 0 HA TRP A 71 2.822 -1.837 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.812 -3.531 -6.148 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.635 -2.350 -6.690 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.280 -3.162 -8.340 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.174 -5.490 -9.024 1.00 0.00 H new ATOM 0 HE3 TRP A 71 2.580 -6.033 -6.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.292 -8.226 -8.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.528 -8.498 -6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.596 -9.597 -7.997 1.00 0.00 H new ATOM 1117 N MET A 72 4.500 -3.593 -8.025 1.00 0.00 N ATOM 1118 CA MET A 72 5.551 -4.576 -8.257 1.00 0.00 C ATOM 1119 C MET A 72 6.171 -4.991 -6.922 1.00 0.00 C ATOM 1120 O MET A 72 6.982 -4.255 -6.348 1.00 0.00 O ATOM 1121 CB MET A 72 6.624 -3.981 -9.200 1.00 0.00 C ATOM 1122 CG MET A 72 7.713 -5.025 -9.502 1.00 0.00 C ATOM 1123 SD MET A 72 8.912 -4.327 -10.664 1.00 0.00 S ATOM 1124 CE MET A 72 10.002 -5.767 -10.755 1.00 0.00 C ATOM 0 H MET A 72 4.807 -2.767 -7.512 1.00 0.00 H new ATOM 0 HA MET A 72 5.127 -5.461 -8.732 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.158 -3.653 -10.129 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.073 -3.101 -8.740 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.214 -5.321 -8.580 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.263 -5.924 -9.923 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.830 -5.555 -11.432 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.393 -5.991 -9.762 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.441 -6.625 -11.126 1.00 0.00 H new ATOM 1134 N GLU A 73 5.774 -6.171 -6.435 1.00 0.00 N ATOM 1135 CA GLU A 73 6.276 -6.690 -5.164 1.00 0.00 C ATOM 1136 C GLU A 73 7.612 -7.402 -5.364 1.00 0.00 C ATOM 1137 O GLU A 73 7.791 -8.144 -6.334 1.00 0.00 O ATOM 1138 CB GLU A 73 5.252 -7.640 -4.532 1.00 0.00 C ATOM 1139 CG GLU A 73 5.668 -7.955 -3.091 1.00 0.00 C ATOM 1140 CD GLU A 73 4.607 -8.815 -2.416 1.00 0.00 C ATOM 1141 OE1 GLU A 73 4.376 -9.915 -2.888 1.00 0.00 O ATOM 1142 OE2 GLU A 73 4.039 -8.360 -1.436 1.00 0.00 O ATOM 0 H GLU A 73 5.106 -6.783 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 73 6.433 -5.850 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.262 -7.185 -4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.187 -8.560 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.626 -8.475 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.805 -7.029 -2.533 1.00 0.00 H new ATOM 1149 N ASP A 74 8.553 -7.135 -4.458 1.00 0.00 N ATOM 1150 CA ASP A 74 9.897 -7.708 -4.537 1.00 0.00 C ATOM 1151 C ASP A 74 9.876 -9.232 -4.422 1.00 0.00 C ATOM 1152 O ASP A 74 9.038 -9.806 -3.724 1.00 0.00 O ATOM 1153 CB ASP A 74 10.792 -7.116 -3.432 1.00 0.00 C ATOM 1154 CG ASP A 74 11.139 -5.636 -3.715 1.00 0.00 C ATOM 1155 OD1 ASP A 74 10.950 -5.187 -4.842 1.00 0.00 O ATOM 1156 OD2 ASP A 74 11.591 -4.975 -2.793 1.00 0.00 O ATOM 0 H ASP A 74 8.408 -6.522 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 74 10.303 -7.452 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.284 -7.194 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.711 -7.698 -3.356 1.00 0.00 H new ATOM 1161 N SER A 75 10.835 -9.871 -5.100 1.00 0.00 N ATOM 1162 CA SER A 75 10.985 -11.331 -5.077 1.00 0.00 C ATOM 1163 C SER A 75 11.269 -11.832 -3.658 1.00 0.00 C ATOM 1164 O SER A 75 10.831 -12.919 -3.273 1.00 0.00 O ATOM 1165 CB SER A 75 12.120 -11.753 -6.011 1.00 0.00 C ATOM 1166 OG SER A 75 11.758 -11.459 -7.355 1.00 0.00 O ATOM 0 H SER A 75 11.527 -9.394 -5.678 1.00 0.00 H new ATOM 0 HA SER A 75 10.049 -11.775 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.038 -11.228 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.319 -12.819 -5.901 1.00 0.00 H new ATOM 0 HG SER A 75 12.485 -11.727 -7.956 1.00 0.00 H new ATOM 1172 N THR A 76 12.039 -11.040 -2.905 1.00 0.00 N ATOM 1173 CA THR A 76 12.436 -11.397 -1.541 1.00 0.00 C ATOM 1174 C THR A 76 11.202 -11.643 -0.666 1.00 0.00 C ATOM 1175 O THR A 76 11.228 -12.499 0.224 1.00 0.00 O ATOM 1176 CB THR A 76 13.277 -10.246 -0.937 1.00 0.00 C ATOM 1177 OG1 THR A 76 14.402 -10.004 -1.772 1.00 0.00 O ATOM 1178 CG2 THR A 76 13.778 -10.623 0.471 1.00 0.00 C ATOM 0 H THR A 76 12.402 -10.141 -3.221 1.00 0.00 H new ATOM 0 HA THR A 76 13.026 -12.313 -1.574 1.00 0.00 H new ATOM 0 HB THR A 76 12.653 -9.355 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.938 -9.275 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.367 -9.802 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.925 -10.816 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.397 -11.518 0.409 1.00 0.00 H new ATOM 1186 N GLU A 77 10.150 -10.847 -0.883 1.00 0.00 N ATOM 1187 CA GLU A 77 8.928 -10.936 -0.064 1.00 0.00 C ATOM 1188 C GLU A 77 9.241 -10.617 1.411 1.00 0.00 C ATOM 1189 O GLU A 77 8.541 -11.077 2.322 1.00 0.00 O ATOM 1190 CB GLU A 77 8.290 -12.338 -0.178 1.00 0.00 C ATOM 1191 CG GLU A 77 7.929 -12.637 -1.637 1.00 0.00 C ATOM 1192 CD GLU A 77 6.741 -11.785 -2.068 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.968 -10.697 -2.569 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.620 -12.235 -1.893 1.00 0.00 O ATOM 0 H GLU A 77 10.116 -10.136 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 77 8.217 -10.201 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.983 -13.092 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.396 -12.391 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.785 -12.433 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.689 -13.694 -1.751 1.00 0.00 H new ATOM 1201 N GLU A 78 10.271 -9.783 1.627 1.00 0.00 N ATOM 1202 CA GLU A 78 10.664 -9.345 2.974 1.00 0.00 C ATOM 1203 C GLU A 78 9.666 -8.321 3.565 1.00 0.00 C ATOM 1204 O GLU A 78 9.897 -7.782 4.652 1.00 0.00 O ATOM 1205 CB GLU A 78 12.090 -8.752 2.956 1.00 0.00 C ATOM 1206 CG GLU A 78 12.152 -7.535 2.016 1.00 0.00 C ATOM 1207 CD GLU A 78 13.573 -6.978 1.975 1.00 0.00 C ATOM 1208 OE1 GLU A 78 14.164 -6.831 3.032 1.00 0.00 O ATOM 1209 OE2 GLU A 78 14.049 -6.705 0.884 1.00 0.00 O ATOM 0 H GLU A 78 10.849 -9.397 0.880 1.00 0.00 H new ATOM 0 HA GLU A 78 10.651 -10.225 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.381 -8.456 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.802 -9.510 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.837 -7.823 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.461 -6.765 2.359 1.00 0.00 H new ATOM 1216 N GLY A 79 8.581 -8.031 2.822 1.00 0.00 N ATOM 1217 CA GLY A 79 7.586 -7.048 3.246 1.00 0.00 C ATOM 1218 C GLY A 79 7.801 -5.678 2.569 1.00 0.00 C ATOM 1219 O GLY A 79 7.073 -4.722 2.854 1.00 0.00 O ATOM 0 H GLY A 79 8.378 -8.469 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.588 -7.417 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.633 -6.929 4.328 1.00 0.00 H new ATOM 1223 N SER A 80 8.769 -5.602 1.632 1.00 0.00 N ATOM 1224 CA SER A 80 9.029 -4.364 0.906 1.00 0.00 C ATOM 1225 C SER A 80 8.010 -4.219 -0.211 1.00 0.00 C ATOM 1226 O SER A 80 7.675 -5.200 -0.888 1.00 0.00 O ATOM 1227 CB SER A 80 10.431 -4.412 0.297 1.00 0.00 C ATOM 1228 OG SER A 80 11.389 -4.558 1.327 1.00 0.00 O ATOM 0 H SER A 80 9.373 -6.381 1.370 1.00 0.00 H new ATOM 0 HA SER A 80 8.956 -3.519 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.506 -5.243 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.625 -3.500 -0.268 1.00 0.00 H new ATOM 0 HG SER A 80 11.032 -4.188 2.161 1.00 0.00 H new ATOM 1234 N VAL A 81 7.511 -2.997 -0.394 1.00 0.00 N ATOM 1235 CA VAL A 81 6.511 -2.719 -1.428 1.00 0.00 C ATOM 1236 C VAL A 81 7.069 -1.702 -2.413 1.00 0.00 C ATOM 1237 O VAL A 81 7.498 -0.619 -2.015 1.00 0.00 O ATOM 1238 CB VAL A 81 5.200 -2.183 -0.788 1.00 0.00 C ATOM 1239 CG1 VAL A 81 4.139 -1.917 -1.879 1.00 0.00 C ATOM 1240 CG2 VAL A 81 4.651 -3.209 0.217 1.00 0.00 C ATOM 0 H VAL A 81 7.782 -2.184 0.159 1.00 0.00 H new ATOM 0 HA VAL A 81 6.280 -3.644 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 81 5.423 -1.249 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.227 -1.542 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.519 -1.177 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.922 -2.844 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.732 -2.827 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.442 -4.147 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.389 -3.382 1.000 1.00 0.00 H new ATOM 1250 N ALA A 82 7.043 -2.057 -3.697 1.00 0.00 N ATOM 1251 CA ALA A 82 7.524 -1.173 -4.751 1.00 0.00 C ATOM 1252 C ALA A 82 6.405 -0.878 -5.736 1.00 0.00 C ATOM 1253 O ALA A 82 5.740 -1.795 -6.229 1.00 0.00 O ATOM 1254 CB ALA A 82 8.707 -1.817 -5.481 1.00 0.00 C ATOM 0 H ALA A 82 6.692 -2.955 -4.030 1.00 0.00 H new ATOM 0 HA ALA A 82 7.855 -0.237 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.058 -1.148 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.515 -2.001 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.391 -2.761 -5.924 1.00 0.00 H new ATOM 1260 N LEU A 83 6.209 0.407 -6.021 1.00 0.00 N ATOM 1261 CA LEU A 83 5.180 0.845 -6.952 1.00 0.00 C ATOM 1262 C LEU A 83 5.829 1.405 -8.208 1.00 0.00 C ATOM 1263 O LEU A 83 6.614 2.358 -8.141 1.00 0.00 O ATOM 1264 CB LEU A 83 4.277 1.918 -6.287 1.00 0.00 C ATOM 1265 CG LEU A 83 3.156 2.388 -7.254 1.00 0.00 C ATOM 1266 CD1 LEU A 83 2.178 1.235 -7.550 1.00 0.00 C ATOM 1267 CD2 LEU A 83 2.392 3.554 -6.622 1.00 0.00 C ATOM 0 H LEU A 83 6.756 1.166 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 83 4.559 -0.008 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.831 1.510 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.884 2.772 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 83 3.613 2.709 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.400 1.583 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.719 0.409 -8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.723 0.896 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.605 3.884 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.947 3.230 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.079 4.379 -6.434 1.00 0.00 H new ATOM 1279 N LYS A 84 5.495 0.806 -9.343 1.00 0.00 N ATOM 1280 CA LYS A 84 6.035 1.228 -10.623 1.00 0.00 C ATOM 1281 C LYS A 84 5.094 2.233 -11.286 1.00 0.00 C ATOM 1282 O LYS A 84 3.932 1.929 -11.528 1.00 0.00 O ATOM 1283 CB LYS A 84 6.226 0.003 -11.523 1.00 0.00 C ATOM 1284 CG LYS A 84 6.987 0.398 -12.801 1.00 0.00 C ATOM 1285 CD LYS A 84 7.128 -0.822 -13.730 1.00 0.00 C ATOM 1286 CE LYS A 84 8.141 -1.822 -13.148 1.00 0.00 C ATOM 1287 NZ LYS A 84 8.313 -2.961 -14.093 1.00 0.00 N ATOM 0 H LYS A 84 4.847 0.020 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 84 6.999 1.711 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.777 -0.769 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.256 -0.421 -11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.457 1.199 -13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.973 0.784 -12.542 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.160 -1.306 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.453 -0.499 -14.719 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.098 -1.329 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.794 -2.187 -12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.998 -3.638 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.399 -3.436 -14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.663 -2.605 -15.006 1.00 0.00 H new ATOM 1301 N ILE A 85 5.611 3.433 -11.573 1.00 0.00 N ATOM 1302 CA ILE A 85 4.814 4.491 -12.209 1.00 0.00 C ATOM 1303 C ILE A 85 5.409 4.867 -13.570 1.00 0.00 C ATOM 1304 O ILE A 85 6.627 4.952 -13.720 1.00 0.00 O ATOM 1305 CB ILE A 85 4.712 5.728 -11.273 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.780 6.787 -11.904 1.00 0.00 C ATOM 1307 CG2 ILE A 85 6.104 6.338 -11.028 1.00 0.00 C ATOM 1308 CD1 ILE A 85 3.338 7.796 -10.838 1.00 0.00 C ATOM 0 H ILE A 85 6.576 3.697 -11.376 1.00 0.00 H new ATOM 0 HA ILE A 85 3.805 4.116 -12.380 1.00 0.00 H new ATOM 0 HB ILE A 85 4.300 5.407 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.297 7.303 -12.713 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.908 6.302 -12.341 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.012 7.203 -10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.750 5.594 -10.561 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.537 6.649 -11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.681 8.539 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.804 7.275 -10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.214 8.292 -10.421 1.00 0.00 H new ATOM 1320 N ARG A 86 4.536 5.025 -14.566 1.00 0.00 N ATOM 1321 CA ARG A 86 4.966 5.326 -15.928 1.00 0.00 C ATOM 1322 C ARG A 86 4.861 6.817 -16.232 1.00 0.00 C ATOM 1323 O ARG A 86 3.920 7.488 -15.804 1.00 0.00 O ATOM 1324 CB ARG A 86 4.119 4.536 -16.926 1.00 0.00 C ATOM 1325 CG ARG A 86 4.387 3.038 -16.747 1.00 0.00 C ATOM 1326 CD ARG A 86 3.521 2.242 -17.723 1.00 0.00 C ATOM 1327 NE ARG A 86 3.743 0.793 -17.540 1.00 0.00 N ATOM 1328 CZ ARG A 86 4.794 0.124 -18.090 1.00 0.00 C ATOM 1329 NH1 ARG A 86 5.692 0.745 -18.830 1.00 0.00 N ATOM 1330 NH2 ARG A 86 4.918 -1.160 -17.877 1.00 0.00 N ATOM 0 H ARG A 86 3.525 4.949 -14.452 1.00 0.00 H new ATOM 0 HA ARG A 86 6.013 5.036 -16.020 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.061 4.749 -16.771 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.359 4.840 -17.945 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.441 2.823 -16.922 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.167 2.739 -15.722 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.469 2.479 -17.563 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.760 2.527 -18.748 1.00 0.00 H new ATOM 0 HE ARG A 86 3.076 0.268 -16.974 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.608 1.747 -19.001 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.471 0.223 -19.232 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.231 -1.651 -17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.701 -1.671 -18.284 1.00 0.00 H new ATOM 1344 N GLN A 87 5.822 7.312 -17.014 1.00 0.00 N ATOM 1345 CA GLN A 87 5.847 8.716 -17.439 1.00 0.00 C ATOM 1346 C GLN A 87 5.876 9.670 -16.225 1.00 0.00 C ATOM 1347 O GLN A 87 5.085 10.621 -16.135 1.00 0.00 O ATOM 1348 CB GLN A 87 4.628 9.023 -18.359 1.00 0.00 C ATOM 1349 CG GLN A 87 4.570 8.032 -19.556 1.00 0.00 C ATOM 1350 CD GLN A 87 5.884 8.037 -20.349 1.00 0.00 C ATOM 1351 OE1 GLN A 87 6.289 9.071 -20.881 1.00 0.00 O ATOM 1352 NE2 GLN A 87 6.577 6.931 -20.443 1.00 0.00 N ATOM 0 H GLN A 87 6.600 6.757 -17.369 1.00 0.00 H new ATOM 0 HA GLN A 87 6.762 8.883 -18.008 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.706 8.956 -17.782 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.697 10.045 -18.731 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.369 7.026 -19.188 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.744 8.302 -20.215 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.237 6.077 -20.001 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.457 6.923 -20.959 1.00 0.00 H new ATOM 1361 N VAL A 88 6.803 9.401 -15.295 1.00 0.00 N ATOM 1362 CA VAL A 88 6.957 10.217 -14.084 1.00 0.00 C ATOM 1363 C VAL A 88 7.027 11.724 -14.435 1.00 0.00 C ATOM 1364 O VAL A 88 7.287 12.080 -15.588 1.00 0.00 O ATOM 1365 CB VAL A 88 8.207 9.744 -13.284 1.00 0.00 C ATOM 1366 CG1 VAL A 88 9.529 10.218 -13.949 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.123 10.268 -11.847 1.00 0.00 C ATOM 0 H VAL A 88 7.459 8.622 -15.359 1.00 0.00 H new ATOM 0 HA VAL A 88 6.081 10.083 -13.450 1.00 0.00 H new ATOM 0 HB VAL A 88 8.215 8.654 -13.280 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.378 9.868 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.595 9.812 -14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.543 11.307 -13.994 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.998 9.937 -11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.090 11.357 -11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.221 9.883 -11.371 1.00 0.00 H new ATOM 1377 N GLN A 89 6.727 12.594 -13.451 1.00 0.00 N ATOM 1378 CA GLN A 89 6.690 14.058 -13.706 1.00 0.00 C ATOM 1379 C GLN A 89 7.422 14.841 -12.594 1.00 0.00 C ATOM 1380 O GLN A 89 7.650 14.302 -11.496 1.00 0.00 O ATOM 1381 CB GLN A 89 5.220 14.604 -13.780 1.00 0.00 C ATOM 1382 CG GLN A 89 4.224 13.560 -14.370 1.00 0.00 C