USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 132 THR OG1 : rot 130:sc= 0.998 USER MOD Set 1.2: A 141 LYS NZ :NH3+ 173:sc= 1.12 (180deg=0) USER MOD Set 2.1: A 71 ASN : amide:sc= -4.17! C(o=-6.7!,f=-1.5!) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.164 K(o=-0.16,f=-4.8!) USER MOD Single : A 11 MET CE :methyl 155:sc= -1.4 (180deg=-2.98!) USER MOD Single : A 17 GLN : amide:sc= -0.673 K(o=-0.67,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 171:sc= -2.51 (180deg=-2.7!) USER MOD Single : A 64 MET CE :methyl -117:sc= -5.3! (180deg=-7.01!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 164:sc= -0.894! USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0.885 (180deg=-0.201!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 81 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 82 SER OG : rot 6:sc= 0.816 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 71:sc= 0.983 USER MOD Single : A 90 ASN : amide:sc= 0.278 K(o=0.28,f=-0.4) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.6!) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00554 USER MOD Single : A 108 MET CE :methyl -163:sc= -0.32 (180deg=-0.836) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 37:sc= -0.43 USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.0311 (180deg=-0.231) USER MOD Single : A 124 SER OG : rot -21:sc= 0.718 USER MOD Single : A 125 GLN : amide:sc= -2.69 K(o=-2.7,f=-1.2) USER MOD Single : A 128 CYS SG : rot -112:sc= 1.34! USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl 140:sc= -0.291 (180deg=-1.05) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.205 -22.059 7.979 1.00 0.00 N ATOM 2 CA GLY A 1 3.927 -21.220 6.992 1.00 0.00 C ATOM 3 C GLY A 1 3.224 -19.903 6.748 1.00 0.00 C ATOM 4 O GLY A 1 2.596 -19.711 5.705 1.00 0.00 O ATOM 0 H1 GLY A 1 3.719 -22.952 8.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.141 -21.552 8.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.247 -22.262 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.939 -21.030 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.017 -21.763 6.051 1.00 0.00 H new ATOM 10 N ASP A 2 3.320 -18.991 7.712 1.00 0.00 N ATOM 11 CA ASP A 2 2.666 -17.687 7.619 1.00 0.00 C ATOM 12 C ASP A 2 3.700 -16.579 7.436 1.00 0.00 C ATOM 13 O ASP A 2 4.859 -16.722 7.837 1.00 0.00 O ATOM 14 CB ASP A 2 1.833 -17.406 8.883 1.00 0.00 C ATOM 15 CG ASP A 2 0.623 -18.321 9.025 1.00 0.00 C ATOM 16 OD1 ASP A 2 0.793 -19.482 9.451 1.00 0.00 O ATOM 17 OD2 ASP A 2 -0.509 -17.873 8.731 1.00 0.00 O ATOM 0 H ASP A 2 3.848 -19.132 8.573 1.00 0.00 H new ATOM 0 HA ASP A 2 2.005 -17.705 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.469 -17.518 9.761 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.496 -16.370 8.864 1.00 0.00 H new ATOM 22 N ILE A 3 3.277 -15.483 6.817 1.00 0.00 N ATOM 23 CA ILE A 3 4.104 -14.287 6.695 1.00 0.00 C ATOM 24 C ILE A 3 3.501 -13.169 7.549 1.00 0.00 C ATOM 25 O ILE A 3 4.030 -12.054 7.619 1.00 0.00 O ATOM 26 CB ILE A 3 4.230 -13.826 5.213 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.343 -12.769 5.061 1.00 0.00 C ATOM 28 CG2 ILE A 3 2.898 -13.279 4.699 1.00 0.00 C ATOM 29 CD1 ILE A 3 5.565 -12.310 3.634 1.00 0.00 C ATOM 0 H ILE A 3 2.356 -15.398 6.387 1.00 0.00 H new ATOM 0 HA ILE A 3 5.108 -14.523 7.049 1.00 0.00 H new ATOM 0 HB ILE A 3 4.498 -14.695 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.095 -11.904 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.275 -13.179 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.010 -12.963 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.137 -14.057 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.596 -12.426 5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.363 -11.568 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.845 -13.163 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.647 -11.868 3.247 1.00 0.00 H new ATOM 41 N ARG A 4 2.388 -13.497 8.216 1.00 0.00 N ATOM 42 CA ARG A 4 1.644 -12.545 9.042 1.00 0.00 C ATOM 43 C ARG A 4 2.559 -11.851 10.050 1.00 0.00 C ATOM 44 O ARG A 4 2.386 -10.668 10.339 1.00 0.00 O ATOM 45 CB ARG A 4 0.496 -13.253 9.783 1.00 0.00 C ATOM 46 CG ARG A 4 0.958 -14.229 10.866 1.00 0.00 C ATOM 47 CD ARG A 4 -0.215 -14.880 11.588 1.00 0.00 C ATOM 48 NE ARG A 4 -0.970 -15.779 10.713 1.00 0.00 N ATOM 49 CZ ARG A 4 -2.298 -15.785 10.598 1.00 0.00 C ATOM 50 NH1 ARG A 4 -3.036 -14.891 11.243 1.00 0.00 N ATOM 51 NH2 ARG A 4 -2.887 -16.682 9.823 1.00 0.00 N ATOM 0 H ARG A 4 1.979 -14.431 8.197 1.00 0.00 H new ATOM 0 HA ARG A 4 1.228 -11.788 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.147 -12.500 10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.111 -13.794 9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.580 -15.002 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.580 -13.700 11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.154 -15.438 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.879 -14.105 11.971 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.443 -16.448 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.588 -14.190 11.834 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.052 -14.904 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.325 -17.366 9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.903 -16.689 9.733 1.00 0.00 H new ATOM 65 N ASP A 5 3.529 -12.595 10.576 1.00 0.00 N ATOM 66 CA ASP A 5 4.483 -12.061 11.547 1.00 0.00 C ATOM 67 C ASP A 5 5.237 -10.879 10.955 1.00 0.00 C ATOM 68 O ASP A 5 5.316 -9.806 11.562 1.00 0.00 O ATOM 69 CB ASP A 5 5.476 -13.151 11.969 1.00 0.00 C ATOM 70 CG ASP A 5 4.785 -14.352 12.588 1.00 0.00 C ATOM 71 OD1 ASP A 5 4.156 -15.127 11.839 1.00 0.00 O ATOM 72 OD2 ASP A 5 4.853 -14.513 13.826 1.00 0.00 O ATOM 0 H ASP A 5 3.676 -13.577 10.344 1.00 0.00 H new ATOM 0 HA ASP A 5 3.930 -11.724 12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.050 -13.473 11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.186 -12.735 12.684 1.00 0.00 H new ATOM 77 N TYR A 6 5.772 -11.078 9.752 1.00 0.00 N ATOM 78 CA TYR A 6 6.501 -10.027 9.054 1.00 0.00 C ATOM 79 C TYR A 6 5.557 -8.878 8.729 1.00 0.00 C ATOM 80 O TYR A 6 5.867 -7.717 8.983 1.00 0.00 O ATOM 81 CB TYR A 6 7.131 -10.570 7.760 1.00 0.00 C ATOM 82 CG TYR A 6 7.855 -9.507 6.948 1.00 0.00 C ATOM 83 CD1 TYR A 6 7.169 -8.712 6.032 1.00 0.00 C ATOM 84 CD2 TYR A 6 9.219 -9.286 7.111 1.00 0.00 C ATOM 85 CE1 TYR A 6 7.817 -7.731 5.309 1.00 0.00 C ATOM 86 CE2 TYR A 6 9.874 -8.308 6.388 1.00 0.00 C ATOM 87 CZ TYR A 6 9.171 -7.533 5.490 1.00 0.00 C ATOM 88 OH TYR A 6 9.822 -6.556 4.773 1.00 0.00 O ATOM 0 H TYR A 6 5.713 -11.959 9.242 1.00 0.00 H new ATOM 0 HA TYR A 6 7.301 -9.668 9.702 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.833 -11.365 8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.350 -11.018 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.110 -8.866 5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.775 -9.889 7.814 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.268 -7.122 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.934 -8.151 6.526 1.00 0.00 H new ATOM 0 HH TYR A 6 10.770 -6.547 5.019 1.00 0.00 H new ATOM 98 N ASN A 7 4.399 -9.225 8.170 1.00 0.00 N ATOM 99 CA ASN A 7 3.378 -8.239 7.825 1.00 0.00 C ATOM 100 C ASN A 7 3.113 -7.305 9.002 1.00 0.00 C ATOM 101 O ASN A 7 3.362 -6.104 8.921 1.00 0.00 O ATOM 102 CB ASN A 7 2.065 -8.924 7.405 1.00 0.00 C ATOM 103 CG ASN A 7 2.070 -9.454 5.977 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.034 -9.455 5.315 1.00 0.00 O ATOM 105 ND2 ASN A 7 3.219 -9.908 5.488 1.00 0.00 N ATOM 0 H ASN A 7 4.144 -10.187 7.946 1.00 0.00 H new ATOM 0 HA ASN A 7 3.753 -7.657 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.864 -9.750 8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.246 -8.214 7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.260 -10.272 4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.060 -9.893 6.065 1.00 0.00 H new ATOM 112 N ASP A 8 2.645 -7.879 10.102 1.00 0.00 N ATOM 113 CA ASP A 8 2.269 -7.111 11.286 1.00 0.00 C ATOM 114 C ASP A 8 3.442 -6.279 11.803 1.00 0.00 C ATOM 115 O ASP A 8 3.350 -5.049 11.907 1.00 0.00 O ATOM 116 CB ASP A 8 1.770 -8.062 12.386 1.00 0.00 C ATOM 117 CG ASP A 8 1.275 -7.327 13.623 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.109 -6.872 13.621 1.00 0.00 O ATOM 119 OD2 ASP A 8 2.038 -7.215 14.607 1.00 0.00 O ATOM 0 H ASP A 8 2.515 -8.886 10.201 1.00 0.00 H new ATOM 0 HA ASP A 8 1.469 -6.425 11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.964 -8.678 11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.577 -8.737 12.669 1.00 0.00 H new ATOM 124 N ALA A 9 4.551 -6.954 12.104 1.00 0.00 N ATOM 125 CA ALA A 9 5.720 -6.306 12.695 1.00 0.00 C ATOM 126 C ALA A 9 6.271 -5.206 11.789 1.00 0.00 C ATOM 127 O ALA A 9 6.287 -4.026 12.160 1.00 0.00 O ATOM 128 CB ALA A 9 6.801 -7.340 12.997 1.00 0.00 C ATOM 0 H ALA A 9 4.664 -7.955 11.947 1.00 0.00 H new ATOM 0 HA ALA A 9 5.406 -5.838 13.628 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.666 -6.844 13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.412 -8.079 13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.098 -7.836 12.073 1.00 0.00 H new ATOM 134 N ASP A 10 6.696 -5.602 10.593 1.00 0.00 N ATOM 135 CA ASP A 10 7.348 -4.687 9.655 1.00 0.00 C ATOM 136 C ASP A 10 6.429 -3.527 9.289 1.00 0.00 C ATOM 137 O ASP A 10 6.794 -2.365 9.474 1.00 0.00 O ATOM 138 CB ASP A 10 7.787 -5.432 8.387 1.00 0.00 C ATOM 139 CG ASP A 10 8.412 -4.508 7.344 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.480 -3.922 7.632 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.846 -4.385 6.236 1.00 0.00 O ATOM 0 H ASP A 10 6.601 -6.557 10.247 1.00 0.00 H new ATOM 0 HA ASP A 10 8.232 -4.282 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.505 -6.206 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.925 -5.935 7.950 1.00 0.00 H new ATOM 146 N MET A 11 5.226 -3.844 8.804 1.00 0.00 N ATOM 147 CA MET A 11 4.297 -2.814 8.345 1.00 0.00 C ATOM 148 C MET A 11 3.987 -1.822 9.464 1.00 0.00 C ATOM 149 O MET A 11 4.140 -0.614 9.290 1.00 0.00 O ATOM 150 CB MET A 11 2.991 -3.437 7.825 1.00 0.00 C ATOM 151 CG MET A 11 3.138 -4.286 6.560 1.00 0.00 C ATOM 152 SD MET A 11 3.044 -3.328 5.028 1.00 0.00 S ATOM 153 CE MET A 11 4.664 -2.563 4.965 1.00 0.00 C ATOM 0 H MET A 11 4.876 -4.798 8.720 1.00 0.00 H new ATOM 0 HA MET A 11 4.779 -2.281 7.525 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.563 -4.057 8.613 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.278 -2.637 7.626 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.094 -4.809 6.593 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.358 -5.047 6.551 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.916 -2.329 3.931 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.656 -1.645 5.553 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.406 -3.249 5.373 1.00 0.00 H new ATOM 163 N ALA A 12 3.576 -2.333 10.624 1.00 0.00 N ATOM 164 CA ALA A 12 3.177 -1.468 11.733 1.00 0.00 C ATOM 165 C ALA A 12 4.324 -0.552 12.163 1.00 0.00 C ATOM 166 O ALA A 12 4.156 0.665 12.281 1.00 0.00 O ATOM 167 CB ALA A 12 2.686 -2.296 12.916 1.00 0.00 C ATOM 0 H ALA A 12 3.511 -3.332 10.819 1.00 0.00 H new ATOM 0 HA ALA A 12 2.357 -0.841 11.384 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.395 -1.631 13.729 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.827 -2.894 12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.485 -2.956 13.255 1.00 0.00 H new ATOM 173 N ARG A 13 5.491 -1.142 12.386 1.00 0.00 N ATOM 174 CA ARG A 13 6.640 -0.385 12.881 1.00 0.00 C ATOM 175 C ARG A 13 7.306 0.439 11.776 1.00 0.00 C ATOM 176 O ARG A 13 8.135 1.304 12.060 1.00 0.00 O ATOM 177 CB ARG A 13 7.647 -1.312 13.567 1.00 0.00 C ATOM 178 CG ARG A 13 7.055 -2.029 14.779 1.00 0.00 C ATOM 179 CD ARG A 13 8.124 -2.609 15.695 1.00 0.00 C ATOM 180 NE ARG A 13 7.535 -3.301 16.842 1.00 0.00 N ATOM 181 CZ ARG A 13 7.032 -2.691 17.921 1.00 0.00 C ATOM 182 NH1 ARG A 13 7.028 -1.367 18.015 1.00 0.00 N ATOM 183 NH2 ARG A 13 6.520 -3.411 18.907 1.00 0.00 N ATOM 0 H ARG A 13 5.669 -2.135 12.234 1.00 0.00 H new ATOM 0 HA ARG A 13 6.268 0.323 13.622 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.002 -2.052 12.849 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.514 -0.731 13.881 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.437 -1.331 15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.400 -2.831 14.438 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.748 -3.303 15.132 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.775 -1.809 16.047 1.00 0.00 H new ATOM 0 HE ARG A 13 7.506 -4.320 16.817 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.412 -0.801 17.258 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.641 -0.916 18.844 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.510 -4.429 18.843 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.136 -2.948 19.731 1.00 0.00 H new ATOM 197 N LEU A 14 6.939 0.177 10.525 1.00 0.00 N ATOM 198 CA LEU A 14 7.379 1.012 9.408 1.00 0.00 C ATOM 199 C LEU A 14 6.518 2.270 9.340 1.00 0.00 C ATOM 200 O LEU A 14 7.025 3.397 9.326 1.00 0.00 O ATOM 201 CB LEU