USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 797 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 36 TYR OH : rot 133:sc= 0.112! USER MOD Set 1.2: A 70 LYS NZ :NH3+ 174:sc= 1.48 (180deg=0.277) USER MOD Set 2.1: A 23 MET CE :methyl -123:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 ASN : amide:sc= -4.16! C(o=-4.2!,f=-12!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.0996 (180deg=-0.615) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.475) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -143:sc= -2.52! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 165:sc= -0.0761 USER MOD Single : A 97 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.037) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -79:sc= 0.721 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -116:sc= -0.663 (180deg=-2.27!) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 5.670 9.655 -3.760 1.00 0.00 N ATOM 2 CA MET A 23 5.712 8.204 -3.800 1.00 0.00 C ATOM 3 C MET A 23 6.452 7.643 -2.584 1.00 0.00 C ATOM 4 O MET A 23 7.601 8.001 -2.332 1.00 0.00 O ATOM 5 CB MET A 23 6.416 7.749 -5.080 1.00 0.00 C ATOM 6 CG MET A 23 6.320 6.232 -5.249 1.00 0.00 C ATOM 7 SD MET A 23 7.694 5.637 -6.221 1.00 0.00 S ATOM 8 CE MET A 23 7.097 6.010 -7.861 1.00 0.00 C ATOM 0 HA MET A 23 4.689 7.829 -3.784 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.967 8.244 -5.941 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.463 8.050 -5.050 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.319 5.748 -4.272 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.380 5.971 -5.735 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.078 5.098 -8.457 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.090 6.423 -7.797 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.758 6.738 -8.332 1.00 0.00 H new ATOM 18 N ARG A 24 5.762 6.771 -1.863 1.00 0.00 N ATOM 19 CA ARG A 24 6.339 6.158 -0.678 1.00 0.00 C ATOM 20 C ARG A 24 6.617 4.675 -0.931 1.00 0.00 C ATOM 21 O ARG A 24 5.800 3.981 -1.534 1.00 0.00 O ATOM 22 CB ARG A 24 5.404 6.296 0.525 1.00 0.00 C ATOM 23 CG ARG A 24 6.061 7.118 1.638 1.00 0.00 C ATOM 24 CD ARG A 24 5.050 8.063 2.291 1.00 0.00 C ATOM 25 NE ARG A 24 5.033 9.358 1.575 1.00 0.00 N ATOM 26 CZ ARG A 24 4.152 10.337 1.817 1.00 0.00 C ATOM 27 NH1 ARG A 24 3.209 10.175 2.756 1.00 0.00 N ATOM 28 NH2 ARG A 24 4.210 11.480 1.118 1.00 0.00 N ATOM 0 H ARG A 24 4.810 6.475 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 24 7.273 6.675 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.475 6.774 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.143 5.307 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.478 6.449 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.891 7.694 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.057 7.615 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.310 8.220 3.338 1.00 0.00 H new ATOM 0 HE ARG A 24 5.736 9.515 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.162 9.305 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.538 10.921 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.925 11.604 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.539 12.225 1.303 1.00 0.00 H new ATOM 42 N GLU A 25 7.773 4.233 -0.458 1.00 0.00 N ATOM 43 CA GLU A 25 8.169 2.845 -0.625 1.00 0.00 C ATOM 44 C GLU A 25 7.918 2.062 0.665 1.00 0.00 C ATOM 45 O GLU A 25 8.282 2.514 1.749 1.00 0.00 O ATOM 46 CB GLU A 25 9.632 2.741 -1.056 1.00 0.00 C ATOM 47 CG GLU A 25 9.753 2.109 -2.444 1.00 0.00 C ATOM 48 CD GLU A 25 11.220 1.966 -2.856 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.915 3.005 -2.848 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.611 0.822 -3.168 1.00 0.00 O ATOM 0 H GLU A 25 8.448 4.812 0.041 1.00 0.00 H new ATOM 0 HA GLU A 25 7.561 2.406 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.083 3.733 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.186 2.144 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.274 1.130 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.225 2.722 -3.174 1.00 0.00 H new ATOM 57 N TYR A 26 7.299 0.901 0.506 1.00 0.00 N ATOM 58 CA TYR A 26 6.996 0.052 1.645 1.00 0.00 C ATOM 59 C TYR A 26 7.565 -1.355 1.445 1.00 0.00 C ATOM 60 O TYR A 26 7.626 -1.850 0.321 1.00 0.00 O ATOM 61 CB TYR A 26 5.469 -0.033 1.713 1.00 0.00 C ATOM 62 CG TYR A 26 4.785 1.305 2.000 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.030 1.965 3.188 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.921 1.851 1.074 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.386 3.224 3.457 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.276 3.110 1.344 1.00 0.00 C ATOM 67 CZ TYR A 26 3.539 3.733 2.523 1.00 0.00 C ATOM 68 OH TYR A 26 2.931 4.922 2.778 1.00 0.00 O ATOM 0 H TYR A 26 6.999 0.529 -0.395 1.00 0.00 H new ATOM 0 HA TYR A 26 7.433 0.460 2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.094 -0.426 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.189 -0.746 2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.704 1.537 3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.728 1.334 0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.572 3.753 4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.599 3.549 0.626 1.00 0.00 H new ATOM 0 HH TYR A 26 2.355 5.164 2.023 1.00 0.00 H new ATOM 78 N PRO A 27 7.977 -1.974 2.584 1.00 0.00 N ATOM 79 CA PRO A 27 8.537 -3.313 2.547 1.00 0.00 C ATOM 80 C PRO A 27 7.444 -4.361 2.331 1.00 0.00 C ATOM 81 O PRO A 27 6.299 -4.017 2.035 1.00 0.00 O ATOM 82 CB PRO A 27 9.261 -3.475 3.873 1.00 0.00 C ATOM 83 CG PRO A 27 8.691 -2.406 4.792 1.00 0.00 C ATOM 84 CD PRO A 27 7.919 -1.418 3.933 1.00 0.00 C ATOM 0 HA PRO A 27 9.224 -3.457 1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.101 -4.471 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.337 -3.350 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.037 -2.854 5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.491 -1.899 5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.889 -1.316 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.367 -0.425 3.972 1.00 0.00 H new ATOM 92 N VAL A 28 7.832 -5.618 2.488 1.00 0.00 N ATOM 93 CA VAL A 28 6.898 -6.717 2.313 1.00 0.00 C ATOM 94 C VAL A 28 7.239 -7.831 3.306 1.00 0.00 C ATOM 95 O VAL A 28 8.334 -8.390 3.265 1.00 0.00 O ATOM 96 CB VAL A 28 6.910 -7.188 0.858 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.278 -7.759 0.477 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.801 -8.211 0.604 1.00 0.00 C ATOM 0 H VAL A 28 8.781 -5.900 2.735 1.00 0.00 H new ATOM 0 HA VAL A 28 5.880 -6.391 2.525 1.00 0.00 H new ATOM 0 HB VAL A 28 6.720 -6.322 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.259 -8.086 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.041 -6.990 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.510 -8.608 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.832 -8.530 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.948 -9.075 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.833 -7.758 0.817 1.00 0.00 H new ATOM 108 N LYS A 29 6.281 -8.122 4.172 1.00 0.00 N ATOM 109 CA LYS A 29 6.465 -9.160 5.173 1.00 0.00 C ATOM 110 C LYS A 29 6.623 -10.512 4.476 1.00 0.00 C ATOM 111 O LYS A 29 6.010 -10.754 3.437 1.00 0.00 O ATOM 112 CB LYS A 29 5.329 -9.125 6.198 1.00 0.00 C ATOM 113 CG LYS A 29 5.536 -10.182 7.283 1.00 0.00 C ATOM 114 CD LYS A 29 6.165 -9.568 8.535 1.00 0.00 C ATOM 115 CE LYS A 29 7.661 -9.323 8.334 1.00 0.00 C ATOM 116 NZ LYS A 29 8.433 -9.862 9.476 1.00 0.00 N ATOM 0 H LYS A 29 5.374 -7.657 4.202 1.00 0.00 H new ATOM 0 HA LYS A 29 7.379 -8.984 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.276 -8.136 6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.377 -9.296 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.579 -10.638 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.177 -10.978 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.668 -8.627 8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.013 -10.232 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.992 -9.795 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.850 -8.254 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.447 -9.687 9.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.129 -9.393 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.266 -10.885 9.555 1.00 0.00 H new ATOM 130 N LYS A 30 7.447 -11.358 5.075 1.00 0.00 N ATOM 131 CA LYS A 30 7.694 -12.680 4.525 1.00 0.00 C ATOM 132 C LYS A 30 6.435 -13.535 4.679 1.00 0.00 C ATOM 133 O LYS A 30 6.112 -13.976 5.781 1.00 0.00 O ATOM 134 CB LYS A 30 8.940 -13.301 5.158 1.00 0.00 C ATOM 135 CG LYS A 30 9.940 -13.740 4.086 1.00 0.00 C ATOM 136 CD LYS A 30 10.544 -15.104 4.425 1.00 0.00 C ATOM 137 CE LYS A 30 11.835 -14.947 5.233 1.00 0.00 C ATOM 138 NZ LYS A 30 12.895 -14.335 4.401 1.00 0.00 N ATOM 0 H LYS A 30 7.953 -11.154 5.937 1.00 0.00 H new ATOM 0 HA LYS A 30 7.907 -12.614 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.411 -12.580 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.654 -14.159 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.442 -13.789 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.734 -12.998 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.824 -15.693 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.750 -15.653 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.649 -14.327 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.165 -15.921 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.827 -14.635 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.781 -14.640 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.823 -13.299 4.454 1.00 0.00 H new ATOM 152 N GLY A 31 5.758 -13.742 3.560 1.00 0.00 N ATOM 153 CA GLY A 31 4.540 -14.537 3.558 1.00 0.00 C ATOM 154 C GLY A 31 3.361 -13.730 3.014 1.00 0.00 C ATOM 155 O GLY A 31 2.569 -14.238 2.222 1.00 0.00 O ATOM 0 H GLY A 31 6.029 -13.374 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.685 -15.430 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.319 -14.873 4.571 1.00 0.00 H new ATOM 159 N PHE A 32 3.279 -12.485 3.462 1.00 0.00 N ATOM 160 CA PHE A 32 2.208 -11.602 3.030 1.00 0.00 C ATOM 161 C PHE A 32 1.990 -11.705 1.519 1.00 0.00 C ATOM 162 O PHE A 32 2.863 -12.175 0.792 1.00 0.00 O ATOM 163 CB PHE A 32 2.638 -10.176 3.376 1.00 0.00 C ATOM 164 CG PHE A 32 2.096 -9.669 4.713 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.308 -10.385 5.849 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.398 -8.501 4.766 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.804 -9.916 7.090 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.894 -8.031 6.008 1.00 0.00 C ATOM 169 CZ PHE A 32 1.107 -8.748 7.143 1.00 0.00 C ATOM 0 H PHE A 32 3.937 -12.067 4.120 1.00 0.00 H new ATOM 0 HA PHE A 32 1.276 -11.877 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.727 -10.131 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.306 -9.505 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.861 -11.312 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.228 -7.932 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.973 -10.486 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.342 -7.104 6.051 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.723 -8.391 8.087 