ATOM 1383 CD GLN A 89 3.349 12.947 -13.254 1.00 0.00 C ATOM 1384 OE1 GLN A 89 2.171 12.670 -13.477 1.00 0.00 O ATOM 1385 NE2 GLN A 89 3.861 12.717 -12.060 1.00 0.00 N ATOM 0 H GLN A 89 6.511 12.323 -12.492 1.00 0.00 H new ATOM 0 HA GLN A 89 7.187 14.206 -14.665 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.892 14.890 -12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.201 15.506 -14.392 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.589 14.038 -15.116 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.777 12.771 -14.880 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.837 12.945 -11.871 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.281 12.311 -11.326 1.00 0.00 H new ATOM 1394 N PRO A 90 7.708 16.148 -12.811 1.00 0.00 N ATOM 1395 CA PRO A 90 8.312 17.012 -11.750 1.00 0.00 C ATOM 1396 C PRO A 90 7.465 16.953 -10.474 1.00 0.00 C ATOM 1397 O PRO A 90 7.992 17.016 -9.365 1.00 0.00 O ATOM 1398 CB PRO A 90 8.274 18.417 -12.364 1.00 0.00 C ATOM 1399 CG PRO A 90 8.321 18.182 -13.834 1.00 0.00 C ATOM 1400 CD PRO A 90 7.496 16.925 -14.072 1.00 0.00 C ATOM 0 HA PRO A 90 9.318 16.704 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.369 18.952 -12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.119 19.019 -12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.909 19.031 -14.380 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.347 18.049 -14.177 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.443 17.156 -14.233 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.839 16.376 -14.949 1.00 0.00 H new ATOM 1408 N SER A 91 6.141 16.798 -10.654 1.00 0.00 N ATOM 1409 CA SER A 91 5.218 16.684 -9.529 1.00 0.00 C ATOM 1410 C SER A 91 5.538 15.443 -8.695 1.00 0.00 C ATOM 1411 O SER A 91 5.437 15.474 -7.463 1.00 0.00 O ATOM 1412 CB SER A 91 3.777 16.611 -10.032 1.00 0.00 C ATOM 1413 OG SER A 91 3.430 17.845 -10.645 1.00 0.00 O ATOM 0 H SER A 91 5.694 16.750 -11.570 1.00 0.00 H new ATOM 0 HA SER A 91 5.333 17.568 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.670 15.794 -10.746 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.101 16.401 -9.203 1.00 0.00 H new ATOM 0 HG SER A 91 2.507 17.800 -10.970 1.00 0.00 H new ATOM 1419 N ASP A 92 5.964 14.360 -9.373 1.00 0.00 N ATOM 1420 CA ASP A 92 6.344 13.124 -8.683 1.00 0.00 C ATOM 1421 C ASP A 92 7.556 13.366 -7.788 1.00 0.00 C ATOM 1422 O ASP A 92 7.645 12.819 -6.684 1.00 0.00 O ATOM 1423 CB ASP A 92 6.662 12.031 -9.693 1.00 0.00 C ATOM 1424 CG ASP A 92 6.870 10.699 -8.978 1.00 0.00 C ATOM 1425 OD1 ASP A 92 5.917 10.203 -8.400 1.00 0.00 O ATOM 1426 OD2 ASP A 92 7.980 10.194 -9.018 1.00 0.00 O ATOM 0 H ASP A 92 6.051 14.321 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 92 5.505 12.804 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.848 11.943 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.558 12.294 -10.255 1.00 0.00 H new ATOM 1431 N ASP A 93 8.476 14.212 -8.269 1.00 0.00 N ATOM 1432 CA ASP A 93 9.678 14.562 -7.517 1.00 0.00 C ATOM 1433 C ASP A 93 9.299 15.132 -6.159 1.00 0.00 C ATOM 1434 O ASP A 93 8.495 16.067 -6.071 1.00 0.00 O ATOM 1435 CB ASP A 93 10.494 15.595 -8.304 1.00 0.00 C ATOM 1436 CG ASP A 93 11.860 15.844 -7.646 1.00 0.00 C ATOM 1437 OD1 ASP A 93 11.939 15.787 -6.427 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.807 16.086 -8.376 1.00 0.00 O ATOM 0 H ASP A 93 8.406 14.666 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 93 10.278 13.664 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.638 15.246 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.940 16.532 -8.363 1.00 0.00 H new ATOM 1443 N GLY A 94 9.869 14.550 -5.102 1.00 0.00 N ATOM 1444 CA GLY A 94 9.580 14.978 -3.739 1.00 0.00 C ATOM 1445 C GLY A 94 9.538 13.787 -2.793 1.00 0.00 C ATOM 1446 O GLY A 94 10.149 12.749 -3.057 1.00 0.00 O ATOM 0 H GLY A 94 10.534 13.780 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.340 15.685 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.625 15.502 -3.713 1.00 0.00 H new ATOM 1450 N GLN A 95 8.826 13.955 -1.681 1.00 0.00 N ATOM 1451 CA GLN A 95 8.706 12.906 -0.671 1.00 0.00 C ATOM 1452 C GLN A 95 7.275 12.390 -0.586 1.00 0.00 C ATOM 1453 O GLN A 95 6.318 13.118 -0.919 1.00 0.00 O ATOM 1454 CB GLN A 95 9.130 13.451 0.695 1.00 0.00 C ATOM 1455 CG GLN A 95 10.655 13.581 0.756 1.00 0.00 C ATOM 1456 CD GLN A 95 11.122 14.765 -0.091 1.00 0.00 C ATOM 1457 OE1 GLN A 95 11.980 14.607 -0.959 1.00 0.00 O ATOM 1458 NE2 GLN A 95 10.604 15.948 0.111 1.00 0.00 N ATOM 0 H GLN A 95 8.321 14.812 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 95 9.357 12.081 -0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.667 14.422 0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.781 12.786 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.974 13.716 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.120 12.663 0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.893 16.077 0.831 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.911 16.742 -0.451 1.00 0.00 H new ATOM 1467 N TYR A 96 7.120 11.152 -0.080 1.00 0.00 N ATOM 1468 CA TYR A 96 5.790 10.593 0.136 1.00 0.00 C ATOM 1469 C TYR A 96 5.766 9.779 1.418 1.00 0.00 C ATOM 1470 O TYR A 96 6.772 9.172 1.781 1.00 0.00 O ATOM 1471 CB TYR A 96 5.315 9.744 -1.076 1.00 0.00 C ATOM 1472 CG TYR A 96 6.008 8.388 -1.161 1.00 0.00 C ATOM 1473 CD1 TYR A 96 5.555 7.332 -0.355 1.00 0.00 C ATOM 1474 CD2 TYR A 96 7.063 8.182 -2.049 1.00 0.00 C ATOM 1475 CE1 TYR A 96 6.162 6.081 -0.432 