A 14 7.292 0.240 8.082 1.00 0.00 C ATOM 202 CG LEU A 14 7.594 1.058 6.814 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.990 1.673 6.879 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.443 0.189 5.565 1.00 0.00 C ATOM 0 H LEU A 14 6.340 -0.604 10.258 1.00 0.00 H new ATOM 0 HA LEU A 14 8.420 1.293 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.986 -0.599 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.290 -0.179 7.992 1.00 0.00 H new ATOM 0 HG LEU A 14 6.871 1.872 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.178 2.246 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.057 2.332 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.733 0.880 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.661 0.785 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.138 -0.649 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.422 -0.189 5.506 1.00 0.00 H new ATOM 216 N LEU A 15 5.203 2.069 9.326 1.00 0.00 N ATOM 217 CA LEU A 15 4.255 3.175 9.255 1.00 0.00 C ATOM 218 C LEU A 15 4.220 3.941 10.573 1.00 0.00 C ATOM 219 O LEU A 15 3.705 5.056 10.632 1.00 0.00 O ATOM 220 CB LEU A 15 2.851 2.677 8.871 1.00 0.00 C ATOM 221 CG LEU A 15 2.667 2.301 7.387 1.00 0.00 C ATOM 222 CD1 LEU A 15 3.034 3.474 6.484 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.490 1.070 7.017 1.00 0.00 C ATOM 0 H LEU A 15 4.769 1.147 9.363 1.00 0.00 H new ATOM 0 HA LEU A 15 4.591 3.857 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.613 1.806 9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.127 3.451 9.125 1.00 0.00 H new ATOM 0 HG LEU A 15 1.615 2.059 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.897 3.187 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.392 4.325 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.075 3.750 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.337 0.833 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.546 1.272 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.175 0.225 7.629 1.00 0.00 H new ATOM 235 N GLU A 16 4.768 3.333 11.626 1.00 0.00 N ATOM 236 CA GLU A 16 4.973 4.017 12.904 1.00 0.00 C ATOM 237 C GLU A 16 5.668 5.363 12.665 1.00 0.00 C ATOM 238 O GLU A 16 5.295 6.393 13.234 1.00 0.00 O ATOM 239 CB GLU A 16 5.838 3.146 13.827 1.00 0.00 C ATOM 240 CG GLU A 16 5.932 3.650 15.264 1.00 0.00 C ATOM 241 CD GLU A 16 4.694 3.322 16.083 1.00 0.00 C ATOM 242 OE1 GLU A 16 3.698 4.068 15.997 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.714 2.304 16.814 1.00 0.00 O ATOM 0 H GLU A 16 5.080 2.362 11.618 1.00 0.00 H new ATOM 0 HA GLU A 16 4.006 4.190 13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.433 2.134 13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.843 3.084 13.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.807 3.209 15.743 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.082 4.730 15.257 1.00 0.00 H new ATOM 250 N GLN A 17 6.674 5.331 11.794 1.00 0.00 N ATOM 251 CA GLN A 17 7.434 6.522 11.434 1.00 0.00 C ATOM 252 C GLN A 17 6.524 7.558 10.781 1.00 0.00 C ATOM 253 O GLN A 17 6.553 8.738 11.129 1.00 0.00 O ATOM 254 CB GLN A 17 8.580 6.135 10.489 1.00 0.00 C ATOM 255 CG GLN A 17 9.475 7.299 10.079 1.00 0.00 C ATOM 256 CD GLN A 17 10.667 6.862 9.238 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.734 7.474 9.298 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.499 5.810 8.445 1.00 0.00 N ATOM 0 H GLN A 17 6.983 4.482 11.321 1.00 0.00 H new ATOM 0 HA GLN A 17 7.855 6.964 12.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.192 5.374 10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.158 5.683 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.886 8.023 9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.835 7.807 10.974 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.601 5.327 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.268 5.485 7.860 1.00 0.00 H new ATOM 267 N TRP A 18 5.693 7.093 9.851 1.00 0.00 N ATOM 268 CA TRP A 18 4.759 7.960 9.139 1.00 0.00 C ATOM 269 C TRP A 18 3.763 8.589 10.114 1.00 0.00 C ATOM 270 O TRP A 18 3.375 9.749 9.959 1.00 0.00 O ATOM 271 CB TRP A 18 4.018 7.162 8.056 1.00 0.00 C ATOM 272 CG TRP A 18 4.905 6.689 6.937 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.975 5.840 7.028 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.789 7.034 5.553 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.526 5.639 5.788 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.817 6.360 4.867 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.915 7.847 4.829 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.993 6.476 3.493 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.091 7.960 3.465 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.122 7.276 2.808 1.00 0.00 C ATOM 0 H TRP A 18 5.648 6.113 9.572 1.00 0.00 H new ATOM 0 HA TRP A 18 5.322 8.761 8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.539 6.298 8.518 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.224 7.782 7.640 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.333 5.393 7.944 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.333 5.048 5.586 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.117 8.377 5.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.790 5.953 2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.422 8.587 2.894 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.231 7.383 1.739 1.00 0.00 H new ATOM 291 N GLU A 19 3.350 7.808 11.113 1.00 0.00 N ATOM 292 CA GLU A 19 2.492 8.306 12.187 1.00 0.00 C ATOM 293 C GLU A 19 3.191 9.434 12.933 1.00 0.00 C ATOM 294 O GLU A 19 2.580 10.462 13.242 1.00 0.00 O ATOM 295 CB GLU A 19 2.118 7.172 13.162 1.00 0.00 C ATOM 296 CG GLU A 19 0.840 6.426 12.788 1.00 0.00 C ATOM 297 CD GLU A 19 -0.410 7.268 13.012 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.802 8.021 12.098 1.00 0.00 O ATOM 299 OE2 GLU A 19 -1.005 7.182 14.109 1.00 0.00 O ATOM 0 H GLU A 19 3.598 6.822 11.200 1.00 0.00 H new ATOM 0 HA GLU A 19 1.573 8.689 11.743 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.942 6.460 13.207 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.003 7.590 14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.890 6.126 11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.770 5.512 13.378 1.00 0.00 H new ATOM 306 N LYS A 20 4.477 9.239 13.214 1.00 0.00 N ATOM 307 CA LYS A 20 5.253 10.249 13.913 1.00 0.00 C ATOM 308 C LYS A 20 5.305 11.542 13.098 1.00 0.00 C ATOM 309 O LYS A 20 4.995 12.608 13.615 1.00 0.00 O ATOM 310 CB LYS A 20 6.670 9.749 14.233 1.00 0.00 C ATOM 311 CG LYS A 20 7.482 10.749 15.053 1.00 0.00 C ATOM 312 CD LYS A 20 8.801 10.173 15.563 1.00 0.00 C ATOM 313 CE LYS A 20 9.532 11.181 16.448 1.00 0.00 C ATOM 314 NZ LYS A 20 10.781 10.623 17.026 1.00 0.00 N ATOM 0 H LYS A 20 4.997 8.396 12.969 1.00 0.00 H new ATOM 0 HA LYS A 20 4.756 10.455 14.861 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.603 8.808 14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.195 9.540 13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.688 11.628 14.443 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.886 11.083 15.902 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.610 9.260 16.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.433 9.899 14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.770 12.069 15.863 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.871 11.499 17.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.241 11.343 17.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.553 9.791 17.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.424 10.344 16.258 1.00 0.00 H new ATOM 328 N ASP A 21 5.671 11.434 11.818 1.00 0.00 N ATOM 329 CA ASP A 21 5.751 12.602 10.927 1.00 0.00 C ATOM 330 C ASP A 21 4.425 13.357 10.875 1.00 0.00 C ATOM 331 O ASP A 21 4.393 14.586 10.984 1.00 0.00 O ATOM 332 CB ASP A 21 6.160 12.181 9.506 1.00 0.00 C ATOM 333 CG ASP A 21 7.662 12.000 9.357 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.171 10.904 9.673 1.00 0.00 O ATOM 335 OD2 ASP A 21 8.339 12.962 8.930 1.00 0.00 O ATOM 0 H ASP A 21 5.917 10.550 11.372 1.00 0.00 H new ATOM 0 HA ASP A 21 6.512 13.266 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.659 11.248 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.817 12.933 8.796 1.00 0.00 H new ATOM 340 N ASP A 22 3.337 12.613 10.708 1.00 0.00 N ATOM 341 CA ASP A 22 1.995 13.195 10.656 1.00 0.00 C ATOM 342 C ASP A 22 1.708 13.989 11.935 1.00 0.00 C ATOM 343 O ASP A 22 1.294 15.156 11.882 1.00 0.00 O ATOM 344 CB ASP A 22 0.952 12.077 10.434 1.00 0.00 C ATOM 345 CG ASP A 22 -0.493 12.544 10.549 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.008 12.647 11.683 1.00 0.00 O ATOM 347 OD2 ASP A 22 -1.131 12.776 9.503 1.00 0.00 O ATOM 0 H ASP A 22 3.356 11.598 10.605 1.00 0.00 H new ATOM 0 HA ASP A 22 1.932 13.890 9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.105 11.643 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.125 11.283 11.161 1.00 0.00 H new ATOM 352 N ASP A 23 1.978 13.375 13.085 1.00 0.00 N ATOM 353 CA ASP A 23 1.721 14.017 14.377 1.00 0.00 C ATOM 354 C ASP A 23 2.719 15.150 14.637 1.00 0.00 C ATOM 355 O ASP A 23 2.401 16.130 15.313 1.00 0.00 O ATOM 356 CB ASP A 23 1.760 12.988 15.515 1.00 0.00 C ATOM 357 CG ASP A 23 1.162 13.529 16.808 1.00 0.00 C ATOM 358 OD1 ASP A 23 -0.019 13.935 16.794 1.00 0.00 O ATOM 359 OD2 ASP A 23 1.851 13.517 17.851 1.00 0.00 O ATOM 0 H ASP A 23 2.373 12.437 13.151 1.00 0.00 H new ATOM 0 HA ASP A 23 0.721 14.450 14.342 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.215 12.094 15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.792 12.687 15.693 1.00 0.00 H new ATOM 364 N ILE A 24 3.922 15.025 14.076 1.00 0.00 N ATOM 365 CA ILE A 24 4.926 16.084 14.170 1.00 0.00 C ATOM 366 C ILE A 24 4.428 17.327 13.442 1.00 0.00 C ATOM 367 O ILE A 24 4.564 18.445 13.941 1.00 0.00 O ATOM 368 CB ILE A 24 6.305 15.655 13.590 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.989 14.638 14.519 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.211 16.870 13.368 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.329 14.145 14.010 1.00 0.00 C ATOM 0 H ILE A 24 4.224 14.203 13.553 1.00 0.00 H new ATOM 0 HA ILE A 24 5.073 16.297 15.229 1.00 0.00 H new ATOM 0 HB ILE A 24 6.131 15.182 12.624 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.129 15.093 15.499 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.327 13.783 14.656 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.168 16.541 12.962 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.735 17.555 12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.375 17.380 14.317 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.748 13.432 14.720 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.195 13.659 13.044 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.009 14.989 13.900 1.00 0.00 H new ATOM 383 N GLU A 25 3.833 17.123 12.269 1.00 0.00 N ATOM 384 CA GLU A 25 3.269 18.226 11.496 1.00 0.00 C ATOM 385 C GLU A 25 2.027 18.773 12.195 1.00 0.00 C ATOM 386 O GLU A 25 1.675 19.947 12.036 1.00 0.00 O ATOM 387 CB GLU A 25 2.928 17.774 10.073 1.00 0.00 C ATOM 388 CG GLU A 25 2.416 18.899 9.173 1.00 0.00 C ATOM 389 CD GLU A 25 3.461 19.960 8.846 1.00 0.00 C ATOM 390 OE1 GLU A 25 4.670 19.711 9.046 1.00 0.00 O ATOM 391 OE2 GLU A 25 3.077 21.038 8.347 1.00 0.00 O ATOM 0 H GLU A 25 3.729 16.206 11.834 1.00 0.00 H new ATOM 0 HA GLU A 25 4.014 19.019 11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.816 17.334 9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.173 16.989 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.050 18.466 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.566 19.379 9.658 1.00 0.00 H new ATOM 398 N GLU A 26 1.357 17.917 12.971 1.00 0.00 N ATOM 399 CA GLU A 26 0.288 18.378 13.859 1.00 0.00 C ATOM 400 C GLU A 26 0.863 19.384 14.863 1.00 0.00 C ATOM 401 O GLU A 26 0.141 20.179 15.467 1.00 0.00 O ATOM 402 CB GLU A 26 -0.376 17.199 14.586 1.00 0.00 C ATOM 403 CG GLU A 26 -1.610 17.591 15.393 1.00 0.00 C ATOM 404 CD GLU A 26 -2.708 18.192 14.527 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.627 19.395 14.196 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.655 17.465 14.167 1.00 0.00 O ATOM 0 H GLU A 26 1.533 16.913 13.003 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.482 18.866 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.658 16.444 13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.352 16.739 15.254 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.998 16.712 15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.324 18.309 16.161 1.00 0.00 H new ATOM 413 N GLY A 27 2.185 19.349 14.996 1.00 0.00 N ATOM 414 CA GLY A 27 2.906 20.329 15.783 1.00 0.00 C ATOM 415 C GLY A 27 3.129 19.886 17.210 1.00 0.00 C ATOM 416 O GLY A 27 3.112 20.703 18.137 1.00 0.00 O ATOM 0 H GLY A 27 2.779 18.643 14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.870 20.527 15.314 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.352 21.268 15.781 1.00 0.00 H new ATOM 420 N ASP A 28 3.346 18.588 17.388 1.00 0.00 N ATOM 421 CA ASP A 28 3.676 18.030 18.692 1.00 0.00 C ATOM 422 C ASP A 28 4.416 16.710 18.513 1.00 0.00 C ATOM 423 O ASP A 28 4.111 15.942 17.601 1.00 0.00 O ATOM 424 CB ASP A 28 2.406 17.818 19.527 1.00 0.00 C ATOM 425 CG ASP A 28 2.715 17.502 20.981 1.00 0.00 C ATOM 426 OD1 ASP A 28 2.870 16.316 21.326 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.802 18.449 21.793 1.00 0.00 O ATOM 0 H ASP A 28 3.298 17.898 16.638 1.00 0.00 H new ATOM 0 HA ASP A 28 4.319 18.733 19.222 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.787 18.714 19.476 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.823 17.003 19.097 1.00 0.00 H new ATOM 432 N LEU A 29 5.406 16.463 19.361 1.00 0.00 N ATOM 433 CA LEU A 29 6.185 15.229 19.296 1.00 0.00 C ATOM 434 C LEU A 29 5.420 14.077 19.953 1.00 0.00 C ATOM 435 O LEU A 29 5.117 14.128 21.147 1.00 0.00 O ATOM 436 CB LEU A 29 7.555 15.410 19.976 1.00 0.00 C ATOM 437 CG LEU A 29 8.567 16.306 19.230 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.073 17.747 19.127 1.00 0.00 C ATOM 439 CD2 LEU A 29 9.934 16.253 19.912 1.00 0.00 C ATOM 0 H LEU A 29 5.691 17.101 20.104 1.00 0.00 H new ATOM 0 HA LEU A 29 6.350 14.988 18.246 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.393 15.828 20.970 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.003 14.426 20.113 1.00 0.00 H new ATOM 0 HG LEU A 29 8.667 15.919 18.216 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.811 18.348 18.596 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.128 17.770 18.