1.00 0.00 H new ATOM 179 N PRO A 33 0.789 -11.245 1.081 1.00 0.00 N ATOM 180 CA PRO A 33 0.443 -11.279 -0.330 1.00 0.00 C ATOM 181 C PRO A 33 1.182 -10.185 -1.104 1.00 0.00 C ATOM 182 O PRO A 33 1.127 -9.013 -0.734 1.00 0.00 O ATOM 183 CB PRO A 33 -1.067 -11.116 -0.370 1.00 0.00 C ATOM 184 CG PRO A 33 -1.459 -10.532 0.977 1.00 0.00 C ATOM 185 CD PRO A 33 -0.271 -10.680 1.912 1.00 0.00 C ATOM 0 HA PRO A 33 0.743 -12.209 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.367 -10.456 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.559 -12.074 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.734 -9.483 0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.329 -11.051 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.025 -9.718 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.507 -11.334 2.751 1.00 0.00 H new ATOM 193 N THR A 34 1.859 -10.608 -2.162 1.00 0.00 N ATOM 194 CA THR A 34 2.610 -9.679 -2.989 1.00 0.00 C ATOM 195 C THR A 34 2.316 -9.927 -4.470 1.00 0.00 C ATOM 196 O THR A 34 3.181 -9.722 -5.321 1.00 0.00 O ATOM 197 CB THR A 34 4.092 -9.819 -2.632 1.00 0.00 C ATOM 198 OG1 THR A 34 4.509 -10.986 -3.335 1.00 0.00 O ATOM 199 CG2 THR A 34 4.308 -10.172 -1.160 1.00 0.00 C ATOM 0 H THR A 34 1.903 -11.581 -2.465 1.00 0.00 H new ATOM 0 HA THR A 34 2.311 -8.648 -2.798 1.00 0.00 H new ATOM 0 HB THR A 34 4.611 -8.888 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.459 -11.150 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.376 -10.260 -0.960 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.884 -9.388 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.818 -11.120 -0.938 1.00 0.00 H new ATOM 207 N ASP A 35 1.093 -10.362 -4.733 1.00 0.00 N ATOM 208 CA ASP A 35 0.673 -10.642 -6.096 1.00 0.00 C ATOM 209 C ASP A 35 -0.574 -9.815 -6.419 1.00 0.00 C ATOM 210 O ASP A 35 -1.348 -9.478 -5.527 1.00 0.00 O ATOM 211 CB ASP A 35 0.321 -12.119 -6.273 1.00 0.00 C ATOM 212 CG ASP A 35 1.350 -12.942 -7.050 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.428 -13.194 -6.470 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.038 -13.298 -8.206 1.00 0.00 O ATOM 0 H ASP A 35 0.378 -10.528 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 35 1.497 -10.388 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.190 -12.566 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.639 -12.189 -6.785 1.00 0.00 H new ATOM 219 N TYR A 36 -0.727 -9.512 -7.701 1.00 0.00 N ATOM 220 CA TYR A 36 -1.866 -8.733 -8.154 1.00 0.00 C ATOM 221 C TYR A 36 -3.179 -9.340 -7.658 1.00 0.00 C ATOM 222 O TYR A 36 -3.976 -8.664 -7.008 1.00 0.00 O ATOM 223 CB TYR A 36 -1.835 -8.791 -9.682 1.00 0.00 C ATOM 224 CG TYR A 36 -0.963 -7.713 -10.329 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.379 -7.635 -10.020 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.519 -6.818 -11.222 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.200 -6.620 -10.629 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.698 -5.804 -11.829 1.00 0.00 C ATOM 229 CZ TYR A 36 0.621 -5.755 -11.502 1.00 0.00 C ATOM 230 OH TYR A 36 1.396 -4.796 -12.077 1.00 0.00 O ATOM 0 H TYR A 36 -0.081 -9.792 -8.439 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.809 -7.713 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.472 -9.771 -9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.853 -8.695 -10.060 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.814 -8.335 -9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.570 -6.879 -11.465 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.252 -6.548 -10.397 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.120 -5.098 -12.529 1.00 0.00 H new ATOM 0 HH TYR A 36 1.220 -4.768 -13.041 1.00 0.00 H new ATOM 240 N ASP A 37 -3.366 -10.612 -7.985 1.00 0.00 N ATOM 241 CA ASP A 37 -4.569 -11.319 -7.581 1.00 0.00 C ATOM 242 C ASP A 37 -4.650 -11.348 -6.053 1.00 0.00 C ATOM 243 O ASP A 37 -5.680 -11.001 -5.476 1.00 0.00 O ATOM 244 CB ASP A 37 -4.553 -12.766 -8.081 1.00 0.00 C ATOM 245 CG ASP A 37 -3.553 -13.682 -7.373 1.00 0.00 C ATOM 246 OD1 ASP A 37 -2.340 -13.468 -7.581 1.00 0.00 O ATOM 247 OD2 ASP A 37 -4.027 -14.578 -6.640 1.00 0.00 O ATOM 0 H ASP A 37 -2.704 -11.170 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.425 -10.799 -8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.552 -13.186 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.329 -12.764 -9.148 1.00 0.00 H new ATOM 252 N SER A 38 -3.551 -11.766 -5.442 1.00 0.00 N ATOM 253 CA SER A 38 -3.486 -11.845 -3.992 1.00 0.00 C ATOM 254 C SER A 38 -3.964 -10.529 -3.374 1.00 0.00 C ATOM 255 O SER A 38 -4.846 -10.527 -2.517 1.00 0.00 O ATOM 256 CB SER A 38 -2.065 -12.166 -3.523 1.00 0.00 C ATOM 257 OG SER A 38 -1.772 -13.557 -3.620 1.00 0.00 O ATOM 0 H SER A 38 -2.699 -12.053 -5.924 1.00 0.00 H new ATOM 0 HA SER A 38 -4.141 -12.652 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.350 -11.602 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.942 -11.841 -2.490 1.00 0.00 H new ATOM 0 HG SER A 38 -0.856 -13.720 -3.313 1.00 0.00 H new ATOM 263 N ILE A 39 -3.360 -9.443 -3.833 1.00 0.00 N ATOM 264 CA ILE A 39 -3.714 -8.124 -3.336 1.00 0.00 C ATOM 265 C ILE A 39 -5.116 -7.757 -3.828 1.00 0.00 C ATOM 266 O ILE A 39 -5.866 -7.079 -3.126 1.00 0.00 O ATOM 267 CB ILE A 39 -2.641 -7.102 -3.719 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.281 -7.489 -3.135 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.060 -5.689 -3.309 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.151 -6.718 -3.818 1.00 0.00 C ATOM 0 H ILE A 39 -2.628 -9.449 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.748 -8.124 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.537 -7.106 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.270 -7.285 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.121 -8.560 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.280 -4.982 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.990 -5.425 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.208 -5.652 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.805 -7.012 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.150 -6.943 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.301 -5.648 -3.673 1.00 0.00 H new ATOM 282 N LYS A 40 -5.427 -8.223 -5.028 1.00 0.00 N ATOM 283 CA LYS A 40 -6.726 -7.952 -5.622 1.00 0.00 C ATOM 284 C LYS A 40 -7.826 -8.451 -4.682 1.00 0.00 C ATOM 285 O LYS A 40 -8.861 -7.804 -4.532 1.00 0.00 O ATOM 286 CB LYS A 40 -6.806 -8.545 -7.030 1.00 0.00 C ATOM 287 CG LYS A 40 -8.168 -8.264 -7.666 1.00 0.00 C ATOM 288 CD LYS A 40 -8.708 -9.507 -8.376 1.00 0.00 C ATOM 289 CE LYS A 40 -9.283 -9.149 -9.749 1.00 0.00 C ATOM 290 NZ LYS A 40 -10.609 -8.508 -9.604 1.00 0.00 N ATOM 0 H LYS A 40 -4.803 -8.786 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.872 -6.879 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.016 -8.123 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.636 -9.621 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.873 -7.944 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.079 -7.444 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.909 -10.239 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.481 -9.972 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.602 -8.476 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.372 -10.048 -10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.985 -8.272 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.260 -9.162 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.515 -7.639 -9.040 1.00 0.00 H new ATOM 304 N ARG A 41 -7.562 -9.597 -4.071 1.00 0.00 N ATOM 305 CA ARG A 41 -8.517 -10.190 -3.149 1.00 0.00 C ATOM 306 C ARG A 41 -8.523 -9.423 -1.825 1.00 0.00 C ATOM 307 O ARG A 41 -9.559 -9.315 -1.171 1.00 0.00 O ATOM 308 CB ARG A 41 -8.181 -11.658 -2.879 1.00 0.00 C ATOM 309 CG ARG A 41 -8.737 -12.561 -3.980 1.00 0.00 C ATOM 310 CD ARG A 41 -7.732 -12.715 -5.123 1.00 0.00 C ATOM 311 NE ARG A 41 -8.040 -13.931 -5.910 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.108 -14.055 -6.710 1.00 0.00 C ATOM 313 NH1 ARG A 41 -9.974 -13.041 -6.835 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.309 -15.196 -7.386 1.00 0.00 N ATOM 0 H ARG A 41 -6.702 -10.130 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.503 -10.133 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.100 -11.781 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.594 -11.958 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.975 -13.541 -3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.668 -12.142 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.765 -11.837 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.720 -12.778 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.400 -14.722 -5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.821 -12.173 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.787 -13.136 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.649 -15.968 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.122 -15.292 -7.995 1.00 0.00 H new ATOM 328 N LYS A 42 -7.355 -8.910 -1.470 1.00 0.00 N ATOM 329 CA LYS A 42 -7.212 -8.155 -0.236 1.00 0.00 C ATOM 330 C LYS A 42 -8.049 -6.877 -0.326 1.00 0.00 C ATOM 331 O LYS A 42 -8.789 -6.550 0.601 1.00 0.00 O ATOM 332 CB LYS A 42 -5.735 -7.903 0.071 1.00 0.00 C ATOM 333 CG LYS A 42 -5.563 -7.276 1.456 1.00 0.00 C ATOM 334 CD LYS A 42 -5.791 -8.312 2.558 1.00 0.00 C ATOM 335 CE LYS A 42 -4.740 -8.177 3.663 1.00 0.00 C ATOM 336 NZ LYS A 42 -3.589 -9.067 3.394 1.00 0.00 N ATOM 0 H LYS A 42 -6.498 -9.002 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.595 -8.729 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.184 -8.842 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.310 -7.244 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.561 -6.857 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.266 -6.451 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.787 -8.185 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.751 -9.315 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.401 -7.143 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.183 -8.427 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.885 -8.963 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.915 -10.054 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.157 -8.810 2.484 1.00 0.00 H new ATOM 350 N ILE A 43 -7.904 -6.191 -1.449 1.00 0.00 N ATOM 351 CA ILE A 43 -8.636 -4.956 -1.672 1.00 0.00 C ATOM 352 C ILE A 43 -10.129 -5.208 -1.455 1.00 0.00 C ATOM 353 O ILE A 43 -10.775 -4.504 -0.680 1.00 0.00 O ATOM 354 CB ILE A 43 -8.303 -4.376 -3.048 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.802 -4.121 -3.188 1.00 0.00 C ATOM 356 CG2 ILE A 43 -9.128 -3.118 -3.327 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.380 -4.120 -4.658 1.00 0.00 C ATOM 0 H ILE A 43 -7.290 -6.467 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.332 -4.197 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.575 -5.113 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.548 -3.164 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.247 -4.888 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.872 -2.726 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.189 -3.365 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.911 -2.365 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.308 -3.936 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.613 -5.087 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.918 -3.336 -5.191 1.00 0.00 H new ATOM 369 N SER A 44 -10.635 -6.214 -2.154 1.00 0.00 N ATOM 370 CA SER A 44 -12.041 -6.568 -2.048 1.00 0.00 C ATOM 371 C SER A 44 -12.334 -7.129 -0.655 1.00 0.00 C ATOM 372 O SER A 44 -13.341 -6.778 -0.041 1.00 0.00 O ATOM 373 CB SER A 44 -12.436 -7.581 -3.124 1.00 0.00 C ATOM 374 OG SER A 44 -12.370 -8.921 -2.644 1.00 0.00 O ATOM 0 H SER A 44 -10.096 -6.795 -2.796 1.00 0.00 H new ATOM 0 HA SER A 44 -12.635 -5.667 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.448 -7.368 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.777 -7.471 -3.985 1.00 0.00 H new ATOM 0 HG SER A 44 -12.631 -9.538 -3.359 1.00 0.00 H new ATOM 380 N GLU A 45 -11.439 -7.990 -0.197 1.00 0.00 N ATOM 381 CA GLU A 45 -11.589 -8.603 1.111 1.00 0.00 C ATOM 382 C GLU A 45 -11.665 -7.527 2.196 1.00 0.00 C ATOM 383 O GLU A 45 -12.222 -7.759 3.269 1.00 0.00 O ATOM 384 CB GLU A 45 -10.450 -9.585 1.392 1.00 0.00 C ATOM 385 CG GLU A 45 -10.730 -10.947 0.754 1.00 0.00 C ATOM 386 CD GLU A 45 -10.676 -12.064 1.800 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.709 -12.258 2.477 1.00 0.00 O ATOM 388 OE2 GLU A 45 -9.603 -12.696 1.899 1.00 0.00 O ATOM 0 H GLU A 45 -10.606 -8.278 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.521 -9.168 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.514 -9.183 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.324 -9.703 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.711 -10.935 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.999 -11.143 -0.030 1.00 0.00 H new ATOM 395 N LEU A 46 -11.097 -6.373 1.880 1.00 0.00 N ATOM 396 CA LEU A 46 -11.093 -5.259 2.815 1.00 0.00 C ATOM 397 C LEU A 46 -12.360 -4.426 2.613 1.00 0.00 C ATOM 398 O LEU A 46 -12.817 -3.752 3.535 1.00 0.00 O ATOM 399 CB LEU A 46 -9.799 -4.453 2.683 1.00 0.00 C ATOM 400 CG LEU A 46 -9.896 -3.158 1.875 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.255 -1.975 2.777 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.610 -2.907 1.085 1.00 0.00 C ATOM 0 H LEU A 46 -10.636 -6.184 0.990 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.110 -5.623 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.443 -4.208 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.043 -5.089 2.223 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.703 -3.267 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.318 -1.067 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.216 -2.161 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.487 -1.854 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.706 -1.980 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.769 -2.826 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.438 -3.735 0.398 1.00 0.00 H new ATOM 414 N GLY A 47 -12.892 -4.500 1.402 1.00 0.00 N ATOM 415 CA GLY A 47 -14.097 -3.760 1.068 1.00 0.00 C ATOM 416 C GLY A 47 -13.804 -2.671 0.035 1.00 0.00 C ATOM 417 O GLY A 47 -14.555 -1.703 -0.080 1.00 0.00 O ATOM 0 H GLY A 47 -12.511 -5.061 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.851 -4.443 0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.512 -3.309 1.969 1.00 0.00 H new ATOM 421 N PHE A 48 -12.712 -2.865 -0.689 1.00 0.00 N ATOM 422 CA PHE A 48 -12.310 -1.910 -1.708 1.00 0.00 C ATOM 423 C PHE A 48 -12.428 -2.519 -3.107 1.00 0.00 C ATOM 424 O PHE A 48 -12.738 -3.701 -3.249 1.00 0.00 O ATOM 425 CB PHE A 48 -10.846 -1.559 -1.439 1.00 0.00 C ATOM 426 CG PHE A 48 -10.634 -0.648 -0.228 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.704 -0.240 0.509 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.381 -0.248 0.112 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.508 0.606 1.632 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.186 0.598 1.237 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.254 1.006 1.973 1.00 0.00 C ATOM 0 H PHE A 48 -12.093 -3.669 -0.590 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.953 -1.031 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.284 -2.481 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.432 -1.073 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.700 -0.559 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.533 -0.573 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.356 0.932 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.190 0.917 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.106 1.648 2.829 1.00 0.00 H new ATOM 441 N ASP A 49 -12.176 -1.684 -4.104 1.00 0.00 N ATOM 442 CA ASP A 49 -12.251 -2.126 -5.486 1.00 0.00 C ATOM 443 C ASP A 49 -10.857 -2.057 -6.114 1.00 0.00 C ATOM 444 O ASP A 49 -10.000 -1.305 -5.653 1.00 0.00 O ATOM 445 CB ASP A 49 -13.181 -1.227 -6.302 1.00 0.00 C ATOM 446 CG ASP A 49 -14.487 -1.886 -6.751 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.108 -2.553 -5.897 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.834 -1.707 -7.938 1.00 0.00 O ATOM 0 H ASP A 49 -11.920 -0.704 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.637 -3.146 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.422 -0.345 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.644 -0.880 -7.185 1.00 0.00 H new ATOM 453 N VAL A 50 -10.673 -2.854 -7.157 1.00 0.00 N ATOM 454 CA VAL A 50 -9.398 -2.892 -7.853 1.00 0.00 C ATOM 455 C VAL A 50 -9.647 -2.963 -9.361 1.00 0.00 C ATOM 456 O VAL A 50 -10.426 -3.794 -9.827 1.00 0.00 O ATOM 457 CB VAL A 50 -8.552 -4.057 -7.332 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.371 -5.349 -7.283 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.290 -4.238 -8.175 1.00 0.00 C ATOM 0 H VAL A 50 -11.385 -3.478 -7.536 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.830 -1.982 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.242 -3.818 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.747 -6.161 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.225 -5.213 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.724 -5.594 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.707 -5.072 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.569 -4.444 -9.208 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.692 -3.327 -8.135 1.00 0.00 H new ATOM 469 N LYS A 51 -8.972 -2.080 -10.082 1.00 0.00 N ATOM 470 CA LYS A 51 -9.111 -2.032 -11.527 1.00 0.00 C ATOM 471 C LYS A 51 -7.792 -2.459 -12.177 1.00 0.00 C ATOM 472 O LYS A 51 -6.717 -2.162 -11.658 1.00 0.00 O ATOM 473 CB LYS A 51 -9.598 -0.652 -11.974 1.00 0.00 C ATOM 474 CG LYS A 51 -10.750 -0.166 -11.093 1.00 0.00 C ATOM 475 CD LYS A 51 -11.977 -1.067 -11.248 1.00 0.00 C ATOM 476 CE LYS A 51 -13.263 -0.301 -10.938 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.357 -1.238 -10.598 1.00 0.00 N ATOM 0 H LYS A 51 -8.327 -1.392 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.874 -2.736 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.775 0.061 -11.928 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.924 -0.696 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.434 -0.152 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.010 0.858 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.019 -1.458 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.890 -1.924 -10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.093 0.385 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.549 0.304 -11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.273 -0.790 -10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.261 -2.104 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.307 -1.478 -9.587 1.00 0.00 H new ATOM 491 N SER A 52 -7.919 -3.149 -13.301 1.00 0.00 N ATOM 492 CA SER A 52 -6.751 -3.617 -14.026 1.00 0.00 C ATOM 493 C SER A 52 -6.441 -2.674 -15.189 1.00 0.00 C ATOM 494 O SER A 52 -7.048 -2.775 -16.254 1.00 0.00 O ATOM 495 CB SER A 52 -6.959 -5.044 -14.541 1.00 0.00 C ATOM 496 OG SER A 52 -6.748 -6.016 -13.522 1.00 0.00 O ATOM 0 H SER A 52 -8.813 -3.395 -13.727 1.00 0.00 H new ATOM 0 HA SER A 52 -5.904 -3.625 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.971 -5.144 -14.933 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.276 -5.233 -15.369 1.00 0.00 H new ATOM 0 HG SER A 52 -6.892 -6.913 -13.890 1.00 0.00 H new ATOM 502 N GLU A 53 -5.497 -1.776 -14.946 1.00 0.00 N ATOM 503 CA GLU A 53 -5.100 -0.814 -15.959 1.00 0.00 C ATOM 504 C GLU A 53 -3.895 -1.337 -16.743 1.00 0.00 C ATOM 505 O GLU A 53 -2.753 -1.166 -16.320 1.00 0.00 O ATOM 506 CB GLU A 53 -4.798 0.549 -15.334 1.00 0.00 C ATOM 507 CG GLU A 53 -5.768 1.616 -15.849 1.00 0.00 C ATOM 508 CD GLU A 53 -5.140 2.420 -16.990 1.00 0.00 C ATOM 509 OE1 GLU A 53 -4.100 3.060 -16.728 1.00 0.00 O ATOM 510 OE2 GLU A 53 -5.717 2.374 -18.098 1.00 0.00 O ATOM 0 H GLU A 53 -4.996 -1.695 -14.061 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.931 -0.682 -16.652 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.871 0.480 -14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.774 0.841 -15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.686 1.142 -16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.043 2.286 -15.035 1.00 0.00 H new ATOM 517 N GLY A 54 -4.190 -1.963 -17.874 1.00 0.00 N ATOM 518 CA GLY A 54 -3.145 -2.512 -18.720 1.00 0.00 C ATOM 519 C GLY A 54 -2.423 -3.667 -18.022 1.00 0.00 C ATOM 520 O GLY A 54 -2.947 -4.777 -17.948 1.00 0.00 O ATOM 0 H GLY A 54 -5.138 -2.102 -18.223 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.578 -2.862 -19.657 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.429 -1.730 -18.972 1.00 0.00 H new ATOM 524 N ASP A 55 -1.231 -3.366 -17.528 1.00 0.00 N ATOM 525 CA ASP A 55 -0.432 -4.365 -16.840 1.00 0.00 C ATOM 526 C ASP A 55 -0.176 -3.906 -15.403 1.00 0.00 C ATOM 527 O ASP A 55 0.455 -4.617 -14.622 1.00 0.00 O ATOM 528 CB ASP A 55 0.923 -4.555 -17.525 1.00 0.00 C ATOM 529 CG ASP A 55 0.855 -5.099 -18.953 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.545 -4.290 -19.853 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.115 -6.311 -19.111 1.00 0.00 O ATOM 0 H ASP A 55 -0.799 -2.444 -17.591 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.980 -5.307 -16.859 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.442 -3.597 -17.542 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.526 -5.234 -16.922 1.00 0.00 H new ATOM 536 N LEU A 56 -0.679 -2.717 -15.097 1.00 0.00 N ATOM 537 CA LEU A 56 -0.513 -2.154 -13.768 1.00 0.00 C ATOM 538 C LEU A 56 -1.757 -2.454 -12.933 1.00 0.00 C ATOM 539 O LEU A 56 -2.799 -2.822 -13.473 1.00 0.00 O ATOM 540 CB LEU A 56 -0.174 -0.665 -13.856 1.00 0.00 C ATOM 541 CG LEU A 56 1.052 -0.303 -14.697 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.789 0.900 -14.104 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.975 -1.512 -14.868 1.00 0.00 C ATOM 0 H LEU A 56 -1.201 -2.129 -15.747 1.00 0.00 H new ATOM 0 HA LEU A 56 0.331 -2.619 -13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.038 -0.140 -14.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.020 -0.288 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 56 0.711 -0.014 -15.