1.00 0.00 C ATOM 1476 CE2 TYR A 96 7.670 6.921 -2.124 1.00 0.00 C ATOM 1477 CZ TYR A 96 7.217 5.875 -1.315 1.00 0.00 C ATOM 1478 OH TYR A 96 7.816 4.639 -1.388 1.00 0.00 O ATOM 0 H TYR A 96 7.890 10.536 0.180 1.00 0.00 H new ATOM 0 HA TYR A 96 5.090 11.422 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.238 9.592 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.500 10.299 -1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.733 7.490 0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.411 8.990 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.814 5.272 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.489 6.757 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 96 8.717 4.689 -1.006 1.00 0.00 H new ATOM 1488 N TRP A 97 4.608 9.742 2.073 1.00 0.00 N ATOM 1489 CA TRP A 97 4.457 8.989 3.305 1.00 0.00 C ATOM 1490 C TRP A 97 3.891 7.604 3.033 1.00 0.00 C ATOM 1491 O TRP A 97 2.756 7.470 2.563 1.00 0.00 O ATOM 1492 CB TRP A 97 3.533 9.738 4.269 1.00 0.00 C ATOM 1493 CG TRP A 97 4.196 10.996 4.731 1.00 0.00 C ATOM 1494 CD1 TRP A 97 4.072 12.201 4.131 1.00 0.00 C ATOM 1495 CD2 TRP A 97 5.076 11.198 5.875 1.00 0.00 C ATOM 1496 NE1 TRP A 97 4.820 13.130 4.832 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.459 12.559 5.916 1.00 0.00 C ATOM 1498 CE3 TRP A 97 5.577 10.338 6.871 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 6.304 13.053 6.907 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 6.431 10.834 7.874 1.00 0.00 C ATOM 1501 CH2 TRP A 97 6.792 12.190 7.890 1.00 0.00 C ATOM 0 H TRP A 97 3.764 10.226 1.767 1.00 0.00 H new ATOM 0 HA TRP A 97 5.444 8.879 3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.590 9.973 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.295 9.106 5.125 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.485 12.405 3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 97 4.891 14.116 4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 97 5.305 9.293 6.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.580 14.097 6.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 6.810 10.168 8.635 1.00 0.00 H new ATOM 0 HH2 TRP A 97 7.447 12.566 8.662 1.00 0.00 H new ATOM 1512 N CYS A 98 4.661 6.580 3.403 1.00 0.00 N ATOM 1513 CA CYS A 98 4.218 5.200 3.281 1.00 0.00 C ATOM 1514 C CYS A 98 3.419 4.849 4.528 1.00 0.00 C ATOM 1515 O CYS A 98 3.969 4.843 5.640 1.00 0.00 O ATOM 1516 CB CYS A 98 5.444 4.263 3.149 1.00 0.00 C ATOM 1517 SG CYS A 98 4.895 2.538 3.010 1.00 0.00 S ATOM 0 H CYS A 98 5.598 6.686 3.791 1.00 0.00 H new ATOM 0 HA CYS A 98 3.598 5.077 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.030 4.539 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.095 4.377 4.016 1.00 0.00 H new ATOM 1522 N ARG A 99 2.104 4.644 4.356 1.00 0.00 N ATOM 1523 CA ARG A 99 1.217 4.381 5.495 1.00 0.00 C ATOM 1524 C ARG A 99 0.758 2.947 5.534 1.00 0.00 C ATOM 1525 O ARG A 99 0.358 2.392 4.515 1.00 0.00 O ATOM 1526 CB ARG A 99 -0.013 5.279 5.433 1.00 0.00 C ATOM 1527 CG ARG A 99 0.394 6.723 5.660 1.00 0.00 C ATOM 1528 CD ARG A 99 -0.838 7.628 5.582 1.00 0.00 C ATOM 1529 NE ARG A 99 -0.454 9.034 5.814 1.00 0.00 N ATOM 1530 CZ ARG A 99 -1.345 10.061 5.816 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -2.633 9.856 5.609 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -0.918 11.277 6.030 1.00 0.00 N ATOM 0 H ARG A 99 1.637 4.655 3.449 1.00 0.00 H new ATOM 0 HA ARG A 99 1.794 4.590 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.501 5.177 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.737 4.972 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.872 6.827 6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.127 7.026 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.310 7.529 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.574 7.317 6.324 1.00 0.00 H new ATOM 0 HE ARG A 99 0.530 9.246 5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.979 8.911 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.282 10.643 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.074 11.448 6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.577 12.056 6.034 1.00 0.00 H new ATOM 1546 N PHE A 100 0.741 2.384 6.742 1.00 0.00 N ATOM 1547 CA PHE A 100 0.239 1.031 6.960 1.00 0.00 C ATOM 1548 C PHE A 100 -1.040 1.123 7.769 1.00 0.00 C ATOM 1549 O PHE A 100 -1.005 1.533 8.930 1.00 0.00 O ATOM 1550 CB PHE A 100 1.274 0.219 7.736 1.00 0.00 C ATOM 1551 CG PHE A 100 0.998 -1.264 7.598 1.00 0.00 C ATOM 1552 CD1 PHE A 100 1.720 -2.020 6.666 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.029 -1.879 8.400 1.00 0.00 C ATOM 1554 CE1 PHE A 100 1.475 -3.389 6.533 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.217 -3.253 8.268 1.00 0.00 C ATOM 1556 CZ PHE A 100 0.508 -4.007 7.333 1.00 0.00 C ATOM 0 H PHE A 100 1.071 2.849 7.588 1.00 0.00 H new ATOM 0 HA PHE A 100 0.048 0.543 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.274 0.445 7.365 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.252 0.502 8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.468 -1.544 6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.528 -1.296 9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.032 -3.970 5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.964 -3.730 8.885 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.319 -5.065 7.231 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.173 0.804 7.134 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.478 0.913 7.793 1.00 