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.926 18.154 20.128 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.635 16.890 19.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.842 16.604 20.940 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.302 15.227 19.910 1.00 0.00 H new ATOM 451 N LEU A 62 -5.573 8.124 3.979 1.00 0.00 N ATOM 452 CA LEU A 62 -5.721 7.082 2.972 1.00 0.00 C ATOM 453 C LEU A 62 -4.367 6.452 2.662 1.00 0.00 C ATOM 454 O LEU A 62 -3.552 7.017 1.933 1.00 0.00 O ATOM 455 CB LEU A 62 -6.367 7.663 1.698 1.00 0.00 C ATOM 456 CG LEU A 62 -6.978 6.639 0.715 1.00 0.00 C ATOM 457 CD1 LEU A 62 -5.904 5.809 0.010 1.00 0.00 C ATOM 458 CD2 LEU A 62 -7.965 5.725 1.440 1.00 0.00 C ATOM 0 HA LEU A 62 -6.376 6.302 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.150 8.359 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.613 8.242 1.165 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.511 7.203 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.379 5.103 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.245 6.470 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.322 5.262 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.386 5.010 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.447 5.188 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.767 6.324 1.871 1.00 0.00 H new ATOM 470 N MET A 63 -4.127 5.288 3.250 1.00 0.00 N ATOM 471 CA MET A 63 -2.958 4.471 2.936 1.00 0.00 C ATOM 472 C MET A 63 -3.419 3.022 2.880 1.00 0.00 C ATOM 473 O MET A 63 -4.139 2.569 3.772 1.00 0.00 O ATOM 474 CB MET A 63 -1.847 4.639 3.989 1.00 0.00 C ATOM 475 CG MET A 63 -1.637 6.082 4.444 1.00 0.00 C ATOM 476 SD MET A 63 -0.382 6.246 5.733 1.00 0.00 S ATOM 477 CE MET A 63 1.074 5.674 4.866 1.00 0.00 C ATOM 0 H MET A 63 -4.737 4.881 3.959 1.00 0.00 H new ATOM 0 HA MET A 63 -2.535 4.785 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.088 4.026 4.858 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.911 4.258 3.580 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.348 6.688 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.582 6.481 4.813 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.958 5.865 5.474 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.988 4.604 4.677 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.165 6.204 3.918 1.00 0.00 H new ATOM 487 N MET A 64 -3.030 2.308 1.834 1.00 0.00 N ATOM 488 CA MET A 64 -3.572 0.977 1.577 1.00 0.00 C ATOM 489 C MET A 64 -2.500 -0.102 1.644 1.00 0.00 C ATOM 490 O MET A 64 -1.474 -0.026 0.966 1.00 0.00 O ATOM 491 CB MET A 64 -4.255 0.938 0.202 1.00 0.00 C ATOM 492 CG MET A 64 -5.474 1.845 0.093 1.00 0.00 C ATOM 493 SD MET A 64 -6.322 1.696 -1.492 1.00 0.00 S ATOM 494 CE MET A 64 -7.683 2.835 -1.249 1.00 0.00 C ATOM 0 H MET A 64 -2.343 2.625 1.150 1.00 0.00 H new ATOM 0 HA MET A 64 -4.303 0.771 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.531 1.225 -0.561 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.556 -0.087 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.171 1.606 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.164 2.880 0.238 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.626 2.290 -1.292 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.586 3.316 -0.276 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.667 3.593 -2.032 1.00 0.00 H new ATOM 504 N PHE A 65 -2.748 -1.099 2.481 1.00 0.00 N ATOM 505 CA PHE A 65 -1.967 -2.328 2.486 1.00 0.00 C ATOM 506 C PHE A 65 -2.697 -3.349 1.625 1.00 0.00 C ATOM 507 O PHE A 65 -3.858 -3.665 1.896 1.00 0.00 O ATOM 508 CB PHE A 65 -1.815 -2.868 3.914 1.00 0.00 C ATOM 509 CG PHE A 65 -1.233 -1.879 4.890 1.00 0.00 C ATOM 510 CD1 PHE A 65 0.130 -1.618 4.905 1.00 0.00 C ATOM 511 CD2 PHE A 65 -2.047 -1.219 5.800 1.00 0.00 C ATOM 512 CE1 PHE A 65 0.665 -0.718 5.804 1.00 0.00 C ATOM 513 CE2 PHE A 65 -1.513 -0.320 6.701 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.157 -0.068 6.705 1.00 0.00 C ATOM 0 H PHE A 65 -3.495 -1.079 3.175 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.969 -2.133 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.793 -3.186 4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.180 -3.754 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.779 -2.125 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.110 -1.411 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.727 -0.521 5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.158 0.187 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.261 0.635 7.410 1.00 0.00 H new ATOM 524 N VAL A 66 -2.042 -3.856 0.588 1.00 0.00 N ATOM 525 CA VAL A 66 -2.701 -4.741 -0.362 1.00 0.00 C ATOM 526 C VAL A 66 -2.056 -6.123 -0.345 1.00 0.00 C ATOM 527 O VAL A 66 -0.943 -6.306 -0.845 1.00 0.00 O ATOM 528 CB VAL A 66 -2.644 -4.171 -1.804 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.439 -5.049 -2.771 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.144 -2.727 -1.836 1.00 0.00 C ATOM 0 H VAL A 66 -1.060 -3.670 0.385 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.745 -4.820 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.604 -4.175 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.383 -4.628 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.021 -6.056 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.481 -5.090 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.095 -2.348 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.175 -2.691 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.519 -2.111 -1.190 1.00 0.00 H new ATOM 540 N THR A 67 -2.748 -7.083 0.255 1.00 0.00 N ATOM 541 CA THR A 67 -2.319 -8.470 0.217 1.00 0.00 C ATOM 542 C THR A 67 -2.717 -9.063 -1.131 1.00 0.00 C ATOM 543 O THR A 67 -3.874 -9.435 -1.343 1.00 0.00 O ATOM 544 CB THR A 67 -2.944 -9.287 1.370 1.00 0.00 C ATOM 545 OG1 THR A 67 -2.579 -8.700 2.630 1.00 0.00 O ATOM 546 CG2 THR A 67 -2.489 -10.744 1.333 1.00 0.00 C ATOM 0 H THR A 67 -3.611 -6.923 0.775 1.00 0.00 H new ATOM 0 HA THR A 67 -1.237 -8.512 0.342 1.00 0.00 H new ATOM 0 HB THR A 67 -4.027 -9.268 1.250 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.978 -9.218 3.360 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.948 -11.289 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.790 -11.195 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.404 -10.789 1.427 1.00 0.00 H new ATOM 554 N VAL A 68 -1.761 -9.108 -2.049 1.00 0.00 N ATOM 555 CA VAL A 68 -2.044 -9.490 -3.425 1.00 0.00 C ATOM 556 C VAL A 68 -2.150 -11.002 -3.553 1.00 0.00 C ATOM 557 O VAL A 68 -3.187 -11.538 -3.944 1.00 0.00 O ATOM 558 CB VAL A 68 -0.943 -8.972 -4.386 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.323 -9.227 -5.847 1.00 0.00 C ATOM 560 CG2 VAL A 68 -0.662 -7.492 -4.142 1.00 0.00 C ATOM 0 H VAL A 68 -0.783 -8.885 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.996 -9.037 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.028 -9.527 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.533 -8.854 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.451 -10.297 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.256 -8.712 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.114 -7.151 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.572 -6.916 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.326 -7.350 -3.115 1.00 0.00 H new ATOM 570 N SER A 69 -1.066 -11.680 -3.217 1.00 0.00 N ATOM 571 CA SER A 69 -0.964 -13.117 -3.417 1.00 0.00 C ATOM 572 C SER A 69 -1.400 -13.899 -2.181 1.00 0.00 C ATOM 573 O SER A 69 -2.317 -14.722 -2.244 1.00 0.00 O ATOM 574 CB SER A 69 0.474 -13.476 -3.792 1.00 0.00 C ATOM 575 OG SER A 69 0.616 -14.861 -4.030 1.00 0.00 O ATOM 0 H SER A 69 -0.237 -11.255 -2.801 1.00 0.00 H new ATOM 0 HA SER A 69 -1.639 -13.395 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.768 -12.921 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.147 -13.173 -2.990 1.00 0.00 H new ATOM 0 HG SER A 69 1.454 -15.026 -4.510 1.00 0.00 H new ATOM 581 N GLY A 70 -0.752 -13.623 -1.055 1.00 0.00 N ATOM 582 CA GLY A 70 -0.883 -14.477 0.113 1.00 0.00 C ATOM 583 C GLY A 70 0.038 -15.683 0.014 1.00 0.00 C ATOM 584 O GLY A 70 -0.080 -16.638 0.785 1.00 0.00 O ATOM 0 H GLY A 70 -0.136 -12.820 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.647 -13.908 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.916 -14.811 0.209 1.00 0.00 H new ATOM 588 N ASN A 71 0.950 -15.632 -0.960 1.00 0.00 N ATOM 589 CA ASN A 71 1.903 -16.711 -1.221 1.00 0.00 C ATOM 590 C ASN A 71 3.334 -16.151 -1.216 1.00 0.00 C ATOM 591 O ASN A 71 3.588 -15.097 -1.795 1.00 0.00 O ATOM 592 CB ASN A 71 1.564 -17.387 -2.560 1.00 0.00 C ATOM 593 CG ASN A 71 2.584 -18.431 -2.980 1.00 0.00 C ATOM 594 OD1 ASN A 71 2.514 -19.592 -2.576 1.00 0.00 O ATOM 595 ND2 ASN A 71 3.525 -18.032 -3.811 1.00 0.00 N ATOM 0 H ASN A 71 1.048 -14.837 -1.592 1.00 0.00 H new ATOM 0 HA ASN A 71 1.835 -17.465 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.583 -17.857 -2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.493 -16.625 -3.336 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.228 -18.693 -4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.551 -17.062 -4.124 1.00 0.00 H new ATOM 602 N PRO A 72 4.282 -16.859 -0.563 1.00 0.00 N ATOM 603 CA PRO A 72 5.639 -16.343 -0.263 1.00 0.00 C ATOM 604 C PRO A 72 6.502 -15.940 -1.475 1.00 0.00 C ATOM 605 O PRO A 72 7.507 -15.249 -1.293 1.00 0.00 O ATOM 606 CB PRO A 72 6.304 -17.501 0.508 1.00 0.00 C ATOM 607 CG PRO A 72 5.520 -18.710 0.130 1.00 0.00 C ATOM 608 CD PRO A 72 4.108 -18.231 -0.041 1.00 0.00 C ATOM 0 HA PRO A 72 5.554 -15.404 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.353 -17.608 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.272 -17.329 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.899 -19.152 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.584 -19.477 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.550 -18.859 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.563 -18.237 0.903 1.00 0.00 H new ATOM 616 N THR A 73 6.162 -16.372 -2.690 1.00 0.00 N ATOM 617 CA THR A 73 7.047 -16.131 -3.835 1.00 0.00 C ATOM 618 C THR A 73 7.095 -14.641 -4.229 1.00 0.00 C ATOM 619 O THR A 73 6.338 -13.820 -3.709 1.00 0.00 O ATOM 620 CB THR A 73 6.696 -17.029 -5.054 1.00 0.00 C ATOM 621 OG1 THR A 73 5.287 -17.153 -5.192 1.00 0.00 O ATOM 622 CG2 THR A 73 7.311 -18.418 -4.917 1.00 0.00 C ATOM 0 H THR A 73 5.303 -16.878 -2.906 1.00 0.00 H new ATOM 0 HA THR A 73 8.048 -16.412 -3.509 1.00 0.00 H new ATOM 0 HB THR A 73 7.110 -16.549 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.083 -17.720 -5.964 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.046 -19.020 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.396 -18.331 -4.853 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.931 -18.897 -4.014 1.00 0.00 H new ATOM 630 N GLU A 74 8.000 -14.317 -5.155 1.00 0.00 N ATOM 631 CA GLU A 74 8.362 -12.925 -5.462 1.00 0.00 C ATOM 632 C GLU A 74 7.685 -12.442 -6.747 1.00 0.00 C ATOM 633 O GLU A 74 7.509 -11.234 -6.964 1.00 0.00 O ATOM 634 CB GLU A 74 9.894 -12.778 -5.613 1.00 0.00 C ATOM 635 CG GLU A 74 10.721 -13.839 -4.880 1.00 0.00 C ATOM 636 CD GLU A 74 10.789 -15.163 -5.636 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.598 -15.278 -6.579 1.00 0.00 O ATOM 638 OE2 GLU A 74 10.027 -16.095 -5.301 1.00 0.00 O ATOM 0 H GLU A 74 8.503 -15.007 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 74 8.016 -12.312 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.144 -12.812 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.187 -11.794 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.732 -13.462 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.290 -14.011 -3.894 1.00 0.00 H new ATOM 645 N LYS A 75 7.308 -13.398 -7.590 1.00 0.00 N ATOM 646 CA LYS A 75 6.844 -13.110 -8.947 1.00 0.00 C ATOM 647 C LYS A 75 5.601 -12.230 -8.913 1.00 0.00 C ATOM 648 O LYS A 75 5.548 -11.181 -9.557 1.00 0.00 O ATOM 649 CB LYS A 75 6.549 -14.419 -9.705 1.00 0.00 C ATOM 650 CG LYS A 75 7.772 -15.315 -9.934 1.00 0.00 C ATOM 651 CD LYS A 75 8.239 -16.024 -8.660 1.00 0.00 C ATOM 652 CE LYS A 75 9.483 -16.873 -8.913 1.00 0.00 C ATOM 653 NZ LYS A 75 9.925 -17.601 -7.692 1.00 0.00 N ATOM 0 H LYS A 75 7.314 -14.391 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 75 7.634 -12.573 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.800 -14.984 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.110 -14.172 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.533 -16.061 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.590 -14.711 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.453 -15.284 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.437 -16.657 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.276 -17.591 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.292 -16.233 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.960 -17.701 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.638 -17.067 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.486 -18.544 -7.672 1.00 0.00 H new ATOM 667 N GLU A 76 4.623 -12.673 -8.137 1.00 0.00 N ATOM 668 CA GLU A 76 3.359 -11.970 -7.963 1.00 0.00 C ATOM 669 C GLU A 76 3.573 -10.482 -7.681 1.00 0.00 C ATOM 670 O GLU A 76 3.166 -9.640 -8.480 1.00 0.00 O ATOM 671 CB GLU A 76 2.535 -12.618 -6.831 1.00 0.00 C ATOM 672 CG GLU A 76 3.348 -13.027 -5.604 1.00 0.00 C ATOM 673 CD GLU A 76 3.821 -14.470 -5.679 1.00 0.00 C ATOM 674 OE1 GLU A 76 4.853 -14.736 -6.329 1.00 0.00 O ATOM 675 OE2 GLU A 76 3.150 -15.355 -5.107 1.00 0.00 O ATOM 0 H GLU A 76 4.685 -13.540 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 76 2.805 -12.052 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.759 -11.919 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.030 -13.500 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.211 -12.369 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.742 -12.892 -4.708 1.00 0.00 H new ATOM 682 N THR A 77 4.230 -10.164 -6.565 1.00 0.00 N ATOM 683 CA THR A 77 4.387 -8.774 -6.144 1.00 0.00 C ATOM 684 C THR A 77 5.156 -7.969 -7.194 1.00 0.00 C ATOM 685 O THR A 77 4.762 -6.852 -7.538 1.00 0.00 O ATOM 686 CB THR A 77 5.082 -8.658 -4.760 1.00 0.00 C ATOM 687 OG1 THR A 77 5.015 -7.307 -4.281 1.00 0.00 O ATOM 688 CG2 THR A 77 6.543 -9.102 -4.814 1.00 0.00 C ATOM 0 H THR A 77 4.659 -10.847 -5.940 1.00 0.00 H new ATOM 0 HA THR A 77 3.385 -8.357 -6.045 1.00 0.00 H new ATOM 0 HB THR A 77 4.550 -9.321 -4.078 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.455 -7.247 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.990 -9.004 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.595 -10.142 -5.135 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.087 -8.476 -5.521 1.00 0.00 H new ATOM 696 N GLU A 78 6.237 -8.549 -7.724 1.00 0.00 N ATOM 697 CA GLU A 78 7.054 -7.875 -8.729 1.00 0.00 C ATOM 698 C GLU A 78 6.209 -7.484 -9.948 1.00 0.00 C ATOM 699 O GLU A 78 6.051 -6.295 -10.265 1.00 0.00 O ATOM 700 CB GLU A 78 8.212 -8.794 -9.155 1.00 0.00 C ATOM 701 CG GLU A 78 9.175 -8.174 -10.167 1.00 0.00 C ATOM 702 CD GLU A 78 9.883 -6.937 -9.634 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.711 -7.070 -8.709 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.618 -5.825 -10.138 1.00 0.00 O ATOM 0 H GLU A 78 6.564 -9.482 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 78 7.460 -6.962 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.775 -9.083 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.796 -9.707 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.920 -8.917 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.624 -7.910 -11.070 1.00 0.00 H new ATOM 711 N GLU A 79 5.636 -8.491 -10.595 1.00 0.00 N ATOM 712 CA GLU A 79 4.931 -8.303 -11.856 1.00 0.00 C ATOM 713 C GLU A 79 3.646 -7.487 -11.671 1.00 0.00 C ATOM 714 O GLU A 79 3.314 -6.645 -12.511 1.00 0.00 O ATOM 715 CB GLU A 79 4.636 -9.666 -12.503 1.00 0.00 C ATOM 716 CG GLU A 79 5.896 -10.510 -12.716 1.00 0.00 C ATOM 717 CD GLU A 79 5.649 -11.801 -13.486 1.00 0.00 C ATOM 718 OE1 GLU A 79 5.284 -12.821 -12.861 1.00 0.00 O ATOM 719 OE2 GLU A 79 5.855 -11.808 -14.720 1.00 0.00 O ATOM 0 H GLU A 79 5.647 -9.455 -10.263 1.00 0.00 H new ATOM 0 HA GLU A 79 5.576 -7.732 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.937 -10.218 -11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.144 -9.508 -13.463 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.635 -9.914 -13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.327 -10.754 -11.745 1.00 0.00 H new ATOM 726 N ILE A 80 2.936 -7.705 -10.566 1.00 0.00 N ATOM 727 CA ILE A 80 1.684 -6.991 -10.335 1.00 0.00 C ATOM 728 C ILE A 80 1.957 -5.512 -10.047 1.00 0.00 C ATOM 729 O ILE A 80 1.236 -4.638 -10.528 1.00 0.00 O ATOM 730 CB ILE A 80 0.837 -7.613 -9.186 1.00 0.00 C ATOM 731 CG1 ILE A 80 -0.615 -7.114 -9.262 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.432 -7.293 -7.813 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.318 -7.467 -10.558 1.00 0.00 C ATOM 0 H ILE A 80 3.200 -8.358 -9.829 1.00 0.00 H new ATOM 0 HA ILE A 80 1.098 -7.083 -11.249 1.00 0.00 H new ATOM 0 HB ILE A 80 0.851 -8.695 -9.313 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.178 -7.535 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.624 -6.031 -9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.815 -7.743 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.443 -7.695 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.462 -6.213 -7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.337 -7.081 -10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.780 -7.024 -11.396 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.343 -8.550 -10.675 1.00 0.00 H new ATOM 745 N THR A 81 3.013 -5.237 -9.280 1.00 0.00 N ATOM 746 CA THR A 81 3.397 -3.864 -8.980 1.00 0.00 C ATOM 747 C THR A 81 3.832 -3.135 -10.255 1.00 0.00 C ATOM 748 O THR A 81 3.520 -1.953 -10.439 1.00 0.00 O ATOM 749 CB THR A 81 4.519 -3.807 -7.912 1.00 0.00 C ATOM 750 OG1 THR A 81 4.037 -4.364 -6.678 1.00 0.00 O ATOM 751 CG2 THR A 81 4.997 -2.377 -7.669 1.00 0.00 C ATOM 0 H THR A 81 3.613 -5.946 -8.859 1.00 0.00 H new ATOM 0 HA THR A 81 2.523 -3.359 -8.570 1.00 0.00 H new ATOM 0 HB THR A 81 5.364 -4.387 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.154 -5.337 -6.690 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.783 -2.380 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.387 -1.961 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.162 -1.768 -7.321 1.00 0.00 H new ATOM 759 N SER A 82 4.531 -3.840 -11.147 1.00 0.00 N ATOM 760 CA SER A 82 4.939 -3.248 -12.420 1.00 0.00 C ATOM 761 C SER A 82 3.718 -2.973 -13.306 1.00 0.00 C ATOM 762 O SER A 82 3.687 -1.980 -14.044 1.00 0.00 O ATOM 763 CB SER A 82 5.952 -4.147 -13.139 1.00 0.00 C ATOM 764 OG SER A 82 5.490 -5.483 -13.235 1.00 0.00 O ATOM 0 H SER A 82 4.823 -4.808 -11.014 1.00 0.00 H new ATOM 0 HA SER A 82 5.426 -2.295 -12.213 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.142 -3.755 -14.138 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.901 -4.127 -12.603 1.00 0.00 H new ATOM 0 HG SER A 82 4.571 -5.536 -12.900 1.00 0.00 H new ATOM 770 N LEU A 83 2.711 -3.849 -13.224 1.00 0.00 N ATOM 771 CA LEU A 83 1.449 -3.634 -13.938 1.00 0.00 C ATOM 772 C LEU A 83 0.745 -2.391 -13.396 1.00 0.00 C ATOM 773 O LEU A 83 0.324 -1.514 -14.160 1.00 0.00 O ATOM 774 CB LEU A 83 0.525 -4.860 -13.811 1.00 0.00 C ATOM 775 CG LEU A 83 1.025 -6.142 -14.503 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.061 -7.303 -14.258 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.215 -5.904 -16.002 1.00 0.00 C ATOM 0 H LEU A 83 2.745 -4.708 -12.674 1.00 0.00 H new ATOM 0 HA LEU A 83 1.677 -3.487 -14.994 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.377 -5.074 -12.752 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.450 -4.602 -14.223 1.00 0.00 H new ATOM 0 HG LEU A 83 1.991 -6.408 -14.073 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.435 -8.198 -14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.018 -7.490 -13.187 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.922 -7.050 -14.656 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.569 -6.821 -16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.264 -5.610 -16.447 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.948 -5.111 -16.155 1.00 0.00 H new ATOM 789 N TRP A 84 0.635 -2.313 -12.072 1.00 0.00 N ATOM 790 CA TRP A 84 0.012 -1.168 -11.417 1.00 0.00 C ATOM 791 C TRP A 84 0.731 0.126 -11.788 1.00 0.00 C ATOM 792 O TRP A 84 0.092 1.153 -12.021 1.00 0.00 O ATOM 793 CB TRP A 84 -0.003 -1.355 -9.895 1.00 0.00 C ATOM 794 CG TRP A 84 -0.990 -2.388 -9.430 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.087 -2.837 -10.106 1.00 0.00 C ATOM 796 CD2 TRP A 84 -0.981 -3.083 -8.179 1.00 0.00 C ATOM 797 NE1 TRP A 84 -2.760 -3.765 -9.354 1.00 0.00 N ATOM 798 CE2 TRP A 84 -2.099 -3.937 -8.166 1.00 0.00 C ATOM 799 CE3 TRP A 84 -0.132 -3.069 -7.070 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -2.392 -4.764 -7.086 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -0.424 -3.892 -5.997 1.00 0.00 C ATOM 802 CH2 TRP A 84 -1.545 -4.728 -6.014 1.00 0.00 C ATOM 0 H TRP A 84 0.971 -3.032 -11.431 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.019 -1.100 -11.765 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.995 -1.641 -9.562 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.236 -0.401 -9.422 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.383 -2.509 -11.092 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.614 -4.249 -9.633 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.737 -2.427 -7.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.257 -5.411 -7.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.224 -3.889 -5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.746 -5.359 -5.161 1.00 0.00 H new ATOM 813 N GLN A 85 2.058 0.067 -11.857 1.00 0.00 N ATOM 814 CA GLN A 85 2.851 1.211 -12.291 1.00 0.00 C ATOM 815 C GLN A 85 2.394 1.643 -13.685 1.00 0.00 C ATOM 816 O GLN A 85 1.951 2.777 -13.885 1.00 0.00 O ATOM 817 CB GLN A 85 4.349 0.855 -12.294 1.00 0.00 C ATOM 818 CG GLN A 85 5.266 2.012 -12.683 1.00 0.00 C ATOM 819 CD GLN A 85 6.738 1.630 -12.658 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.291 1.175 -13.660 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.382 1.812 -11.515 1.00 0.00 N ATOM 0 H GLN A 85 2.605 -0.760 -11.618 1.00 0.00 H new ATOM 0 HA GLN A 85 2.704 2.038 -11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.629 0.502 -11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.513 0.028 -12.985 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.002 2.359 -13.682 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.100 2.846 -12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.889 2.191 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.371 1.573 -11.443 1.00 0.00 H new ATOM 830 N GLY A 86 2.487 0.712 -14.631 1.00 0.00 N ATOM 831 CA GLY A 86 2.030 0.957 -15.991 1.00 0.00 C ATOM 832 C GLY A 86 0.589 1.447 -16.077 1.00 0.00 C ATOM 833 O GLY A 86 0.231 2.158 -17.014 1.00 0.00 O ATOM 0 H GLY A 86 2.875 -0.219 -14.478 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.683 1.695 -16.456 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.126 0.037 -16.568 1.00 0.00 H new ATOM 837 N SER A 87 -0.241 1.075 -15.111 1.00 0.00 N ATOM 838 CA SER A 87 -1.647 1.472 -15.127 1.00 0.00 C ATOM 839 C SER A 87 -1.855 2.864 -14.505 1.00 0.00 C ATOM 840 O SER A 87 -2.140 3.835 -15.215 1.00 0.00 O ATOM 841 CB SER A 87 -2.489 0.419 -14.399 1.00 0.00 C ATOM 842 OG SER A 87 -2.299 -0.869 -14.974 1.00 0.00 O ATOM 0 H SER A 87 0.030 0.503 -14.311 1.00 0.00 H new ATOM 0 HA SER A 87 -1.971 1.535 -16.166 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.216 0.395 -13.344 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.543 0.692 -14.449 1.00 0.00 H new ATOM 0 HG SER A 87 -1.402 -1.197 -14.753 1.00 0.00 H new ATOM 848 N LEU A 88 -1.666 2.965 -13.191 1.00 0.00 N ATOM 849 CA LEU A 88 -1.985 4.190 -12.444 1.00 0.00 C ATOM 850 C LEU A 88 -1.189 5.397 -12.947 1.00 0.00 C ATOM 851 O LEU A 88 -1.696 6.520 -12.973 1.00 0.00 O ATOM 852 CB LEU A 88 -1.730 3.997 -10.935 1.00 0.00 C ATOM 853 CG LEU A 88 -2.724 3.084 -10.188 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.594 1.632 -10.634 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.530 3.195 -8.677 1.00 0.00 C ATOM 0 H LEU A 88 -1.292 2.211 -12.615 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.044 4.390 -12.610 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.727 3.590 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.740 4.977 -10.458 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.730 3.422 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.309 1.018 -10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.797 1.560 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.583 1.278 -10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.241 2.543 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.514 2.896 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.696 4.226 -8.364 1.00 0.00 H new ATOM 867 N PHE A 89 0.050 5.163 -13.360 1.00 0.00 N ATOM 868 CA PHE A 89 0.941 6.259 -13.746 1.00 0.00 C ATOM 869 C PHE A 89 0.746 6.659 -15.205 1.00 0.00 C ATOM 870 O PHE A 89 1.367 7.606 -15.683 1.00 0.00 O ATOM 871 CB PHE A 89 2.395 5.885 -13.454 1.00 0.00 C ATOM 872 CG PHE A 89 2.655 5.761 -11.974 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.376 4.580 -11.303 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.152 6.836 -11.253 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.589 4.474 -9.944 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.368 6.733 -9.895 1.00 0.00 C ATOM 877 CZ PHE A 89 3.084 5.551 -9.240 1.00 0.00 C ATOM 0 H PHE A 89 0.462 4.233 -13.437 1.00 0.00 H new ATOM 0 HA PHE A 89 0.685 7.132 -13.146 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.633 4.942 -13.945 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.057 6.641 -13.877 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.988 3.734 -11.850 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.372 7.764 -11.760 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.368 3.549 -9.432 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.759 7.576 -9.344 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.250 5.470 -8.176 1.00 0.00 H new ATOM 887 N ASN A 90 -0.131 5.946 -15.902 1.00 0.00 N ATOM 888 CA ASN A 90 -0.542 6.334 -17.252 1.00 0.00 C ATOM 889 C ASN A 90 -1.933 6.953 -17.203 1.00 0.00 C ATOM 890 O ASN A 90 -2.296 7.768 -18.054 1.00 0.00 O ATOM 891 CB ASN A 90 -0.496 5.138 -18.211 1.00 0.00 C ATOM 892 CG ASN A 90 0.914 4.865 -18.718 1.00 0.00 C ATOM 893 OD1 ASN A 90 1.311 5.355 -19.774 1.00 0.00 O ATOM 894 ND2 ASN A 90 1.680 4.096 -17.966 1.00 0.00 N ATOM 0 H ASN A 90 -0.573 5.094 -15.557 1.00 0.00 H new ATOM 0 HA ASN A 90 0.158 7.076 -17.635 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.876 4.252 -17.703 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.155 5.327 -19.058 1.00 0.00 H new ATOM 0 HD21 ASN A 90 2.636 3.890 -18.255 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.315 3.708 -17.096 1.00 0.00 H new ATOM 901 N ALA A 91 -2.709 6.564 -16.193 1.00 0.00 N ATOM 902 CA ALA A 91 -3.966 7.238 -15.878 1.00 0.00 C ATOM 903 C ALA A 91 -3.671 8.565 -15.178 1.00 0.00 C ATOM 904 O ALA A 91 -4.554 9.404 -14.999 1.00 0.00 O ATOM 905 CB ALA A 91 -4.842 6.345 -15.004 1.00 0.00 C ATOM 0 H ALA A 91 -2.487 5.782 -15.577 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.509 7.440 -16.801 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.775 6.861 -14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.059 5.418 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.318 6.118 -14.075 1.00 0.00 H new ATOM 911 N ASN A 92 -2.402 8.723 -14.792 1.00 0.00 N ATOM 912 CA ASN A 92 -1.893 9.937 -14.153 1.00 0.00 C ATOM 913 C ASN A 92 -2.504 10.144 -12.772 1.00 0.00 C ATOM 914 O ASN A 92 -3.447 10.922 -12.598 1.00 0.00 O ATOM 915 CB ASN A 92 -2.099 11.180 -15.034 1.00 0.00 C ATOM 916 CG ASN A 92 -1.266 11.137 -16.304 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.111 11.560 -16.319 1.00 0.00 O ATOM 918 ND2 ASN A 92 -1.844 10.629 -17.381 1.00 0.00 N ATOM 0 H ASN A 92 -1.691 8.002 -14.917 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.819 9.798 -14.027 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.153 11.264 -15.297 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.841 12.072 -14.464 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.330 10.579 -18.260 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.804 10.288 -17.332 1.00 0.00 H new ATOM 925 N TYR A 93 -1.981 9.405 -11.803 1.00 0.00 N ATOM 926 CA TYR A 93 -2.329 9.595 -10.398 1.00 0.00 C ATOM 927 C TYR A 93 -1.089 10.014 -9.614 1.00 0.00 C ATOM 928 O TYR A 93 0.028 9.983 -10.142 1.00 0.00 O ATOM 929 CB TYR A 93 -2.918 8.307 -9.804 1.00 0.00 C ATOM 930 CG TYR A 93 -4.256 7.904 -10.401 1.00 0.00 C ATOM 931 CD1 TYR A 93 -5.295 8.825 -10.517 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.485 6.604 -10.841 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.513 8.462 -11.053 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.704 6.236 -11.378 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.714 7.168 -11.482 1.00 0.00 C ATOM 936 OH TYR A 93 -7.930 6.805 -12.019 1.00 0.00 O ATOM 0 H TYR A 93 -1.305 8.659 -11.966 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.083 10.379 -10.328 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.207 7.494 -9.951 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.037 8.437 -8.728 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.144 9.840 -10.182 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.697 5.870 -10.761 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.307 9.190 -11.136 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.865 5.222 -11.715 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.906 5.859 -12.273 1.00 0.00 H new ATOM 946 N ASP A 94 -1.286 10.409 -8.362 1.00 0.00 N ATOM 947 CA ASP A 94 -0.180 10.793 -7.488 1.00 0.00 C ATOM 948 C ASP A 94 -0.239 9.987 -6.201 1.00 0.00 C ATOM 949 O ASP A 94 -1.016 10.297 -5.297 1.00 0.00 O ATOM 950 CB ASP A 94 -0.218 12.296 -7.173 1.00 0.00 C ATOM 951 CG ASP A 94 0.919 12.719 -6.251 1.00 0.00 C ATOM 952 OD1 ASP A 94 2.078 12.788 -6.720 1.00 0.00 O ATOM 953 OD2 ASP A 94 0.668 12.975 -5.053 1.00 0.00 O ATOM 0 H ASP A 94 -2.206 10.473 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 94 0.756 10.582 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.160 12.862 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.172 12.544 -6.708 1.00 0.00 H new ATOM 958 N VAL A 95 0.557 8.926 -6.147 1.00 0.00 N ATOM 959 CA VAL A 95 0.609 8.042 -4.987 1.00 0.00 C ATOM 960 C VAL A 95 2.054 7.652 -4.701 1.00 0.00 C ATOM 961 O VAL A 95 2.891 7.644 -5.609 1.00 0.00 O ATOM 962 CB VAL A 95 -0.212 6.737 -5.212 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.681 7.040 -5.501 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.394 5.898 -6.340 1.00 0.00 C ATOM 0 H VAL A 95 1.184 8.654 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 95 0.178 8.587 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.166 6.160 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.222 6.106 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.114 7.578 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.756 7.653 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.197 4.992 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.393 6.476 -7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.418 5.627 -6.082 1.00 0.00 H new ATOM 974 N GLN A 96 2.350 7.330 -3.450 1.00 0.00 N ATOM 975 CA GLN A 96 3.636 6.730 -3.116 1.00 0.00 C ATOM 976 C GLN A 96 3.421 5.236 -2.932 1.00 0.00 C ATOM 977 O GLN A 96 2.355 4.808 -2.483 1.00 0.00 O ATOM 978 CB GLN A 96 4.260 7.373 -1.865 1.00 0.00 C ATOM 979 CG GLN A 96 5.654 6.844 -1.503 1.00 0.00 C ATOM 980 CD GLN A 96 6.722 7.171 -2.545 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.442 7.254 -3.741 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.960 7.360 -2.099 1.00 0.00 N ATOM 0 H GLN A 96 1.725 7.472 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 96 4.345 6.906 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.323 8.450 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.593 7.211 -1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.955 7.264 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.601 5.763 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.160 7.284 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.710 7.581 -2.754 1.00 0.00 H new ATOM 991 N ARG A 97 4.412 4.447 -3.315 1.00 0.00 N ATOM 992 CA ARG A 97 4.252 3.003 -3.398 1.00 0.00 C ATOM 993 C ARG A 97 5.566 2.301 -3.099 1.00 0.00 C ATOM 994 O ARG A 97 6.617 2.686 -3.616 1.00 0.00 O ATOM 995 CB ARG A 97 3.739 2.596 -4.799 1.00 0.00 C ATOM 996 CG ARG A 97 4.639 3.033 -5.965 1.00 0.00 C ATOM 997 CD ARG A 97 4.639 4.549 -6.160 1.00 0.00 C ATOM 998 NE ARG A 97 5.562 4.981 -7.211 1.00 0.00 N ATOM 999 CZ ARG A 97 5.801 6.261 -7.517 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.179 7.240 -6.869 1.00 0.00 N ATOM 1001 NH2 ARG A 97 6.649 6.561 -8.488 1.00 0.00 N ATOM 0 H ARG A 97 5.339 4.783 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 97 3.517 2.698 -2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.629 1.512 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.746 3.022 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.658 2.692 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.301 2.551 -6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.631 4.880 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.911 5.032 -5.222 1.00 0.00 H new ATOM 0 HE ARG A 97 6.053 4.262 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.512 7.019 -6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.369 8.213 -7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.120 5.816 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.832 7.537 -8.722 1.00 0.00 H new ATOM 1015 N PHE A 98 5.503 1.289 -2.246 1.00 0.00 N ATOM 1016 CA PHE A 98 6.665 0.469 -1.932 1.00 0.00 C ATOM 1017 C PHE A 98 6.317 -1.008 -2.068 1.00 0.00 C ATOM 1018 O PHE A 98 5.266 -1.464 -1.593 1.00 0.00 O ATOM 1019 CB PHE A 98 7.181 0.766 -0.517 1.00 0.00 C ATOM 1020 CG PHE A 98 7.650 2.190 -0.323 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.828 2.631 -0.912 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.913 3.085 0.442 1.00 0.00 C ATOM 1023 CE1 PHE A 98 9.259 3.933 -0.741 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.343 4.388 0.614 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.516 4.812 0.023 1.00 0.00 C ATOM 0 H PHE A 98 4.652 1.014 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 98 7.457 0.713 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.388 0.554 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.005 0.089 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.414 1.949 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.994 2.760 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.177 4.263 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.761 5.074 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.852 5.829 0.158 1.00 0.00 H new ATOM 1035 N ILE A 99 7.188 -1.743 -2.748 1.00 0.00 N ATOM 1036 CA ILE A 99 7.030 -3.180 -2.900 1.00 0.00 C ATOM 1037 C ILE A 99 7.764 -3.902 -1.767 1.00 0.00 C ATOM 1038 O ILE A 99 8.948 -4.226 -1.866 1.00 0.00 O ATOM 1039 CB ILE A 99 7.537 -3.659 -4.294 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.477 -5.193 -4.407 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.949 -3.140 -4.580 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.910 -5.726 -5.758 1.00 0.00 C ATOM 0 H ILE A 99 8.016 -1.362 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 99 5.969 -3.424 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 99 6.872 -3.241 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.111 -5.630 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.458 -5.523 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.274 -3.491 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.945 -2.050 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.634 -3.509 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.840 -6.814 -5.759 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.262 -5.320 -6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.940 -5.428 -5.953 1.00 0.00 H new ATOM 1054 N VAL A 100 7.049 -4.113 -0.672 1.00 0.00 N ATOM 1055 CA VAL A 100 7.599 -4.766 0.510 1.00 0.00 C ATOM 1056 C VAL A 100 6.616 -5.823 0.997 1.00 0.00 C ATOM 1057 O VAL A 100 5.445 -5.527 1.242 1.00 0.00 O ATOM 1058 CB VAL A 100 7.913 -3.740 1.633 1.00 0.00 C ATOM 1059 CG1 VAL A 100 6.683 -2.906 1.983 1.00 0.00 C ATOM 1060 CG2 VAL A 100 8.468 -4.439 2.872 1.00 0.00 C ATOM 0 H VAL A 100 6.072 -3.837 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 100 8.542 -5.243 0.243 1.00 0.00 H new ATOM 0 HB VAL A 100 8.678 -3.061 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.936 -2.198 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.349 -2.361 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.884 -3.563 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.680 -3.699 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.734 -5.153 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.387 -4.965 2.612 1.00 0.00 H new ATOM 1070 N GLY A 101 7.098 -7.052 1.139 1.00 0.00 N ATOM 1071 CA GLY A 101 6.204 -8.177 1.329 1.00 0.00 C ATOM 1072 C GLY A 101 6.032 -8.934 0.030 1.00 0.00 C ATOM 1073 O GLY A 101 5.379 -8.453 -0.891 1.00 0.00 O ATOM 0 H GLY A 101 8.090 -7.289 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.602 -8.842 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.235 -7.825 1.684 1.00 0.00 H new ATOM 1077 N SER A 102 6.676 -10.089 -0.073 1.00 0.00 N ATOM 1078 CA SER A 102 6.677 -10.881 -1.302 1.00 0.00 C ATOM 1079 C SER A 102 5.266 -11.057 -1.893 1.00 0.00 C ATOM 1080 O SER A 