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.656 1.136 -14.721 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.119 1.759 -14.076 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.118 0.663 -13.092 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.839 -1.228 -15.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.311 -1.854 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.433 -2.315 -15.367 1.00 0.00 H new ATOM 555 N ILE A 57 -1.608 -2.287 -11.626 1.00 0.00 N ATOM 556 CA ILE A 57 -2.709 -2.535 -10.709 1.00 0.00 C ATOM 557 C ILE A 57 -3.199 -1.204 -10.137 1.00 0.00 C ATOM 558 O ILE A 57 -2.398 -0.322 -9.835 1.00 0.00 O ATOM 559 CB ILE A 57 -2.298 -3.550 -9.642 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.395 -4.594 -9.426 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.910 -2.848 -8.339 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.096 -5.459 -8.200 1.00 0.00 C ATOM 0 H ILE A 57 -0.742 -1.983 -11.181 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.551 -2.985 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.415 -4.081 -9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.356 -4.096 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.479 -5.226 -10.310 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.622 -3.592 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.072 -2.176 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.760 -2.275 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.892 -6.193 -8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.146 -5.975 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.037 -4.827 -7.314 1.00 0.00 H new ATOM 574 N ILE A 58 -4.514 -1.102 -10.004 1.00 0.00 N ATOM 575 CA ILE A 58 -5.121 0.107 -9.473 1.00 0.00 C ATOM 576 C ILE A 58 -5.970 -0.250 -8.251 1.00 0.00 C ATOM 577 O ILE A 58 -6.772 -1.182 -8.298 1.00 0.00 O ATOM 578 CB ILE A 58 -5.895 0.843 -10.567 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.007 1.110 -11.784 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.524 2.128 -10.023 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.881 2.086 -11.437 1.00 0.00 C ATOM 0 H ILE A 58 -5.176 -1.837 -10.255 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.353 0.804 -9.136 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.710 0.200 -10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.583 0.172 -12.142 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.609 1.518 -12.596 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.069 2.633 -10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.211 1.882 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.740 2.786 -9.647 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.265 2.259 -12.319 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.309 3.031 -11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.266 1.664 -10.642 1.00 0.00 H new ATOM 593 N ALA A 59 -5.766 0.512 -7.185 1.00 0.00 N ATOM 594 CA ALA A 59 -6.503 0.287 -5.954 1.00 0.00 C ATOM 595 C ALA A 59 -7.601 1.344 -5.822 1.00 0.00 C ATOM 596 O ALA A 59 -7.355 2.530 -6.040 1.00 0.00 O ATOM 597 CB ALA A 59 -5.534 0.304 -4.769 1.00 0.00 C ATOM 0 H ALA A 59 -5.101 1.285 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.985 -0.690 -5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.087 0.135 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.790 -0.483 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.034 1.272 -4.721 1.00 0.00 H new ATOM 603 N SER A 60 -8.789 0.876 -5.468 1.00 0.00 N ATOM 604 CA SER A 60 -9.926 1.767 -5.306 1.00 0.00 C ATOM 605 C SER A 60 -10.278 1.900 -3.822 1.00 0.00 C ATOM 606 O SER A 60 -10.863 0.992 -3.235 1.00 0.00 O ATOM 607 CB SER A 60 -11.136 1.264 -6.095 1.00 0.00 C ATOM 608 OG SER A 60 -12.135 2.270 -6.240 1.00 0.00 O ATOM 0 H SER A 60 -8.989 -0.108 -5.289 1.00 0.00 H new ATOM 0 HA SER A 60 -9.652 2.747 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.812 0.930 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.564 0.398 -5.589 1.00 0.00 H new ATOM 0 HG SER A 60 -12.890 1.910 -6.751 1.00 0.00 H new ATOM 614 N ILE A 61 -9.906 3.042 -3.259 1.00 0.00 N ATOM 615 CA ILE A 61 -10.176 3.306 -1.858 1.00 0.00 C ATOM 616 C ILE A 61 -10.960 4.613 -1.730 1.00 0.00 C ATOM 617 O ILE A 61 -10.850 5.493 -2.584 1.00 0.00 O ATOM 618 CB ILE A 61 -8.877 3.287 -1.049 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.068 4.565 -1.281 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.060 2.029 -1.354 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.740 4.520 -0.521 1.00 0.00 C ATOM 0 H ILE A 61 -9.420 3.793 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.800 2.518 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.134 3.256 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.877 4.690 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.647 5.430 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.142 2.040 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.644 1.145 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.811 2.005 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.185 5.440 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.935 4.419 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.153 3.668 -0.864 1.00 0.00 H new ATOM 633 N PRO A 62 -11.753 4.704 -0.630 1.00 0.00 N ATOM 634 CA PRO A 62 -12.555 5.889 -0.380 1.00 0.00 C ATOM 635 C PRO A 62 -11.685 7.047 0.111 1.00 0.00 C ATOM 636 O PRO A 62 -10.853 6.869 1.000 1.00 0.00 O ATOM 637 CB PRO A 62 -13.595 5.454 0.639 1.00 0.00 C ATOM 638 CG PRO A 62 -13.054 4.180 1.269 1.00 0.00 C ATOM 639 CD PRO A 62 -11.909 3.683 0.403 1.00 0.00 C ATOM 0 HA PRO A 62 -13.035 6.269 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.751 6.226 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.558 5.275 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.709 4.373 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.837 3.425 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.995 3.566 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.136 2.710 -0.033 1.00 0.00 H new ATOM 647 N GLY A 63 -11.906 8.207 -0.488 1.00 0.00 N ATOM 648 CA GLY A 63 -11.151 9.394 -0.123 1.00 0.00 C ATOM 649 C GLY A 63 -10.040 9.673 -1.138 1.00 0.00 C ATOM 650 O GLY A 63 -9.598 10.811 -1.283 1.00 0.00 O ATOM 0 H GLY A 63 -12.597 8.351 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.821 10.252 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.718 9.263 0.869 1.00 0.00 H new ATOM 654 N ILE A 64 -9.623 8.612 -1.814 1.00 0.00 N ATOM 655 CA ILE A 64 -8.572 8.728 -2.811 1.00 0.00 C ATOM 656 C ILE A 64 -9.184 8.606 -4.208 1.00 0.00 C ATOM 657 O ILE A 64 -10.221 7.968 -4.381 1.00 0.00 O ATOM 658 CB ILE A 64 -7.459 7.714 -2.537 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.571 8.175 -1.379 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.648 7.433 -3.805 1.00 0.00 C ATOM 661 CD1 ILE A 64 -7.110 7.666 -0.041 1.00 0.00 C ATOM 0 H ILE A 64 -9.993 7.670 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.100 9.709 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.920 6.774 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.554 7.811 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.521 9.264 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.864 6.709 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.305 7.030 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.197 8.359 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.461 8.007 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.117 8.051 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.136 6.576 -0.050 1.00 0.00 H new ATOM 673 N SER A 65 -8.518 9.229 -5.168 1.00 0.00 N ATOM 674 CA SER A 65 -8.984 9.198 -6.544 1.00 0.00 C ATOM 675 C SER A 65 -8.481 7.930 -7.238 1.00 0.00 C ATOM 676 O SER A 65 -9.278 7.092 -7.660 1.00 0.00 O ATOM 677 CB SER A 65 -8.523 10.440 -7.310 1.00 0.00 C ATOM 678 OG SER A 65 -9.552 11.421 -7.405 1.00 0.00 O ATOM 0 H SER A 65 -7.659 9.759 -5.021 1.00 0.00 H new ATOM 0 HA SER A 65 -10.074 9.193 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.655 10.872 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.204 10.151 -8.311 1.00 0.00 H new ATOM 0 HG SER A 65 -9.218 12.199 -7.899 1.00 0.00 H new ATOM 684 N ARG A 66 -7.164 7.830 -7.336 1.00 0.00 N ATOM 685 CA ARG A 66 -6.546 6.678 -7.973 1.00 0.00 C ATOM 686 C ARG A 66 -5.124 6.481 -7.446 1.00 0.00 C ATOM 687 O ARG A 66 -4.383 7.446 -7.269 1.00 0.00 O ATOM 688 CB ARG A 66 -6.502 6.847 -9.492 1.00 0.00 C ATOM 689 CG ARG A 66 -5.623 8.037 -9.885 1.00 0.00 C ATOM 690 CD ARG A 66 -5.777 8.365 -11.372 1.00 0.00 C ATOM 691 NE ARG A 66 -4.600 7.874 -12.124 1.00 0.00 N ATOM 692 CZ ARG A 66 -4.514 7.861 -13.460 1.00 0.00 C ATOM 693 NH1 ARG A 66 -5.536 8.310 -14.202 1.00 0.00 N ATOM 694 NH2 ARG A 66 -3.407 7.398 -14.056 1.00 0.00 N ATOM 0 H ARG A 66 -6.507 8.527 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.150 5.802 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.116 5.937 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.512 6.994 -9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.894 8.907 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.580 7.811 -9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.685 7.906 -11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.881 9.442 -11.506 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.804 7.523 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.379 8.662 -13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.470 8.300 -15.220 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.629 7.055 -13.492 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.342 7.388 -15.074 1.00 0.00 H new ATOM 708 N ILE A 67 -4.786 5.221 -7.208 1.00 0.00 N ATOM 709 CA ILE A 67 -3.465 4.885 -6.704 1.00 0.00 C ATOM 710 C ILE A 67 -2.953 3.636 -7.426 1.00 0.00 C ATOM 711 O ILE A 67 -3.737 2.774 -7.816 1.00 0.00 O ATOM 712 CB ILE A 67 -3.492 4.746 -5.180 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.580 3.766 -4.737 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.642 6.112 -4.509 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.878 4.504 -4.401 1.00 0.00 C ATOM 0 H ILE A 67 -5.403 4.422 -7.355 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.760 5.689 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.537 4.332 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.765 3.040 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.239 3.208 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.659 5.986 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.802 6.748 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.573 6.577 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.635 3.785 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.695 5.212 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.229 5.042 -5.282 1.00 0.00 H new ATOM 727 N GLU A 68 -1.637 3.580 -7.581 1.00 0.00 N ATOM 728 CA GLU A 68 -1.010 2.452 -8.249 1.00 0.00 C ATOM 729 C GLU A 68 -0.224 1.609 -7.243 1.00 0.00 C ATOM 730 O GLU A 68 0.364 2.145 -6.304 1.00 0.00 O ATOM 731 CB GLU A 68 -0.110 2.923 -9.393 1.00 0.00 C ATOM 732 CG GLU A 68 -0.793 2.721 -10.747 1.00 0.00 C ATOM 733 CD GLU A 68 -0.031 3.446 -11.858 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.098 3.902 -11.569 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.592 3.526 -12.972 1.00 0.00 O ATOM 0 