0.00 C ATOM 1568 C GLN A 101 -4.033 -0.460 8.159 1.00 0.00 C ATOM 1569 O GLN A 101 -4.293 -1.292 7.283 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.466 1.658 6.876 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.783 1.962 7.625 1.00 0.00 C ATOM 1572 CD GLN A 101 -5.526 2.896 8.808 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -4.958 3.975 8.638 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -5.921 2.544 10.001 1.00 0.00 N ATOM 0 H GLN A 101 -2.213 0.470 6.171 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.346 1.476 8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -4.017 2.588 6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.675 1.055 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.499 2.420 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.229 1.033 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.391 1.650 10.139 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -5.759 3.163 10.795 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.252 -0.662 9.459 1.00 0.00 N ATOM 1584 CA GLU A 102 -4.826 -1.900 9.973 1.00 0.00 C ATOM 1585 C GLU A 102 -5.613 -1.616 11.248 1.00 0.00 C ATOM 1586 O GLU A 102 -5.066 -1.064 12.208 1.00 0.00 O ATOM 1587 CB GLU A 102 -3.718 -2.919 10.261 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.337 -4.308 10.515 1.00 0.00 C ATOM 1589 CD GLU A 102 -4.883 -4.413 11.950 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -4.333 -3.767 12.836 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -5.846 -5.137 12.140 1.00 0.00 O ATOM 0 H GLU A 102 -4.037 0.026 10.180 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.498 -2.314 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.028 -2.967 9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.139 -2.605 11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.141 -4.488 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.586 -5.081 10.350 1.00 0.00 H new ATOM 1598 N GLY A 103 -6.901 -1.979 11.246 1.00 0.00 N ATOM 1599 CA GLY A 103 -7.766 -1.735 12.402 1.00 0.00 C ATOM 1600 C GLY A 103 -7.798 -0.249 12.740 1.00 0.00 C ATOM 1601 O GLY A 103 -8.006 0.592 11.859 1.00 0.00 O ATOM 0 H GLY A 103 -7.363 -2.439 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.775 -2.088 12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.405 -2.302 13.260 1.00 0.00 H new ATOM 1605 N ASP A 104 -7.585 0.068 14.021 1.00 0.00 N ATOM 1606 CA ASP A 104 -7.580 1.464 14.486 1.00 0.00 C ATOM 1607 C ASP A 104 -6.148 2.011 14.674 1.00 0.00 C ATOM 1608 O ASP A 104 -5.963 3.067 15.287 1.00 0.00 O ATOM 1609 CB ASP A 104 -8.366 1.593 15.799 1.00 0.00 C ATOM 1610 CG ASP A 104 -7.730 0.739 16.900 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -7.316 -0.371 16.606 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -7.668 1.212 18.022 1.00 0.00 O ATOM 0 H ASP A 104 -7.414 -0.619 14.755 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.062 2.062 13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.392 2.637 16.112 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.399 1.282 15.642 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.141 1.285 14.148 1.00 0.00 N ATOM 1618 CA TYR A 105 -3.736 1.706 14.268 1.00 0.00 C ATOM 1619 C TYR A 105 -3.051 1.758 12.908 1.00 0.00 C ATOM 1620 O TYR A 105 -3.221 0.852 12.085 1.00 0.00 O ATOM 1621 CB TYR A 105 -2.959 0.737 15.168 1.00 0.00 C ATOM 1622 CG TYR A 105 -3.513 0.761 16.568 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -4.516 -0.139 16.941 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -3.016 1.683 17.496 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -5.020 -0.119 18.246 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -3.520 1.702 18.798 1.00 0.00 C ATOM 1627 CZ TYR A 105 -4.524 0.803 19.174 1.00 0.00 C ATOM 1628 OH TYR A 105 -5.022 0.823 20.459 1.00 0.00 O ATOM 0 H TYR A 105 -5.276 0.411 13.640 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.738 2.704 14.706 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -3.020 -0.273 14.763 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -1.904 1.011 15.183 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.901 -0.848 16.223 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.243 2.379 17.205 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.792 -0.816 18.537 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.135 2.411 19.515 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.569 1.522 20.975 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.214 2.788 12.708 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.430 2.914 11.482 1.00 0.00 C ATOM 1640 C TRP A 106 -0.097 3.621 11.758 1.00 0.00 C ATOM 1641 O TRP A 106 0.043 4.328 12.762 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.234 3.648 10.376 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.549 5.056 10.791 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -1.817 6.139 10.445 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -3.641 5.545 11.622 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.397 7.265 11.004 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.523 6.949 11.740 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -4.718 4.913 12.277 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.434 7.702 12.480 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -5.638 5.670 13.025 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -5.494 7.063 13.125 1.00 0.00 C ATOM 0 H TRP A 106 -2.067 3.541 13.381 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.210 1.910 11.119 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.661 3.657 9.449 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.159 3.108 10.174 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -0.927 6.128 9.834 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.037 8.212 10.887 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.837 3.842 12.