102 5.098 -11.119 -3.110 1.00 0.00 O ATOM 1081 CB SER A 102 7.306 -12.245 -1.017 1.00 0.00 C ATOM 1082 OG SER A 102 8.573 -12.094 -0.389 1.00 0.00 O ATOM 0 H SER A 102 7.212 -10.505 0.689 1.00 0.00 H new ATOM 0 HA SER A 102 7.263 -10.343 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.645 -12.829 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.420 -12.800 -1.948 1.00 0.00 H new ATOM 0 HG SER A 102 8.958 -12.978 -0.213 1.00 0.00 H new ATOM 1088 N ASP A 103 4.257 -11.150 -1.032 1.00 0.00 N ATOM 1089 CA ASP A 103 2.873 -11.338 -1.472 1.00 0.00 C ATOM 1090 C ASP A 103 2.060 -10.038 -1.386 1.00 0.00 C ATOM 1091 O ASP A 103 0.893 -9.996 -1.800 1.00 0.00 O ATOM 1092 CB ASP A 103 2.209 -12.405 -0.598 1.00 0.00 C ATOM 1093 CG ASP A 103 1.946 -11.906 0.818 1.00 0.00 C ATOM 1094 OD1 ASP A 103 2.927 -11.631 1.545 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.762 -11.772 1.192 1.00 0.00 O ATOM 0 H ASP A 103 4.370 -11.098 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 103 2.893 -11.651 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.268 -12.712 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.847 -13.288 -0.558 1.00 0.00 H new ATOM 1100 N ARG A 104 2.676 -8.986 -0.861 1.00 0.00 N ATOM 1101 CA ARG A 104 1.950 -7.797 -0.414 1.00 0.00 C ATOM 1102 C ARG A 104 2.641 -6.503 -0.868 1.00 0.00 C ATOM 1103 O ARG A 104 3.860 -6.382 -0.800 1.00 0.00 O ATOM 1104 CB ARG A 104 1.864 -7.869 1.119 1.00 0.00 C ATOM 1105 CG ARG A 104 1.243 -6.663 1.818 1.00 0.00 C ATOM 1106 CD ARG A 104 1.153 -6.925 3.318 1.00 0.00 C ATOM 1107 NE ARG A 104 0.725 -5.759 4.094 1.00 0.00 N ATOM 1108 CZ ARG A 104 0.163 -5.842 5.304 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -0.107 -7.027 5.838 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -0.124 -4.743 5.986 1.00 0.00 N ATOM 0 H ARG A 104 3.686 -8.930 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 104 0.954 -7.778 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.288 -8.755 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.871 -8.012 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.844 -5.773 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.250 -6.468 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.455 -7.744 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.127 -7.254 3.680 1.00 0.00 H new ATOM 0 HE ARG A 104 0.863 -4.833 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.114 -7.880 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.536 -7.084 6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.084 -3.827 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.553 -4.813 6.909 1.00 0.00 H new ATOM 1124 N ALA A 105 1.847 -5.549 -1.352 1.00 0.00 N ATOM 1125 CA ALA A 105 2.355 -4.228 -1.743 1.00 0.00 C ATOM 1126 C ALA A 105 1.722 -3.143 -0.867 1.00 0.00 C ATOM 1127 O ALA A 105 0.629 -3.345 -0.329 1.00 0.00 O ATOM 1128 CB ALA A 105 2.059 -3.966 -3.217 1.00 0.00 C ATOM 0 H ALA A 105 0.842 -5.664 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 105 3.435 -4.206 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.440 -2.984 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.543 -4.729 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.982 -3.998 -3.383 1.00 0.00 H new ATOM 1134 N ILE A 106 2.402 -2.004 -0.708 1.00 0.00 N ATOM 1135 CA ILE A 106 1.855 -0.897 0.083 1.00 0.00 C ATOM 1136 C ILE A 106 1.776 0.393 -0.740 1.00 0.00 C ATOM 1137 O ILE A 106 2.688 0.716 -1.509 1.00 0.00 O ATOM 1138 CB ILE A 106 2.681 -0.648 1.374 1.00 0.00 C ATOM 1139 CG1 ILE A 106 2.065 0.497 2.198 1.00 0.00 C ATOM 1140 CG2 ILE A 106 4.142 -0.351 1.045 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.837 0.833 3.458 1.00 0.00 C ATOM 0 H ILE A 106 3.322 -1.825 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 106 0.846 -1.190 0.373 1.00 0.00 H new ATOM 0 HB ILE A 106 2.652 -1.558 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.003 1.388 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.045 0.227 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.696 -0.181 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.575 -1.198 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.200 0.539 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.340 1.649 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.877 -0.043 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.850 1.136 3.194 1.00 0.00 H new ATOM 1153 N PHE A 107 0.672 1.121 -0.564 1.00 0.00 N ATOM 1154 CA PHE A 107 0.422 2.383 -1.263 1.00 0.00 C ATOM 1155 C PHE A 107 -0.016 3.436 -0.251 1.00 0.00 C ATOM 1156 O PHE A 107 -0.561 3.095 0.802 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.683 2.216 -2.326 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.271 1.449 -3.560 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.008 0.087 -3.501 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.158 2.094 -4.787 1.00 0.00 C ATOM 1161 CE1 PHE A 107 0.359 -0.613 -4.634 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.208 1.396 -5.923 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.466 0.043 -5.847 1.00 0.00 C ATOM 0 H PHE A 107 -0.078 0.850 0.071 1.00 0.00 H new ATOM 0 HA PHE A 107 1.341 2.691 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.533 1.709 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.027 3.205 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.091 -0.432 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.359 3.153 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.562 -1.672 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.292 1.910 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.751 -0.504 -6.734 1.00 0.00 H new ATOM 1173 N MET A 108 0.209 4.709 -0.555 1.00 0.00 N ATOM 1174 CA MET A 108 -0.250 5.783 0.318 1.00 0.00 C ATOM 1175 C MET A 108 -0.605 7.041 -0.469 1.00 0.00 C ATOM 1176 O MET A 108 0.123 7.458 -1.381 1.00 0.00 O ATOM 1177 CB MET A 108 0.792 6.109 1.400 1.00 0.00 C ATOM 1178 CG MET A 108 2.166 6.498 0.868 1.00 0.00 C ATOM 1179 SD MET A 108 3.114 5.089 0.260 1.00 0.00 S ATOM 1180 CE MET A 108 3.330 4.133 1.760 1.00 0.00 C ATOM 0 H MET A 108 0.702 5.021 -1.392 1.00 0.00 H new ATOM 0 HA MET A 108 -1.156 5.425 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.412 6.924 2.016 1.00 0.00 H new ATOM 0 HB3 MET A 108 0.902 5.242 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 108 2.045 7.222 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.729 6.993 1.660 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.132 3.409 1.618 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.585 4.800 2.583 1.00 0.00 H new ATOM 0 HE3 MET A 108 2.404 3.607 1.993 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.746 7.620 -0.103 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.215 8.890 -0.642 1.00 0.00 C ATOM 1192 C LEU A 109 -2.106 9.970 0.427 1.00 0.00 C ATOM 1193 O LEU A 109 -2.846 9.954 1.411 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.679 8.778 -1.112 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.877 8.334 -2.568 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -5.355 8.089 -2.868 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.302 9.382 -3.516 1.00 0.00 C ATOM 0 H LEU A 109 -2.378 7.213 0.586 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.594 9.153 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.197 8.073 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.160 9.747 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.346 7.394 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.469 7.776 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.735 7.308 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.917 9.008 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.447 9.059 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.811 10.333 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.237 9.504 -3.320 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.171 10.890 0.246 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.037 12.022 1.158 1.00 0.00 C ATOM 1211 C ARG A 110 -2.044 13.102 0.747 1.00 0.00 C ATOM 1212 O ARG A 110 -2.491 13.904 1.567 1.00 0.00 O ATOM 1213 CB ARG A 110 0.405 12.560 1.135 1.00 0.00 C ATOM 1214 CG ARG A 110 1.026 12.775 2.519 1.00 0.00 C ATOM 1215 CD ARG A 110 0.250 13.789 3.353 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.006 15.025 2.605 1.00 0.00 N ATOM 1217 CZ ARG A 110 0.904 15.979 2.382 1.00 0.00 C ATOM 1218 NH1 ARG A 110 2.154 15.830 2.807 1.00 0.00 N ATOM 1219 NH2 ARG A 110 0.569 17.063 1.706 1.00 0.00 N ATOM 0 H ARG A 110 -0.496 10.878 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.249 11.708 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.030 11.864 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.418 13.506 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.062 11.824 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.055 13.115 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.697 13.352 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.811 14.021 4.258 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.944 15.166 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.425 14.983 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.843 16.562 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.383 17.171 1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.262 17.792 1.535 1.00 0.00 H new ATOM 1233 N ASP A 111 -2.380 13.097 -0.544 1.00 0.00 N ATOM 1234 CA ASP A 111 -3.419 13.956 -1.115 1.00 0.00 C ATOM 1235 C ASP A 111 -4.097 13.215 -2.267 1.00 0.00 C ATOM 1236 O ASP A 111 -3.467 12.966 -3.301 1.00 0.00 O ATOM 1237 CB ASP A 111 -2.839 15.286 -1.638 1.00 0.00 C ATOM 1238 CG ASP A 111 -2.363 16.221 -0.537 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -3.170 17.052 -0.062 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -1.174 16.150 -0.155 1.00 0.00 O ATOM 0 H ASP A 111 -1.933 12.489 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.137 14.190 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.005 15.071 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.599 15.795 -2.231 1.00 0.00 H new ATOM 1245 N GLY A 112 -5.361 12.843 -2.088 1.00 0.00 N ATOM 1246 CA GLY A 112 -6.084 12.139 -3.136 1.00 0.00 C ATOM 1247 C GLY A 112 -7.514 11.812 -2.745 1.00 0.00 C ATOM 1248 O GLY A 112 -7.758 11.258 -1.672 1.00 0.00 O ATOM 0 H GLY A 112 -5.898 13.015 -1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.089 12.748 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.558 11.215 -3.377 1.00 0.00 H new ATOM 1252 N SER A 113 -8.459 12.163 -3.613 1.00 0.00 N ATOM 1253 CA SER A 113 -9.879 11.899 -3.383 1.00 0.00 C ATOM 1254 C SER A 113 -10.313 10.596 -4.061 1.00 0.00 C ATOM 1255 O SER A 113 -11.333 10.002 -3.701 1.00 0.00 O ATOM 1256 CB SER A 113 -10.710 13.076 -3.902 1.00 0.00 C ATOM 1257 OG SER A 113 -10.279 14.291 -3.312 1.00 0.00 O ATOM 0 H SER A 113 -8.264 12.638 -4.495 1.00 0.00 H new ATOM 0 HA SER A 113 -10.044 11.787 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.621 13.141 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.764 12.911 -3.678 1.00 0.00 H new ATOM 0 HG SER A 113 -10.820 15.032 -3.657 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.520 10.156 -5.037 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.807 8.932 -5.799 1.00 0.00 C ATOM 1265 C TYR A 114 -9.494 7.664 -4.989 1.00 0.00 C ATOM 1266 O TYR A 114 -9.084 6.644 -5.549 1.00 0.00 O ATOM 1267 CB TYR A 114 -9.032 8.935 -7.130 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.527 9.119 -7.004 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.971 10.386 -6.849 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.662 8.028 -7.060 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.604 10.560 -6.755 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.292 8.196 -6.960 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.770 9.463 -6.809 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.407 9.637 -6.727 1.00 0.00 O ATOM 0 H TYR A 114 -8.664 10.631 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.876 8.921 -6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.225 7.994 -7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.428 9.731 -7.760 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.620 11.248 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.068 7.035 -7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.190 11.551 -6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -4.635 7.339 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.207 10.360 -6.097 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.746 7.724 -3.681 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.449 6.624 -2.766 1.00 0.00 C ATOM 1286 C ALA A 115 -10.144 5.328 -3.188 1.00 0.00 C ATOM 1287 O ALA A 115 -9.495 4.301 -3.395 1.00 0.00 O ATOM 1288 CB ALA A 115 -9.865 7.007 -1.352 1.00 0.00 C ATOM 0 H ALA A 115 -10.162 8.537 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.375 6.443 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.642 6.185 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.316 7.895 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.935 7.215 -1.331 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.464 