H GLU A 68 -0.989 4.297 -7.256 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.793 1.829 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.134 3.977 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.831 2.373 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.850 1.657 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.817 3.092 -10.701 1.00 0.00 H new ATOM 742 N ILE A 69 -0.236 0.305 -7.473 1.00 0.00 N ATOM 743 CA ILE A 69 0.469 -0.615 -6.599 1.00 0.00 C ATOM 744 C ILE A 69 1.414 -1.483 -7.434 1.00 0.00 C ATOM 745 O ILE A 69 0.982 -2.157 -8.368 1.00 0.00 O ATOM 746 CB ILE A 69 -0.523 -1.423 -5.758 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.904 -0.765 -5.761 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.007 -1.637 -4.340 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.882 0.561 -4.998 1.00 0.00 C ATOM 0 H ILE A 69 -0.723 -0.136 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 69 1.084 -0.066 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.634 -2.408 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.226 -0.592 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.632 -1.438 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.717 -2.214 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.951 -2.179 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.165 -0.671 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.876 1.008 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.583 0.382 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.171 1.240 -5.469 1.00 0.00 H new ATOM 761 N LYS A 70 2.687 -1.437 -7.067 1.00 0.00 N ATOM 762 CA LYS A 70 3.697 -2.208 -7.771 1.00 0.00 C ATOM 763 C LYS A 70 4.304 -3.237 -6.815 1.00 0.00 C ATOM 764 O LYS A 70 5.297 -2.957 -6.145 1.00 0.00 O ATOM 765 CB LYS A 70 4.730 -1.281 -8.414 1.00 0.00 C ATOM 766 CG LYS A 70 4.863 -1.561 -9.911 1.00 0.00 C ATOM 767 CD LYS A 70 3.525 -1.363 -10.627 1.00 0.00 C ATOM 768 CE LYS A 70 2.900 -2.709 -11.000 1.00 0.00 C ATOM 769 NZ LYS A 70 1.438 -2.683 -10.764 1.00 0.00 N ATOM 0 H LYS A 70 3.041 -0.878 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 70 3.247 -2.763 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.437 -0.242 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.696 -1.416 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.612 -0.898 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.214 -2.582 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.843 -0.807 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.674 -0.765 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.102 -2.933 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.356 -3.505 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.014 -3.565 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.252 -2.592 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.020 -1.874 -11.266 1.00 0.00 H new ATOM 783 N PRO A 71 3.665 -4.438 -6.780 1.00 0.00 N ATOM 784 CA PRO A 71 4.133 -5.509 -5.917 1.00 0.00 C ATOM 785 C PRO A 71 5.397 -6.158 -6.484 1.00 0.00 C ATOM 786 O PRO A 71 5.411 -6.599 -7.632 1.00 0.00 O ATOM 787 CB PRO A 71 2.962 -6.473 -5.819 1.00 0.00 C ATOM 788 CG PRO A 71 2.054 -6.148 -6.994 1.00 0.00 C ATOM 789 CD PRO A 71 2.487 -4.805 -7.559 1.00 0.00 C ATOM 0 HA PRO A 71 4.426 -5.156 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.303 -7.507 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.435 -6.352 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.124 -6.924 -7.757 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.013 -6.110 -6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.722 -4.879 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.698 -4.060 -7.458 1.00 0.00 H new ATOM 797 N ASP A 72 6.428 -6.197 -5.653 1.00 0.00 N ATOM 798 CA ASP A 72 7.694 -6.785 -6.057 1.00 0.00 C ATOM 799 C ASP A 72 8.164 -7.761 -4.978 1.00 0.00 C ATOM 800 O ASP A 72 7.943 -7.533 -3.790 1.00 0.00 O ATOM 801 CB ASP A 72 8.770 -5.712 -6.226 1.00 0.00 C ATOM 802 CG ASP A 72 9.616 -5.838 -7.494 1.00 0.00 C ATOM 803 OD1 ASP A 72 10.460 -6.758 -7.524 1.00 0.00 O ATOM 804 OD2 ASP A 72 9.399 -5.011 -8.406 1.00 0.00 O ATOM 0 H ASP A 72 6.413 -5.831 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 72 7.542 -7.295 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.289 -4.734 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.432 -5.744 -5.361 1.00 0.00 H new ATOM 809 N LYS A 73 8.806 -8.828 -5.429 1.00 0.00 N ATOM 810 CA LYS A 73 9.311 -9.841 -4.517 1.00 0.00 C ATOM 811 C LYS A 73 10.219 -9.177 -3.479 1.00 0.00 C ATOM 812 O LYS A 73 10.140 -9.489 -2.291 1.00 0.00 O ATOM 813 CB LYS A 73 9.988 -10.972 -5.293 1.00 0.00 C ATOM 814 CG LYS A 73 11.214 -10.460 -6.051 1.00 0.00 C ATOM 815 CD LYS A 73 11.804 -11.553 -6.944 1.00 0.00 C ATOM 816 CE LYS A 73 13.272 -11.266 -7.266 1.00 0.00 C ATOM 817 NZ LYS A 73 13.822 -12.313 -8.155 1.00 0.00 N ATOM 0 H LYS A 73 8.989 -9.014 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 73 8.490 -10.308 -3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.286 -11.763 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.279 -11.411 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.936 -9.599 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.968 -10.119 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.719 -12.519 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.232 -11.620 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.361 -10.291 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.851 -11.223 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.819 -12.103 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.754 -13.238 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.280 -12.335 -9.042 1.00 0.00 H new ATOM 831 N ARG A 74 11.059 -8.277 -3.964 1.00 0.00 N ATOM 832 CA ARG A 74 11.981 -7.567 -3.092 1.00 0.00 C ATOM 833 C ARG A 74 11.208 -6.695 -2.100 1.00 0.00 C ATOM 834 O ARG A 74 11.287 -6.906 -0.891 1.00 0.00 O ATOM 835 CB ARG A 74 12.936 -6.685 -3.900 1.00 0.00 C ATOM 836 CG ARG A 74 14.364 -7.230 -3.845 1.00 0.00 C ATOM 837 CD ARG A 74 15.385 -6.119 -4.097 1.00 0.00 C ATOM 838 NE ARG A 74 16.479 -6.622 -4.957 1.00 0.00 N ATOM 839 CZ ARG A 74 16.298 -7.126 -6.185 1.00 0.00 C ATOM 840 NH1 ARG A 74 15.065 -7.199 -6.705 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.350 -7.559 -6.894 1.00 0.00 N ATOM 0 H ARG A 74 11.122 -8.022 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 74 12.564 -8.311 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.602 -6.635 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.916 -5.668 -3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.547 -7.683 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.486 -8.017 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.898 -5.268 -4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.790 -5.764 -3.149 1.00 0.00 H new ATOM 0 HE ARG A 74 17.431 -6.583 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.264 -6.871 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.928 -7.583 -7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.289 -7.505 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.212 -7.943 -7.829 1.00 0.00 H new ATOM 855 N LYS A 75 10.481 -5.733 -2.649 1.00 0.00 N ATOM 856 CA LYS A 75 9.695 -4.828 -1.827 1.00 0.00 C ATOM 857 C LYS A 75 8.512 -4.304 -2.642 1.00 0.00 C ATOM 858 O LYS A 75 8.275 -4.756 -3.761 1.00 0.00 O ATOM 859 CB LYS A 75 10.581 -3.724 -1.249 1.00 0.00 C ATOM 860 CG LYS A 75 11.235 -2.906 -2.364 1.00 0.00 C ATOM 861 CD LYS A 75 12.655 -3.403 -2.648 1.00 0.00 C ATOM 862 CE LYS A 75 13.689 -2.324 -2.324 1.00 0.00 C ATOM 863 NZ LYS A 75 14.997 -2.662 -2.927 1.00 0.00 N ATOM 0 H LYS A 75 10.420 -5.560 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 75 9.281 -5.355 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.984 -3.069 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.352 -4.165 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.634 -2.974 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.264 -1.854 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.857 -4.295 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.741 -3.691 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.347 -1.360 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.794 -2.226 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.688 -1.919 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.329 -3.572 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.895 -2.733 -3.960 1.00 0.00 H new ATOM 877 N ILE A 76 7.800 -3.356 -2.049 1.00 0.00 N ATOM 878 CA ILE A 76 6.646 -2.765 -2.707 1.00 0.00 C ATOM 879 C ILE A 76 6.746 -1.240 -2.628 1.00 0.00 C ATOM 880 O ILE A 76 7.440 -0.703 -1.766 1.00 0.00 O ATOM 881 CB ILE A 76 5.350 -3.327 -2.122 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.944 -2.568 -0.857 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.469 -4.833 -1.874 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.547 -2.984 -0.392 1.00 0.00 C ATOM 0 H ILE A 76 8.000 -2.983 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 76 6.632 -3.030 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 76 4.554 -3.182 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.667 -2.761 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.962 -1.495 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.534 -5.208 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.677 -5.341 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.281 -5.023 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.283 -2.430 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.823 -2.767 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.539 -4.052 -0.176 1.00 0.00 H new ATOM 896 N LEU A 77 6.043 -0.586 -3.540 1.00 0.00 N ATOM 897 CA LEU A 77 6.043 0.867 -3.585 1.00 0.00 C ATOM 898 C LEU A 77 4.635 1.363 -3.920 1.00 0.00 C ATOM 899 O LEU A 77 3.850 0.643 -4.536 1.00 0.00 O ATOM 900 CB LEU A 77 7.118 1.373 -4.548 1.00 0.00 C ATOM 901 CG LEU A 77 7.245 0.615 -5.872 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.726 -0.817 -5.640 1.00 0.00 C ATOM 903 CD2 LEU A 77 5.930 0.660 -6.655 1.00 0.00 C ATOM 0 H LEU A 77 5.469 -1.035 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 77 6.302 1.278 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.914 2.420 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.081 1.337 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 77 8.000 1.112 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.808 -1.333 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.701 -0.799 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.013 -1.342 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.045 0.115 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.138 0.201 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.669 1.697 -6.868 1.00 0.00 H new ATOM 915 N VAL A 78 4.359 2.589 -3.501 1.00 0.00 N ATOM 916 CA VAL A 78 3.060 3.189 -3.749 1.00 0.00 C ATOM 917 C VAL A 78 3.250 4.550 -4.422 1.00 0.00 C ATOM 918 O VAL A 78 4.137 5.314 -4.042 1.00 0.00 O ATOM 919 CB VAL A 78 2.264 3.274 -2.444 1.00 0.00 C ATOM 920 CG1 VAL A 78 2.305 1.943 -1.691 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.774 4.418 -1.566 1.00 0.00 C ATOM 0 H VAL A 78 5.013 3.183 