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.320 8.773 12.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.459 5.177 13.525 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.203 7.640 13.701 1.00 0.00 H new ATOM 1662 N ARG A 107 0.864 3.440 10.848 1.00 0.00 N ATOM 1663 CA ARG A 107 2.181 4.083 10.976 1.00 0.00 C ATOM 1664 C ARG A 107 2.562 4.730 9.652 1.00 0.00 C ATOM 1665 O ARG A 107 2.313 4.157 8.587 1.00 0.00 O ATOM 1666 CB ARG A 107 3.251 3.055 11.382 1.00 0.00 C ATOM 1667 CG ARG A 107 4.591 3.760 11.706 1.00 0.00 C ATOM 1668 CD ARG A 107 4.486 4.522 13.041 1.00 0.00 C ATOM 1669 NE ARG A 107 5.767 5.189 13.360 1.00 0.00 N ATOM 1670 CZ ARG A 107 6.103 6.422 12.902 1.00 0.00 C ATOM 1671 NH1 ARG A 107 5.281 7.119 12.148 1.00 0.00 N ATOM 1672 NH2 ARG A 107 7.265 6.926 13.215 1.00 0.00 N ATOM 0 H ARG A 107 0.759 2.857 10.018 1.00 0.00 H new ATOM 0 HA ARG A 107 2.124 4.846 11.753 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.911 2.492 12.251 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.398 2.337 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.393 3.024 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.849 4.452 10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.689 5.263 12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.220 3.831 13.841 1.00 0.00 H new ATOM 0 HE ARG A 107 6.433 4.697 13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.370 6.735 11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.554 8.044 11.815 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.911 6.394 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.527 7.852 12.876 1.00 0.00 H new ATOM 1686 N GLU A 108 3.118 5.948 9.719 1.00 0.00 N ATOM 1687 CA GLU A 108 3.470 6.697 8.510 1.00 0.00 C ATOM 1688 C GLU A 108 4.932 7.177 8.533 1.00 0.00 C ATOM 1689 O GLU A 108 5.423 7.640 9.564 1.00 0.00 O ATOM 1690 CB GLU A 108 2.509 7.892 8.360 1.00 0.00 C ATOM 1691 CG GLU A 108 2.700 8.893 9.523 1.00 0.00 C ATOM 1692 CD GLU A 108 1.722 10.063 9.386 1.00 0.00 C ATOM 1693 OE1 GLU A 108 1.542 10.536 8.273 1.00 0.00 O ATOM 1694 OE2 GLU A 108 1.172 10.468 10.395 1.00 0.00 O ATOM 0 H GLU A 108 3.331 6.430 10.592 1.00 0.00 H new ATOM 0 HA GLU A 108 3.371 6.032 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.689 8.393 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.478 7.537 8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.541 8.388 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.724 9.265 9.526 1.00 0.00 H new ATOM 1701 N THR A 109 5.606 7.075 7.377 1.00 0.00 N ATOM 1702 CA THR A 109 7.006 7.512 7.256 1.00 0.00 C ATOM 1703 C THR A 109 7.311 8.020 5.832 1.00 0.00 C ATOM 1704 O THR A 109 6.833 7.453 4.857 1.00 0.00 O ATOM 1705 CB THR A 109 7.943 6.351 7.629 1.00 0.00 C ATOM 1706 OG1 THR A 109 9.288 6.781 7.545 1.00 0.00 O ATOM 1707 CG2 THR A 109 7.712 5.158 6.685 1.00 0.00 C ATOM 0 H THR A 109 5.208 6.696 6.518 1.00 0.00 H new ATOM 0 HA THR A 109 7.172 8.342 7.943 1.00 0.00 H new ATOM 0 HB THR A 109 7.730 6.035 8.650 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.620 6.994 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.381 4.342 6.959 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.678 4.823 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 109 7.913 5.463 5.658 1.00 0.00 H new ATOM 1715 N SER A 110 8.105 9.100 5.734 1.00 0.00 N ATOM 1716 CA SER A 110 8.450 9.704 4.432 1.00 0.00 C ATOM 1717 C SER A 110 9.636 9.009 3.744 1.00 0.00 C ATOM 1718 O SER A 110 10.618 8.658 4.388 1.00 0.00 O ATOM 1719 CB SER A 110 8.744 11.195 4.596 1.00 0.00 C ATOM 1720 OG SER A 110 9.344 11.695 3.410 1.00 0.00 O ATOM 0 H SER A 110 8.520 9.573 6.537 1.00 0.00 H new ATOM 0 HA SER A 110 7.581 9.568 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.822 11.737 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.407 11.354 5.446 1.00 0.00 H new ATOM 0 HG SER A 110 9.472 12.663 3.491 1.00 0.00 H new ATOM 1726 N VAL A 111 9.544 8.887 2.408 1.00 0.00 N ATOM 1727 CA VAL A 111 10.619 8.295 1.582 1.00 0.00 C ATOM 1728 C VAL A 111 11.135 9.362 0.600 1.00 0.00 C ATOM 1729 O VAL A 111 10.353 10.221 0.152 1.00 0.00 O ATOM 1730 CB VAL A 111 10.109 7.054 0.802 1.00 0.00 C ATOM 1731 CG1 VAL A 111 11.279 6.406 0.039 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.494 6.019 1.774 1.00 0.00 C ATOM 0 H VAL A 111 8.732 9.192 1.872 1.00 0.00 H new ATOM 0 HA VAL A 111 11.427 7.965 2.235 1.00 0.00 H new ATOM 0 HB VAL A 111 9.342 7.376 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.919 5.535 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.699 7.127 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.048 6.097 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.141 5.155 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.250 5.700 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.657 6.472 2.306 1.00 0.00 H new ATOM 1742 N LEU A 112 12.465 9.357 0.327 1.00 0.00 N ATOM 1743 CA LEU A 112 13.073 10.399 -0.531 1.00 0.00 C ATOM 1744 C LEU A 112 13.211 9.953 -1.994 1.00 0.00 C ATOM 1745 O LEU A 112 14.120 9.199 -2.333 1.00 0.00 O ATOM 1746 CB LEU A 112 14.464 10.755 0.016 1.00 0.00 C ATOM 1747 CG LEU A 112 14.336 11.521 1.345 1.00 0.00 C ATOM 1748 CD1 LEU A 112 15.692 11.518 2.065 1.00 0.00 C ATOM 1749 CD2 LEU A 112 13.922 12.983 1.069 1.00 0.00 C ATOM 0 H LEU A 112 13.121 8.660 0.680 1.00 0.00 H new ATOM 0 HA LEU A 112 12.410 11.264 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.046 9.846 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.004 11.362 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 112 13.581 11.038 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 112 15.605 12.060 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 112 15.996 10.490 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 112 16.439 12.002 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.833 13.520 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.677 13.464 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.963 12.998 0.551 1.00 0.00 H new ATOM 1761 N LEU A 113 12.345 10.490 -2.871 1.00 0.00 N ATOM 1762 CA LEU A 113 12.438 10.213 -4.322 1.00 0.00 C ATOM 1763 C LEU A 113 12.280 11.491 -5.135 1.00 0.00 C ATOM 1764 O LEU A 113 11.181 12.043 -5.217 1.00 0.00 O ATOM 1765 CB LEU A 113 11.397 9.171 -4.779 1.00 0.00 C ATOM 1766 CG LEU A 113 11.443 7.915 -3.859 1.00 0.00 C ATOM 1767 CD1 LEU A 113 10.522 8.118 -2.644 1.00 0.00 C ATOM 1768 CD2 LEU A 113 10.983 6.682 -4.646 1.00 0.00 C ATOM 0 H LEU A 113 11.580 11.112 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 113 13.431 9.799 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.400 9.610 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.593 8.881 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 113 12.466 7.767 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.561 7.235 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.853 8.989 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.499 8.275 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.016 5.805 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.963 6.835 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.643 6.529 -5.500 1.00 0.00 H new ATOM 1780 N GLN A 114 13.372 11.941 -5.764 1.00 0.00 N ATOM 1781 CA GLN A 114 13.332 13.153 -6.595 1.00 0.00 C ATOM 1782 C GLN A 114 13.723 12.832 -8.027 1.00 0.00 C ATOM 1783 O GLN A 114 14.759 12.219 -8.266 1.00 0.00 O ATOM 1784 CB GLN A 114 14.270 14.237 -6.028 1.00 0.00 C ATOM 1785 CG GLN A 114 13.842 14.607 -4.600 1.00 0.00 C ATOM 1786 CD GLN A 114 14.360 13.567 -3.613 1.00 0.00 C ATOM 1787 OE1 GLN A 114 15.551 13.257 -3.606 1.00 0.00 O ATOM 1788 NE2 GLN A 114 13.530 12.991 -2.792 1.00 0.00 N ATOM 0 H GLN A 114 14.286 11.491 -5.716 1.00 0.00 H new ATOM 0 HA GLN A 114 12.311 13.533 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 114 15.298 13.875 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 114 14.244 15.121 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 114 14.229 15.592 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 114 12.755 14.666 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.543 13.249 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.866 12.281 -2.141 1.00 0.00 H new ATOM 1797 N VAL A 115 12.886 13.259 -8.979 1.00 0.00 N ATOM 1798 CA VAL A 115 13.143 13.008 -10.399 1.00 0.00 C ATOM 1799 C VAL A 115 13.729 14.256 -11.051 1.00 0.00 C ATOM 1800 O VAL A 115 13.140 15.341 -10.977 1.00 0.00 O ATOM 1801 CB VAL A 115 11.831 12.581 -11.132 1.00 0.00 C ATOM 1802 CG1 VAL A 115 12.101 12.285 -12.636 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.234 11.330 -10.444 1.00 0.00 C ATOM 0 H VAL A 115 12.028 13.778 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 115 13.861 12.192 -10.482 1.00 0.00 H new ATOM 0 HB VAL A 115 11.119 13.404 -11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.171 11.990 -13.122 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.494 13.180 -13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 115 12.828 11.477 -12.723 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.319 11.034 -10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.954 10.513 -10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.008 11.560 -9.403 1.00 0.00 H new ATOM 1813 N ALA A 116 14.888 14.089 -11.693 1.00 0.00 N ATOM 1814 CA ALA A 116 15.555 15.198 -12.370 1.00 0.00 C ATOM 1815 C ALA A 116 14.742 15.637 -13.585 1.00 0.00 C ATOM 1816 O ALA A 116 14.196 14.798 -14.312 1.00 0.00 O ATOM 1817 CB ALA A 116 16.957 14.776 -12.808 1.00 0.00 C ATOM 0 H ALA A 116 15.381 13.198 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 116 15.636 16.035 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.447 15.609 -13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.540 14.487 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.885 13.930 -13.492 1.00 0.00 H new ATOM 1823 N ALA A 117 14.654 16.958 -13.793 1.00 0.00 N ATOM 1824 CA ALA A 117 13.891 17.512 -14.913 1.00 0.00 C ATOM 1825 C ALA A 117 14.739 17.555 -16.182 1.00 0.00 C ATOM 1826 O ALA A 117 15.943 17.706 -16.061 1.00 0.00 O ATOM 1827 CB ALA A 117 13.398 18.919 -14.575 1.00 0.00 C ATOM 1828 OXT ALA A 117 14.169 17.442 -17.254 1.00 0.00 O ATOM 0 H ALA A 117 15.101 17.658 -13.201 1.00 0.00 H new ATOM 0 HA ALA A 117 13.033 16.863 -15.089 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.832 19.318 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.757 18.878 -13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.252 19.565 -14.373 1.00 0.00 H new TER 1834 ALA A 117