5.375 -3.320 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.242 4.180 -3.649 1.00 0.00 C ATOM 1296 C TRP A 116 -12.067 3.783 -5.114 1.00 0.00 C ATOM 1297 O TRP A 116 -12.412 2.665 -5.506 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.727 4.383 -3.300 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.145 3.686 -2.033 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.236 2.884 -1.869 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.467 3.705 -0.764 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.287 2.411 -0.583 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.216 2.898 0.117 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.307 4.321 -0.283 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -13.843 2.695 1.441 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -11.939 4.119 1.035 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -12.704 3.310 1.883 1.00 0.00 C ATOM 0 H TRP A 116 -12.019 6.223 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.861 3.358 -3.043 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.927 5.450 -3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.339 4.019 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.956 2.655 -2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.008 1.795 -0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -11.708 4.944 -0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -14.433 2.073 2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.047 4.593 1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.389 3.169 2.906 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.519 4.691 -5.918 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.239 4.397 -7.319 1.00 0.00 C ATOM 1320 C GLU A 117 -10.004 3.506 -7.431 1.00 0.00 C ATOM 1321 O GLU A 117 -10.044 2.443 -8.066 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.051 5.694 -8.116 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.312 6.548 -8.189 1.00 0.00 C ATOM 1324 CD GLU A 117 -12.151 7.767 -9.080 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.946 7.594 -10.301 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -12.224 8.906 -8.568 1.00 0.00 O ATOM 0 H GLU A 117 -11.261 5.633 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.090 3.863 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.251 6.278 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.730 5.447 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.136 5.939 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.584 6.872 -7.184 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.910 3.932 -6.801 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.694 3.125 -6.768 1.00 0.00 C ATOM 1335 C ILE A 118 -7.975 1.809 -6.041 1.00 0.00 C ATOM 1336 O ILE A 118 -7.522 0.748 -6.468 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.499 3.876 -6.107 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.243 2.986 -6.079 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.852 4.352 -4.701 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.029 3.651 -5.457 1.00 0.00 C ATOM 0 H ILE A 118 -8.842 4.824 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.400 2.920 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.285 4.756 -6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.469 2.074 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.999 2.688 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.998 4.872 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.703 5.031 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.108 3.494 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.186 2.960 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.775 4.547 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.252 3.924 -4.426 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.767 1.887 -4.967 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.216 0.694 -4.247 1.00 0.00 C ATOM 1354 C LYS A 119 -9.901 -0.280 -5.201 1.00 0.00 C ATOM 1355 O LYS A 119 -9.559 -1.462 -5.252 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.190 1.081 -3.124 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.887 -0.113 -2.469 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.887 0.327 -1.404 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.687 -0.851 -0.857 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.559 -1.470 -1.893 1.00 0.00 N ATOM 0 H LYS A 119 -9.110 2.765 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.341 0.211 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.646 1.636 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -10.946 1.754 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.402 -0.696 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.140 -0.767 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.356 0.817 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.569 1.064 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -12.002 -1.603 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.301 -0.514 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.249 -2.099 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.063 -0.724 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.975 -2.020 -2.555 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.868 0.242 -5.953 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.640 -0.560 -6.900 1.00 0.00 C ATOM 1376 C ASP A 120 -10.713 -1.270 -7.881 1.00 0.00 C ATOM 1377 O ASP A 120 -10.858 -2.471 -8.143 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.638 0.331 -7.656 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.568 -0.454 -8.570 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.520 -1.086 -8.056 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.369 -0.425 -9.804 1.00 0.00 O ATOM 0 H ASP A 120 -11.137 1.225 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.195 -1.316 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.234 0.891 -6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.087 1.061 -8.249 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.720 -0.540 -8.382 1.00 0.00 N ATOM 1387 CA PHE A 121 -8.782 -1.092 -9.353 1.00 0.00 C ATOM 1388 C PHE A 121 -7.921 -2.186 -8.715 1.00 0.00 C ATOM 1389 O PHE A 121 -7.642 -3.211 -9.340 1.00 0.00 O ATOM 1390 CB PHE A 121 -7.896 0.025 -9.921 1.00 0.00 C ATOM 1391 CG PHE A 121 -6.849 -0.466 -10.891 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.198 -0.836 -12.183 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.521 -0.565 -10.508 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.241 -1.292 -13.070 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.562 -1.019 -11.389 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.922 -1.383 -12.672 1.00 0.00 C ATOM 0 H PHE A 121 -9.545 0.433 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.350 -1.540 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.528 0.758 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.402 0.540 -9.097 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.229 -0.767 -12.498 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.233 -0.283 -9.506 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.524 -1.577 -14.073 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.531 -1.090 -11.076 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.172 -1.739 -13.363 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.506 -1.964 -7.470 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.684 -2.932 -6.744 1.00 0.00 C ATOM 1408 C LEU A 122 -7.461 -4.226 -6.481 1.00 0.00 C ATOM 1409 O LEU A 122 -6.913 -5.322 -6.598 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.188 -2.331 -5.419 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.274 -1.099 -5.559 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -4.908 -0.537 -4.189 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.016 -1.441 -6.357 1.00 0.00 C ATOM 0 H LEU A 122 -7.726 -1.120 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.821 -3.173 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.054 -2.055 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.650 -3.102 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.824 -0.332 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.262 0.332 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.816 -0.243 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.384 -1.299 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.387 -0.555 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.464 -2.230 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.298 -1.782 -7.353 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.744 -4.093 -6.139 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.588 -5.255 -5.844 1.00 0.00 C ATOM 1427 C VAL A 123 -10.268 -5.777 -7.111 1.00 0.00 C ATOM 1428 O VAL A 123 -10.988 -6.775 -7.075 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.663 -4.933 -4.776 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.010 -4.469 -3.475 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -11.655 -3.895 -5.292 1.00 0.00 C ATOM 0 H VAL A 123 -9.221 -3.195 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 123 -8.929 -6.027 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.218 -5.848 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -10.783 -4.248 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.360 -5.256 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.421 -3.571 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.398 -3.688 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.124 -2.976 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.152 -4.278 -6.183 1.00 0.00 H new ATOM 1441 N SER A 124 -10.042 -5.089 -8.228 1.00 0.00 N ATOM 1442 CA SER A 124 -10.516 -5.529 -9.545 1.00 0.00 C ATOM 1443 C SER A 124 -9.911 -6.885 -9.974 1.00 0.00 C ATOM 1444 O SER A 124 -10.200 -7.372 -11.072 1.00 0.00 O ATOM 1445 CB SER A 124 -10.202 -4.455 -10.599 1.00 0.00 C ATOM 1446 OG SER A 124 -10.690 -4.821 -11.883 1.00 0.00 O ATOM 0 H SER A 124 -9.525 -4.210 -8.249 1.00 0.00 H new ATOM 0 HA SER A 124 -11.594 -5.671 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.647 -3.507 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.124 -4.299 -10.650 1.00 0.00 H new ATOM 0 HG SER A 124 -10.813 -5.792 -11.921 1.00 0.00 H new ATOM 1452 N GLN A 125 -9.094 -7.502 -9.115 1.00 0.00 N ATOM 1453 CA GLN A 125 -8.379 -8.724 -9.487 1.00 0.00 C ATOM 1454 C GLN A 125 -9.243 -9.951 -9.206 1.00 0.00 C ATOM 1455 O GLN A 125 -9.435 -10.353 -8.055 1.00 0.00 O ATOM 1456 CB GLN A 125 -7.034 -8.833 -8.758 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.983 -7.860 -9.275 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.620 -8.073 -8.644 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.264 -9.190 -8.264 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -3.836 -7.014 -8.550 1.00 0.00 N ATOM 0 H GLN A 125 -8.913 -7.178 -8.165 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.171 -8.677 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.191 -8.655 -7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.657 -9.851 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.898 -7.966 -10.356 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.313 -6.840 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.165 -6.105 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -2.901 -7.105 -8.152 1.00 0.00 H new ATOM 1469 N ASP A 126 -9.787 -10.507 -10.280 1.00 0.00 N ATOM 1470 CA ASP A 126 -10.641 -11.696 -10.222 1.00 0.00 C ATOM 1471 C ASP A 126 -10.026 -12.813 -9.375 1.00 0.00 C ATOM 1472 O ASP A 126 -10.720 -13.442 -8.572 1.00 0.00 O ATOM 1473 CB ASP A 126 -10.920 -12.219 -11.639 1.00 0.00 C ATOM 1474 CG ASP A 126 -11.785 -11.273 -12.458 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -11.241 -10.318 -13.048 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -13.017 -11.472 -12.503 1.00 0.00 O ATOM 0 H ASP A 126 -9.650 -10.147 -11.224 1.00 0.00 H new ATOM 0 HA ASP A 126 -11.575 -11.395 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -9.973 -12.377 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -11.413 -13.189 -11.573 1.00 0.00 H new ATOM 1481 N ARG A 127 -8.735 -13.073 -9.565 1.00 0.00 N ATOM 1482 CA ARG A 127 -8.067 -14.193 -8.899 1.00 0.00 C ATOM 1483 C ARG A 127 -7.917 -13.985 -7.388 1.00 0.00 C ATOM 1484 O ARG A 127 -8.198 -14.901 -6.605 1.00 0.00 O ATOM 1485 CB ARG A 127 -6.687 -14.437 -9.525 1.00 0.00 C ATOM 1486 CG ARG A 127 -6.738 -14.866 -10.991 1.00 0.00 C ATOM 1487 CD ARG A 127 -5.347 -15.177 -11.539 1.00 0.00 C ATOM 1488 NE ARG A 127 -4.678 -16.232 -10.770 1.00 0.00 N ATOM 1489 CZ ARG A 127 -3.656 -16.964 -11.219 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -3.164 -16.759 -12.434 1.00 0.00 N ATOM 1491 NH2 ARG A 127 -3.122 -17.900 -10.443 1.00 0.00 N ATOM 0 H ARG A 127 -8.128 -12.524 -10.175 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.704 -15.066 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.096 -13.525 -9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.169 -15.204 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.373 -15.746 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.195 -14.075 -11.586 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.428 -15.484 -12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.739 -14.273 -11.519 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.017 -16.419 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -3.567 -16.038 -13.032 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -2.383 -17.323 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -3.493 -18.058 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -2.341 -18.461 -10.784 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.500 -12.792 -6.972 1.00 0.00 N ATOM 1506 CA CYS A 128 -7.158 -12.560 -5.568 1.00 0.00 C ATOM 1507 C CYS A 128 -7.028 -11.056 -5.284 1.00 0.00 C ATOM 1508 O CYS A 128 -7.671 -10.247 -5.954 1.00 0.00 O ATOM 1509 CB CYS A 128 -5.847 -13.299 -5.240 1.00 0.00 C ATOM 1510 SG CYS A 128 -5.445 -13.372 -3.478 1.00 0.00 S ATOM 0 H CYS A 128 -7.391 -11.978 -7.577 1.00 0.00 H new ATOM 0 HA CYS A 128 -7.954 -12.946 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.912 -14.316 -5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.028 -12.809 -5.766 1.00 0.00 H new ATOM 0 HG CYS A 128 -4.393 -12.645 -3.242 1.00 0.00 H new ATOM 1516 N ALA A 129 -6.213 -10.709 -4.277 1.00 0.00 N ATOM 1517 CA ALA A 129 -5.929 -9.321 -3.890 1.00 0.00 C ATOM 1518 C ALA A 129 -6.998 -8.760 -2.949 1.00 0.00 C ATOM 1519 O ALA A 129 -8.143 -8.522 -3.349 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.737 -8.410 -5.106 1.00 0.00 C ATOM 0 H ALA A 129 -5.726 -11.395 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 129 -4.985 -9.341 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.529 -7.394 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.901 -8.773 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.644 -8.414 -5.711 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.613 -8.575 -1.687 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.472 -7.955 -0.682 1.00 0.00 C ATOM 1528 C GLU A 130 -6.750 -6.755 -0.066 1.00 0.00 C ATOM 1529 O GLU A 130 -5.536 -6.799 0.158 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.854 -8.969 0.408 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.614 -10.183 -0.122 1.00 0.00 C ATOM 1532 CD GLU A 130 -9.079 -11.120 0.981 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -8.295 -11.998 1.396 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -10.233 -10.979 1.445 1.00 0.00 O ATOM 0 H GLU A 130 -5.697 -8.851 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.390 -7.616 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.948 -9.309 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.465 -8.469 1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.479 -9.843 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.974 -10.733 -0.812 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.494 -5.685 0.200 1.00 0.00 N ATOM 1542 CA VAL A 131 -6.906 -4.433 0.673 1.00 0.00 C ATOM 1543 C VAL A 131 -7.436 -4.053 2.057 1.00 0.00 C ATOM 1544 O VAL A 131 -8.561 -4.398 2.423 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.187 -3.278 -0.328 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -8.686 -3.001 -0.440 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -6.425 -2.011 0.063 1.00 0.00 C ATOM 0 H VAL A 131 -8.508 -5.659 0.096 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.830 -4.589 0.746 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.829 -3.594 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.854 -2.188 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.197 -3.898 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.078 -2.719 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.641 -1.220 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.735 -1.692 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.355 -2.216 0.065 1.00 0.00 H new ATOM 1557 N THR A 132 -6.600 -3.367 2.833 1.00 0.00 N ATOM 1558 CA THR A 132 -6.985 -2.830 4.134 1.00 0.00 C ATOM 1559 C THR A 132 -6.306 -1.474 4.337 1.00 0.00 C ATOM 1560 O THR A 132 -5.196 -1.260 3.847 1.00 0.00 O ATOM 1561 CB THR A 132 -6.598 -3.801 5.279 1.00 0.00 C ATOM 1562 OG1 THR A 132 -7.186 -5.090 5.038 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.061 -3.281 6.638 1.00 0.00 C ATOM 0 H THR A 132 -5.633 -3.168 2.575 1.00 0.00 H new ATOM 0 HA THR A 132 -8.068 -2.708 4.157 1.00 0.00 H new ATOM 0 HB THR A 132 -5.511 -3.880 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.499 -5.784 5.122 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.772 -3.988 7.416 1.00 0.00 H new ATOM 0 HG22 THR A 132 -6.597 -2.315 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.145 -3.169 6.634 1.00 0.00 H new ATOM 1571 N LEU A 133 -6.971 -0.555 5.035 1.00 0.00 N ATOM 1572 CA LEU A 133 -6.457 0.805 5.206 1.00 0.00 C ATOM 1573 C LEU A 133 -5.519 0.895 6.411 1.00 0.00 C ATOM 1574 O LEU A 133 -5.517 0.018 7.277 1.00 0.00 O ATOM 1575 CB LEU A 133 -7.618 1.800 5.369 1.00 0.00 C ATOM 1576 CG LEU A 133 -8.606 1.860 4.192 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -9.718 2.870 4.468 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -7.879 2.195 2.890 1.00 0.00 C ATOM 0 H LEU A 133 -7.867 -0.726 5.492 1.00 0.00 H new ATOM 0 HA LEU A 133 -5.889 1.062 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.171 1.542 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.202 2.796 5.523 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.062 0.876 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.405 2.895 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.260 2.577 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.283 3.859 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.598 2.232 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.388 3.163 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.132 1.429 2.683 1.00 0.00 H new ATOM 1590 N GLU A 134 -4.723 1.963 6.444 1.00 0.00 N ATOM 1591 CA GLU A 134 -3.798 2.224 7.547 1.00 0.00 C ATOM 1592 C GLU A 134 -4.583 2.530 8.823 1.00 0.00 C ATOM 1593 O GLU A 134 -5.511 3.344 8.815 1.00 0.00 O ATOM 1594 CB GLU A 134 -2.868 3.397 7.170 1.00 0.00 C ATOM 1595 CG GLU A 134 -1.559 3.485 7.967 1.00 0.00 C ATOM 1596 CD GLU A 134 -1.722 4.050 9.373 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -1.866 5.285 9.508 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -1.682 3.265 10.346 1.00 0.00 O ATOM 0 H GLU A 134 -4.701 2.670 5.709 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.185 1.342 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.623 3.318 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.417 4.330 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -1.121 2.489 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.853 4.107 7.417 1.00 0.00 H new ATOM 1605 N GLY A 135 -4.223 1.855 9.909 1.00 0.00 N ATOM 1606 CA GLY A 135 -4.890 2.058 11.179 1.00 0.00 C ATOM 1607 C GLY A 135 -6.217 1.329 11.247 1.00 0.00 C ATOM 1608 O GLY A 135 -6.318 0.268 11.873 1.00 0.00 O ATOM 0 H GLY A 135 -3.473 1.164 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.245 1.712 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.054 3.124 11.336 1.00 0.00 H new ATOM 1612 N GLN A 136 -7.233 1.894 10.597 1.00 0.00 N ATOM 1613 CA GLN A 136 -8.581 1.321 10.583 1.00 0.00 C ATOM 1614 C GLN A 136 -9.305 1.705 9.297 1.00 0.00 C ATOM 1615 O GLN A 136 -9.095 2.795 8.759 1.00 0.00 O ATOM 1616 CB GLN A 136 -9.410 1.815 11.786 1.00 0.00 C ATOM 1617 CG GLN A 136 -8.926 1.320 13.145 1.00 0.00 C ATOM 1618 CD GLN A 136 -9.829 1.772 14.282 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -10.795 1.092 14.627 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -9.528 2.921 14.868 1.00 0.00 N ATOM 0 H GLN A 136 -7.147 2.760 10.066 1.00 0.00 H new ATOM 0 HA GLN A 136 -8.477 0.238 10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -9.405 2.905 11.789 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -10.445 1.502 11.649 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -8.876 0.231 13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -7.914 1.684 13.322 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -8.719 3.457 14.554 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -10.105 3.270 15.633 1.00 0.00 H new ATOM 1629 N MET A 137 -10.152 0.809 8.800 1.00 0.00 N ATOM 1630 CA MET A 137 -11.034 1.134 7.688 1.00 0.00 C ATOM 1631 C MET A 137 -12.214 1.948 8.208 1.00 0.00 C ATOM 1632 O MET A 137 -13.045 1.443 8.964 1.00 0.00 O ATOM 1633 CB MET A 137 -11.524 -0.130 6.964 1.00 0.00 C ATOM 1634 CG MET A 137 -10.417 -0.894 6.247 1.00 0.00 C ATOM 1635 SD MET A 137 -11.047 -2.178 5.145 1.00 0.00 S ATOM 1636 CE MET A 137 -12.021 -1.206 3.995 1.00 0.00 C ATOM 0 H MET A 137 -10.245 -0.145 9.150 1.00 0.00 H new ATOM 0 HA MET A 137 -10.475 1.722 6.960 1.00 0.00 H new ATOM 0 HB2 MET A 137 -11.999 -0.791 7.688 1.00 0.00 H new ATOM 0 HB3 MET A 137 -12.288 0.151 6.239 1.00 0.00 H new ATOM 0 HG2 MET A 137 -9.813 -0.193 5.671 1.00 0.00 H new ATOM 0 HG3 MET A 137 -9.759 -1.349 6.987 1.00 0.00 H new ATOM 0 HE1 MET A 137 -11.884 -1.592 2.985 1.00 0.00 H new ATOM 0 HE2 MET A 137 -13.075 -1.269 4.267 1.00 0.00 H new ATOM 0 HE3 MET A 137 -11.698 -0.166 4.033 1.00 0.00 H new ATOM 1646 N TYR A 138 -12.267 3.209 7.799 1.00 0.00 N ATOM 1647 CA TYR A 138 -13.262 4.164 8.291 1.00 0.00 C ATOM 1648 C TYR A 138 -14.705 3.659 8.096 1.00 0.00 C ATOM 1649 O TYR A 138 -15.494 3.691 9.040 1.00 0.00 O ATOM 1650 CB TYR A 138 -13.058 5.531 7.618 1.00 0.00 C ATOM 1651 CG TYR A 138 -11.680 6.118 7.866 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -10.579 5.689 7.130 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -11.476 7.085 8.845 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -9.321 6.207 7.362 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -10.219 7.607 9.082 1.00 0.00 C ATOM 1656 CZ TYR A 138 -9.145 7.166 8.337 1.00 0.00 C ATOM 1657 OH TYR A 138 -7.889 7.675 8.573 1.00 0.00 O ATOM 0 H TYR A 138 -11.621 3.603 7.115 1.00 0.00 H new ATOM 0 HA TYR A 138 -13.114 4.272 9.365 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -13.214 5.427 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -13.814 6.226 7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -10.711 4.938 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -12.314 7.434 9.430 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.478 5.863 6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.078 8.357 9.847 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.936 8.342 9.290 1.00 0.00 H new ATOM 1667 N PRO A 139 -15.084 3.175 6.887 1.00 0.00 N ATOM 1668 CA PRO A 139 -16.434 2.633 6.657 1.00 0.00 C ATOM 1669 C PRO A 139 -16.607 1.227 7.228 1.00 0.00 C ATOM 1670 O PRO A 139 -17.687 0.636 7.140 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.537 2.588 5.131 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.134 2.393 4.670 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.264 3.137 5.654 1.00 0.00 C ATOM 0 HA PRO A 139 -17.199 3.238 7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -17.181 1.773 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -16.961 3.510 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.876 1.334 4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -14.998 2.779 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -13.316 2.624 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -14.026 4.140 5.300 1.00 0.00 H new ATOM 1681 N GLY A 140 -15.538 0.690 7.803 1.00 0.00 N ATOM 1682 CA GLY A 140 -15.553 -0.679 8.274 1.00 0.00 C ATOM 1683 C GLY A 140 -15.026 -1.634 7.222 1.00 0.00 C ATOM 1684 O GLY A 140 -14.937 -1.273 6.044 1.00 0.00 O ATOM 0 H GLY A 140 -14.657 1.182 7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -14.948 -0.761 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -16.570 -0.960 8.545 1.00 0.00 H new ATOM 1688 N LYS A 141 -14.672 -2.845 7.631 1.00 0.00 N ATOM 1689 CA LYS A 141 -14.177 -3.858 6.701 1.00 0.00 C ATOM 1690 C LYS A 141 -15.109 -5.064 6.692 1.00 0.00 C ATOM 1691 O LYS A 141 -15.452 -5.604 7.749 1.00 0.00 O ATOM 1692 CB LYS A 141 -12.753 -4.292 7.083 1.00 0.00 C ATOM 1693 CG LYS A 141 -12.128 -5.280 6.100 1.00 0.00 C ATOM 1694 CD LYS A 141 -10.712 -5.678 6.511 1.00 0.00 C ATOM 1695 CE LYS A 141 -10.082 -6.639 5.507 1.00 0.00 C ATOM 1696 NZ LYS A 141 -8.718 -7.067 5.922 1.00 0.00 N ATOM 0 H LYS A 141 -14.718 -3.153 8.602 1.00 0.00 H new ATOM 0 HA LYS A 141 -14.150 -3.425 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -12.119 -3.408 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -12.774 -4.744 8.075 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -12.751 -6.172 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -12.105 -4.836 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -10.093 -4.785 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -10.737 -6.145 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -10.719 -7.517 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -10.029 -6.159 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -8.375 -7.807 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -8.073 -6.252 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -8.752 -7.441 6.892 1.00 0.00 H new TER 1710 LYS A 141