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 78 2.478 2.568 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 78 1.225 3.484 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.732 2.030 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.873 1.159 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.339 1.690 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.192 4.457 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.824 4.252 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.670 5.362 -2.101 1.00 0.00 H new ATOM 931 N ASN A 79 2.406 4.811 -5.408 1.00 0.00 N ATOM 932 CA ASN A 79 2.471 6.067 -6.137 1.00 0.00 C ATOM 933 C ASN A 79 1.071 6.679 -6.215 1.00 0.00 C ATOM 934 O ASN A 79 0.162 6.088 -6.797 1.00 0.00 O ATOM 935 CB ASN A 79 2.971 5.848 -7.566 1.00 0.00 C ATOM 936 CG ASN A 79 3.868 4.612 -7.649 1.00 0.00 C ATOM 937 OD1 ASN A 79 4.485 4.193 -6.684 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.906 4.051 -8.855 1.00 0.00 N ATOM 0 H ASN A 79 1.673 4.174 -5.720 1.00 0.00 H new ATOM 0 HA ASN A 79 3.160 6.728 -5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.121 5.731 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.524 6.726 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.476 3.220 -9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.365 4.452 -9.621 1.00 0.00 H new ATOM 945 N THR A 80 0.941 7.857 -5.621 1.00 0.00 N ATOM 946 CA THR A 80 -0.332 8.556 -5.617 1.00 0.00 C ATOM 947 C THR A 80 -0.252 9.815 -6.480 1.00 0.00 C ATOM 948 O THR A 80 0.815 10.158 -6.987 1.00 0.00 O ATOM 949 CB THR A 80 -0.710 8.841 -4.161 1.00 0.00 C ATOM 950 OG1 THR A 80 0.194 9.867 -3.762 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.379 7.671 -3.231 1.00 0.00 C ATOM 0 H THR A 80 1.697 8.344 -5.139 1.00 0.00 H new ATOM 0 HA THR A 80 -1.119 7.946 -6.060 1.00 0.00 H new ATOM 0 HB THR A 80 -1.775 9.064 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.018 10.114 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.667 7.925 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.926 6.785 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.692 7.470 -3.267 1.00 0.00 H new ATOM 959 N GLY A 81 -1.395 10.470 -6.623 1.00 0.00 N ATOM 960 CA GLY A 81 -1.469 11.684 -7.417 1.00 0.00 C ATOM 961 C GLY A 81 -1.910 12.873 -6.562 1.00 0.00 C ATOM 962 O GLY A 81 -1.074 13.602 -6.028 1.00 0.00 O ATOM 0 H GLY A 81 -2.278 10.182 -6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.496 11.892 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.171 11.543 -8.239 1.00 0.00 H new ATOM 966 N ASP A 82 -3.220 13.033 -6.459 1.00 0.00 N ATOM 967 CA ASP A 82 -3.782 14.122 -5.677 1.00 0.00 C ATOM 968 C ASP A 82 -5.010 13.618 -4.917 1.00 0.00 C ATOM 969 O ASP A 82 -5.850 12.917 -5.481 1.00 0.00 O ATOM 970 CB ASP A 82 -4.225 15.276 -6.579 1.00 0.00 C ATOM 971 CG ASP A 82 -4.230 16.653 -5.911 1.00 0.00 C ATOM 972 OD1 ASP A 82 -3.119 17.185 -5.700 1.00 0.00 O ATOM 973 OD2 ASP A 82 -5.345 17.143 -5.629 1.00 0.00 O ATOM 0 H ASP A 82 -3.910 12.427 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.013 14.476 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.567 15.312 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.228 15.064 -6.948 1.00 0.00 H new ATOM 978 N TYR A 83 -5.076 13.993 -3.647 1.00 0.00 N ATOM 979 CA TYR A 83 -6.188 13.588 -2.804 1.00 0.00 C ATOM 980 C TYR A 83 -7.289 14.650 -2.801 1.00 0.00 C ATOM 981 O TYR A 83 -7.039 15.811 -3.120 1.00 0.00 O ATOM 982 CB TYR A 83 -5.618 13.458 -1.390 1.00 0.00 C ATOM 983 CG TYR A 83 -5.068 12.067 -1.067 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.256 11.417 -1.975 1.00 0.00 C ATOM 985 CD2 TYR A 83 -5.383 11.462 0.133 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.739 10.109 -1.671 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.865 10.153 0.437 1.00 0.00 C ATOM 988 CZ TYR A 83 -4.068 9.541 -0.479 1.00 0.00 C ATOM 989 OH TYR A 83 -3.579 8.304 -0.192 1.00 0.00 O ATOM 0 H TYR A 83 -4.377 14.573 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.626 12.658 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.822 14.191 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.398 13.705 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.009 11.890 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.018 11.970 0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.104 9.590 -2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.104 9.668 1.372 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.254 7.791 0.299 1.00 0.00 H new ATOM 999 N ASP A 84 -8.486 14.213 -2.436 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.627 15.111 -2.387 1.00 0.00 C ATOM 1001 C ASP A 84 -9.431 16.116 -1.250 1.00 0.00 C ATOM 1002 O ASP A 84 -9.573 15.770 -0.079 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.923 14.342 -2.120 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.478 13.574 -3.321 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -12.092 14.238 -4.186 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -11.277 12.341 -3.349 1.00 0.00 O ATOM 0 H ASP A 84 -8.690 13.249 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.700 15.616 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.749 13.638 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.681 15.046 -1.776 1.00 0.00 H new ATOM 1011 N SER A 85 -9.109 17.342 -1.636 1.00 0.00 N ATOM 1012 CA SER A 85 -8.892 18.401 -0.664 1.00 0.00 C ATOM 1013 C SER A 85 -10.113 18.533 0.246 1.00 0.00 C ATOM 1014 O SER A 85 -9.976 18.785 1.442 1.00 0.00 O ATOM 1015 CB SER A 85 -8.598 19.733 -1.356 1.00 0.00 C ATOM 1016 OG SER A 85 -7.232 20.113 -1.225 1.00 0.00 O ATOM 0 H SER A 85 -8.993 17.626 -2.609 1.00 0.00 H new ATOM 0 HA SER A 85 -8.024 18.138 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.853 19.656 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.233 20.510 -0.931 1.00 0.00 H new ATOM 0 HG SER A 85 -7.085 20.968 -1.682 1.00 0.00 H new ATOM 1022 N ASP A 86 -11.282 18.356 -0.354 1.00 0.00 N ATOM 1023 CA ASP A 86 -12.526 18.453 0.388 1.00 0.00 C ATOM 1024 C ASP A 86 -12.488 17.482 1.569 1.00 0.00 C ATOM 1025 O ASP A 86 -12.702 17.881 2.713 1.00 0.00 O ATOM 1026 CB ASP A 86 -13.722 18.079 -0.492 1.00 0.00 C ATOM 1027 CG ASP A 86 -15.089 18.233 0.177 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -15.331 19.328 0.731 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -15.862 17.253 0.120 1.00 0.00 O ATOM 0 H ASP A 86 -11.393 18.146 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.636 19.482 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.701 18.698 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.607 17.044 -0.815 1.00 0.00 H new ATOM 1034 N ALA A 87 -12.212 16.225 1.253 1.00 0.00 N ATOM 1035 CA ALA A 87 -12.143 15.194 2.275 1.00 0.00 C ATOM 1036 C ALA A 87 -10.921 15.442 3.161 1.00 0.00 C ATOM 1037 O ALA A 87 -9.951 16.063 2.728 1.00 0.00 O ATOM 1038 CB ALA A 87 -12.112 13.817 1.610 1.00 0.00 C ATOM 0 H ALA A 87 -12.034 15.897 0.304 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.025 15.227 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.060 13.044 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.016 13.679 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.238 13.745 0.963 1.00 0.00 H new ATOM 1044 N ASP A 88 -11.006 14.943 4.386 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.919 15.104 5.336 1.00 0.00 C ATOM 1046 C ASP A 88 -8.757 14.194 4.932 1.00 0.00 C ATOM 1047 O ASP A 88 -8.763 13.001 5.232 1.00 0.00 O ATOM 1048 CB ASP A 88 -10.359 14.710 6.747 1.00 0.00 C ATOM 1049 CG ASP A 88 -11.161 15.776 7.496 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -10.663 16.921 7.559 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -12.254 15.423 7.987 1.00 0.00 O ATOM 0 H ASP A 88 -11.811 14.427 4.742 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.618 16.152 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.960 13.803 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.473 14.465 7.333 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.785 14.792 4.258 1.00 0.00 N ATOM 1057 CA LYS A 89 -6.618 14.050 3.811 1.00 0.00 C ATOM 1058 C LYS A 89 -5.983 13.337 5.006 1.00 0.00 C ATOM 1059 O LYS A 89 -5.381 12.277 4.851 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.655 14.971 3.061 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.965 15.944 4.022 1.00 0.00 C ATOM 1062 CD LYS A 89 -5.733 17.263 4.110 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.846 18.377 4.673 1.00 0.00 C ATOM 1064 NZ LYS A 89 -5.544 19.679 4.606 1.00 0.00 N ATOM 0 H LYS A 89 -7.782 15.782 4.011 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.907 13.278 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.905 14.374 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.199 15.530 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.894 15.494 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.946 16.134 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.093 17.545 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.610 17.136 4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.582 18.152 5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.914 18.428 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.928 20.423 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.774 19.899 3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.421 19.632 5.163 1.00 0.00 H new ATOM 1078 N LEU A 90 -6.141 13.948 6.171 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.590 13.385 7.392 1.00 0.00 C ATOM 1080 C LEU A 90 -6.442 12.191 7.827 1.00 0.00 C ATOM 1081 O LEU A 90 -5.927 11.232 8.402 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.453 14.465 8.466 1.00 0.00 C ATOM 1083 CG LEU A 90 -4.206 14.378 9.349 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -2.961 14.841 8.588 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -4.403 15.153 10.653 1.00 0.00 C ATOM 0 H LEU A 90 -6.643 14.827 6.295 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.581 13.012 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.460 15.439 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.333 14.424 9.108 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.049 13.333 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.089 14.769 9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.814 14.209 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.092 15.875 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.502 15.075 11.262 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.599 16.201 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.248 14.736 11.200 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.732 12.287 7.534 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.660 11.225 7.889 1.00 0.00 C ATOM 1099 C ALA A 91 -8.466 10.045 6.934 1.00 0.00 C ATOM 1100 O ALA A 91 -8.296 8.909 7.372 1.00 0.00 O ATOM 1101 CB ALA A 91 -10.089 11.770 7.862 1.00 0.00 C ATOM 0 H ALA A 91 -8.156 13.082 7.056 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.467 10.865 8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.786 10.976 8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.180 12.587 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.320 12.136 6.862 1.00 0.00 H new ATOM 1107 N VAL A 92 -8.500 10.356 5.645 1.00 0.00 N ATOM 1108 CA VAL A 92 -8.330 9.335 4.625 1.00 0.00 C ATOM 1109 C VAL A 92 -6.951 8.690 4.779 1.00 0.00 C ATOM 1110 O VAL A 92 -6.803 7.483 4.600 1.00 0.00 O ATOM 1111 CB VAL A 92 -8.557 9.940 3.238 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.941 10.583 3.140 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -7.459 10.947 2.893 1.00 0.00 C ATOM 0 H VAL A 92 -8.643 11.300 5.285 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.072 8.546 4.746 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.511 9.131 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.076 11.005 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.706 9.828 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.028 11.374 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.644 11.362 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.458 11.751 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.491 10.447 2.902 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.977 9.525 5.109 1.00 0.00 N ATOM 1124 CA VAL A 93 -4.615 9.051 5.289 1.00 0.00 C ATOM 1125 C VAL A 93 -4.616 7.863 6.253 1.00 0.00 C ATOM 1126 O VAL A 93 -3.814 6.942 6.109 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.718 10.200 5.754 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -2.642 9.699 6.719 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -3.092 10.925 4.562 1.00 0.00 C ATOM 0 H VAL A 93 -6.103 10.526 5.256 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.204 8.700 4.342 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.341 10.916 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.018 10.535 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.116 9.251 7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.024 8.953 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.460 11.737 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.489 10.224 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.880 11.332 3.929 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.523 7.925 7.217 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.638 6.866 8.205 1.00 0.00 C ATOM 1141 C ARG A 94 -6.135 5.577 7.547 1.00 0.00 C ATOM 1142 O ARG A 94 -5.800 4.481 7.991 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.601 7.262 9.326 1.00 0.00 C ATOM 1144 CG ARG A 94 -8.006 6.721 9.058 1.00 0.00 C ATOM 1145 CD ARG A 94 -8.121 5.256 9.485 1.00 0.00 C ATOM 1146 NE ARG A 94 -9.077 5.128 10.607 1.00 0.00 N ATOM 1147 CZ ARG A 94 -9.153 4.059 11.411 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -8.330 3.019 11.222 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -10.053 4.030 12.404 1.00 0.00 N ATOM 0 H ARG A 94 -6.185 8.692 7.335 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.649 6.702 8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.235 6.877 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.636 8.348 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.739 7.320 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.239 6.814 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.453 4.648 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.143 4.878 9.785 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.718 5.902 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.646 3.041 10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.388 2.205 11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.680 4.822 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.111 3.216 13.016 1.00 0.00 H new ATOM 1163 N THR A 95 -6.926 5.753 6.498 1.00 0.00 N ATOM 1164 CA THR A 95 -7.472 4.618 5.775 1.00 0.00 C ATOM 1165 C THR A 95 -6.492 4.151 4.697 1.00 0.00 C ATOM 1166 O THR A 95 -6.372 2.955 4.438 1.00 0.00 O ATOM 1167 CB THR A 95 -8.838 5.025 5.219 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.720 4.896 6.332 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.378 4.020 4.198 1.00 0.00 C ATOM 0 H THR A 95 -7.201 6.664 6.132 1.00 0.00 H new ATOM 0 HA THR A 95 -7.615 3.761 6.433 1.00 0.00 H new ATOM 0 HB THR A 95 -8.762 6.009 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.629 5.143 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.349 4.356 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.684 3.944 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.486 3.044 4.670 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.817 5.120 4.098 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.850 4.823 3.054 1.00 0.00 C ATOM 1179 C TYR A 96 -3.605 4.150 3.634 1.00 0.00 C ATOM 1180 O TYR A 96 -2.977 3.324 2.975 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.452 6.172 2.452 1.00 0.00 C ATOM 1182 CG TYR A 96 -3.186 6.121 1.593 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.277 5.821 0.249 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.955 6.375 2.162 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -2.086 5.774 -0.560 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.764 6.326 1.354 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.888 6.028 0.033 1.00 0.00 C ATOM 1188 OH TYR A 96 0.236 5.983 -0.731 1.00 0.00 O ATOM 0 H TYR A 96 -5.920 6.111 4.315 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.279 4.145 2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.276 6.544 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.302 6.889 3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.241 5.622 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.885 6.611 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.143 5.542 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.206 6.521 1.787 1.00 0.00 H new ATOM 0 HH TYR A 96 0.975 6.411 -0.251 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.285 4.528 4.863 1.00 0.00 N ATOM 1199 CA ASN A 97 -2.126 3.972 5.539 1.00 0.00 C ATOM 1200 C ASN A 97 -2.461 2.566 6.041 1.00 0.00 C ATOM 1201 O ASN A 97 -1.616 1.672 6.004 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.732 4.824 6.748 1.00 0.00 C ATOM 1203 CG ASN A 97 -0.604 5.792 6.392 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.526 5.660 6.835 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.970 6.771 5.569 1.00 0.00 N ATOM 0 H ASN A 97 -3.809 5.213 5.408 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.299 3.950 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.598 5.384 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.416 4.177 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.288 7.469 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.932 6.824 5.235 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.694 2.414 6.500 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.150 1.130 7.009 1.00 0.00 C ATOM 1214 C ASP A 98 -4.190 0.117 5.862 1.00 0.00 C ATOM 1215 O ASP A 98 -3.872 -1.055 6.055 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.561 1.240 7.591 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.964 0.100 8.527 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.092 -0.319 9.320 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.135 -0.329 8.430 1.00 0.00 O ATOM 0 H ASP A 98 -4.392 3.157 6.531 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.460 0.812 7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.642 2.182 8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.275 1.284 6.768 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.583 0.607 4.696 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.666 -0.242 3.519 1.00 0.00 C ATOM 1226 C PHE A 99 -3.294 -0.807 3.150 1.00 0.00 C ATOM 1227 O PHE A 99 -3.177 -1.977 2.792 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.168 0.635 2.370 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.000 0.005 0.987 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.784 0.020 0.376 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.065 -0.571 0.367 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.628 -0.565 -0.908 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.909 -1.154 -0.917 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.693 -1.141 -1.528 1.00 0.00 C ATOM 0 H PHE A 99 -4.847 1.580 4.541 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.334 -1.081 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.223 0.858 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.635 1.585 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.938 0.477 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.030 -0.585 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.663 -0.553 -1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.756 -1.608 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.574 -1.588 -2.504 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.289 0.050 3.253 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.928 -0.348 2.935 1.00 0.00 C ATOM 1246 C ILE A 100 -0.361 -1.178 4.091 1.00 0.00 C ATOM 1247 O ILE A 100 0.230 -2.233 3.869 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.080 0.875 2.582 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.776 1.740 1.529 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.325 0.458 2.142 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.676 1.103 0.142 1.00 0.00 C ATOM 0 H ILE A 100 -2.390 1.020 3.553 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.914 -0.982 2.049 1.00 0.00 H new ATOM 0 HB ILE A 100 0.030 1.485 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.824 1.873 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.324 2.732 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.908 1.346 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.814 -0.085 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.256 -0.185 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.179 1.738 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.373 0.994 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.151 0.122 0.157 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.563 -0.668 5.297 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.080 -1.347 6.486 1.00 0.00 C ATOM 1265 C GLU A 101 -0.474 -2.825 6.450 1.00 0.00 C ATOM 1266 O GLU A 101 0.258 -3.679 6.949 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.603 -0.671 7.755 1.00 0.00 C ATOM 1268 CG GLU A 101 0.379 -0.846 8.915 1.00 0.00 C ATOM 1269 CD GLU A 101 0.466 0.429 9.757 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -0.507 0.686 10.500 1.00 0.00 O ATOM 1271 OE2 GLU A 101 1.501 1.118 9.638 1.00 0.00 O ATOM 0 H GLU A 101 -1.055 0.208 5.476 1.00 0.00 H new ATOM 0 HA GLU A 101 1.008 -1.281 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.763 0.391 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.570 -1.096 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.062 -1.679 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.366 -1.097 8.526 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.629 -3.082 5.855 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.128 -4.443 5.747 1.00 0.00 C ATOM 1280 C LYS A 102 -1.508 -5.115 4.520 1.00 0.00 C ATOM 1281 O LYS A 102 -1.366 -6.335 4.482 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.659 -4.453 5.745 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.203 -5.261 6.924 1.00 0.00 C ATOM 1284 CD LYS A 102 -3.767 -6.726 6.832 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.246 -7.517 8.051 1.00 0.00 C ATOM 1286 NZ LYS A 102 -3.201 -7.536 9.100 1.00 0.00 N ATOM 0 H LYS A 102 -2.234 -2.372 5.443 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.828 -5.028 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.033 -3.430 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.022 -4.878 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.847 -4.830 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.291 -5.202 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.169 -7.173 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.681 -6.782 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.158 -7.070 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.492 -8.537 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.542 -8.077 9.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.340 -7.983 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.986 -6.562 9.393 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.154 -4.287 3.549 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.550 -4.785 2.324 1.00 0.00 C ATOM 1302 C LEU A 103 0.950 -4.985 2.544 1.00 0.00 C ATOM 1303 O LEU A 103 1.609 -5.672 1.764 1.00 0.00 O ATOM 1304 CB LEU A 103 -0.881 -3.861 1.149 1.00 0.00 C ATOM 1305 CG LEU A 103 -1.954 -4.366 0.181 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.284 -4.588 0.904 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.102 -3.422 -1.014 1.00 0.00 C ATOM 0 H LEU A 103 -1.274 -3.275 3.585 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.967 -5.758 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.203 -2.899 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.034 -3.681 0.585 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.635 -5.332 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.029 -4.947 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.150 -5.327 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.622 -3.648 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.870 -3.804 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.388 -2.431 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.153 -3.358 -1.547 1.00 0.00 H new ATOM 1319 N THR A 104 1.446 -4.374 3.609 1.00 0.00 N ATOM 1320 CA THR A 104 2.857 -4.477 3.942 1.00 0.00 C ATOM 1321 C THR A 104 3.047 -5.318 5.205 1.00 0.00 C ATOM 1322 O THR A 104 3.931 -6.172 5.258 1.00 0.00 O ATOM 1323 CB THR A 104 3.419 -3.058 4.067 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.660 -2.477 5.123 1.00 0.00 O ATOM 1325 CG2 THR A 104 3.090 -2.189 2.850 1.00 0.00 C ATOM 0 H THR A 104 0.896 -3.805 4.253 1.00 0.00 H new ATOM 0 HA THR A 104 3.411 -4.994 3.158 1.00 0.00 H new ATOM 0 HB THR A 104 4.500 -3.105 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.787 -2.192 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.511 -1.193 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.516 -2.641 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.008 -2.113 2.739 1.00 0.00 H new ATOM 1333 N GLY A 105 2.205 -5.047 6.190 1.00 0.00 N ATOM 1334 CA GLY A 105 2.270 -5.769 7.450 1.00 0.00 C ATOM 1335 C GLY A 105 3.375 -5.210 8.346 1.00 0.00 C ATOM 1336 O GLY A 105 3.645 -5.753 9.417 1.00 0.00 O ATOM 0 H GLY A 105 1.474 -4.338 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.311 -5.699 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.453 -6.826 7.258 1.00 0.00 H new ATOM 1340 N TYR A 106 3.986 -4.132 7.877 1.00 0.00 N ATOM 1341 CA TYR A 106 5.057 -3.493 8.622 1.00 0.00 C ATOM 1342 C TYR A 106 4.555 -2.237 9.337 1.00 0.00 C ATOM 1343 O TYR A 106 3.983 -1.349 8.708 1.00 0.00 O ATOM 1344 CB TYR A 106 6.110 -3.091 7.588 1.00 0.00 C ATOM 1345 CG TYR A 106 7.209 -4.136 7.379 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.005 -5.186 6.506 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.402 -4.028 8.063 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.039 -6.169 6.310 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.437 -5.011 7.867 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.203 -6.033 7.000 1.00 0.00 C ATOM 1351 OH TYR A 106 10.180 -6.961 6.816 1.00 0.00 O ATOM 0 H TYR A 106 3.759 -3.685 6.989 1.00 0.00 H new ATOM 0 HA TYR A 106 5.453 -4.169 9.380 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.615 -2.904 6.635 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.570 -2.153 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.071 -5.270 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.560 -3.206 8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.893 -6.996 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.376 -4.938 8.396 1.00 0.00 H new ATOM 0 HH TYR A 106 10.954 -6.735 7.372 1.00 0.00 H new ATOM 1361 N SER A 107 4.788 -2.203 10.640 1.00 0.00 N ATOM 1362 CA SER A 107 4.365 -1.070 11.446 1.00 0.00 C ATOM 1363 C SER A 107 5.425 0.032 11.396 1.00 0.00 C ATOM 1364 O SER A 107 6.592 -0.238 11.111 1.00 0.00 O ATOM 1365 CB SER A 107 4.106 -1.491 12.894 1.00 0.00 C ATOM 1366 OG SER A 107 2.843 -1.032 13.365 1.00 0.00 O ATOM 0 H SER A 107 5.264 -2.941 11.158 1.00 0.00 H new ATOM 0 HA SER A 107 3.431 -0.687 11.034 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.148 -2.578 12.969 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.896 -1.097 13.533 1.00 0.00 H new ATOM 0 HG SER A 107 2.714 -1.322 14.292 1.00 0.00 H new ATOM 1372 N ALA A 108 4.983 1.247 11.677 1.00 0.00 N ATOM 1373 CA ALA A 108 5.879 2.392 11.667 1.00 0.00 C ATOM 1374 C ALA A 108 7.018 2.151 12.661 1.00 0.00 C ATOM 1375 O ALA A 108 8.094 2.731 12.529 1.00 0.00 O ATOM 1376 CB ALA A 108 5.088 3.664 11.983 1.00 0.00 C ATOM 0 H ALA A 108 4.015 1.465 11.914 1.00 0.00 H new ATOM 0 HA ALA A 108 6.324 2.522 10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.760 4.522 11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.311 3.805 11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.629 3.572 12.967 1.00 0.00 H new ATOM 1382 N LYS A 109 6.741 1.294 13.632 1.00 0.00 N ATOM 1383 CA LYS A 109 7.728 0.968 14.647 1.00 0.00 C ATOM 1384 C LYS A 109 8.868 0.172 14.009 1.00 0.00 C ATOM 1385 O LYS A 109 10.038 0.508 14.180 1.00 0.00 O ATOM 1386 CB LYS A 109 7.067 0.257 15.830 1.00 0.00 C ATOM 1387 CG LYS A 109 7.476 0.902 17.156 1.00 0.00 C ATOM 1388 CD LYS A 109 7.582 -0.146 18.265 1.00 0.00 C ATOM 1389 CE LYS A 109 6.975 0.374 19.570 1.00 0.00 C ATOM 1390 NZ LYS A 109 7.779 -0.075 20.729 1.00 0.00 N ATOM 0 H LYS A 109 5.847 0.815 13.738 1.00 0.00 H new ATOM 0 HA LYS A 109 8.166 1.878 15.057 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.983 0.295 15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.350 -0.795 15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 109 8.433 1.410 17.038 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.745 1.661 17.436 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.069 -1.058 17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.628 -0.407 18.425 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.932 1.463 19.550 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.950 0.016 19.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.354 0.286 21.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.799 -1.114 20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.750 0.288 20.640 1.00 0.00 H new ATOM 1404 N GLU A 110 8.484 -0.870 13.284 1.00 0.00 N ATOM 1405 CA GLU A 110 9.458 -1.718 12.619 1.00 0.00 C ATOM 1406 C GLU A 110 9.960 -1.046 11.338 1.00 0.00 C ATOM 1407 O GLU A 110 11.105 -1.246 10.937 1.00 0.00 O ATOM 1408 CB GLU A 110 8.870 -3.099 12.320 1.00 0.00 C ATOM 1409 CG GLU A 110 7.654 -2.988 11.399 1.00 0.00 C ATOM 1410 CD GLU A 110 7.094 -4.371 11.062 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.826 -5.135 10.396 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.944 -4.634 11.479 1.00 0.00 O ATOM 0 H GLU A 110 7.512 -1.145 13.143 1.00 0.00 H new ATOM 0 HA GLU A 110 10.306 -1.858 13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.628 -3.728 11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.582 -3.585 13.252 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.883 -2.387 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.934 -2.472 10.481 1.00 0.00 H new ATOM 1419 N ARG A 111 9.078 -0.263 10.734 1.00 0.00 N ATOM 1420 CA ARG A 111 9.418 0.438 9.509 1.00 0.00 C ATOM 1421 C ARG A 111 10.738 1.193 9.676 1.00 0.00 C ATOM 1422 O ARG A 111 11.612 1.121 8.815 1.00 0.00 O ATOM 1423 CB ARG A 111 8.318 1.429 9.119 1.00 0.00 C ATOM 1424 CG ARG A 111 8.105 1.443 7.604 1.00 0.00 C ATOM 1425 CD ARG A 111 6.625 1.626 7.261 1.00 0.00 C ATOM 1426 NE ARG A 111 6.437 2.865 6.476 1.00 0.00 N ATOM 1427 CZ ARG A 111 6.348 4.090 7.014 1.00 0.00 C ATOM 1428 NH1 ARG A 111 6.427 4.245 8.342 1.00 0.00 N ATOM 1429 NH2 ARG A 111 6.177 5.158 6.224 1.00 0.00 N ATOM 0 H ARG A 111 8.129 -0.099 11.071 1.00 0.00 H new ATOM 0 HA ARG A 111 9.520 -0.306 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.387 1.160 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.586 2.429 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.688 2.249 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.469 0.510 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.266 0.768 6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.034 1.672 8.176 1.00 0.00 H new ATOM 0 HE ARG A 111 6.371 2.783 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.555 3.431 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.359 5.177 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.114 5.040 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.109 6.090 6.634 1.00 0.00 H new ATOM 1443 N LYS A 112 10.841 1.899 10.793 1.00 0.00 N ATOM 1444 CA LYS A 112 12.040 2.666 11.086 1.00 0.00 C ATOM 1445 C LYS A 112 13.212 1.707 11.306 1.00 0.00 C ATOM 1446 O LYS A 112 14.307 1.932 10.794 1.00 0.00 O ATOM 1447 CB LYS A 112 11.796 3.617 12.259 1.00 0.00 C ATOM 1448 CG LYS A 112 12.169 5.054 11.887 1.00 0.00 C ATOM 1449 CD LYS A 112 12.306 5.925 13.137 1.00 0.00 C ATOM 1450 CE LYS A 112 12.341 7.411 12.769 1.00 0.00 C ATOM 1451 NZ LYS A 112 13.621 8.019 13.192 1.00 0.00 N ATOM 0 H LYS A 112 10.114 1.956 11.506 1.00 0.00 H new ATOM 0 HA LYS A 112 12.301 3.302 10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.748 3.574 12.554 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.383 3.296 13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.107 5.058 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.407 5.473 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.471 5.733 13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.217 5.658 13.673 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.214 7.528 11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.510 7.930 13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.628 9.027 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.727 7.924 14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.409 7.535 12.717 1.00 0.00 H new ATOM 1465 N LYS A 113 12.942 0.659 12.070 1.00 0.00 N ATOM 1466 CA LYS A 113 13.961 -0.334 12.363 1.00 0.00 C ATOM 1467 C LYS A 113 14.725 -0.671 11.081 1.00 0.00 C ATOM 1468 O LYS A 113 15.920 -0.955 11.124 1.00 0.00 O ATOM 1469 CB LYS A 113 13.337 -1.555 13.046 1.00 0.00 C ATOM 1470 CG LYS A 113 13.064 -1.275 14.525 1.00 0.00 C ATOM 1471 CD LYS A 113 13.027 -2.574 15.331 1.00 0.00 C ATOM 1472 CE LYS A 113 13.458 -2.332 16.780 1.00 0.00 C ATOM 1473 NZ LYS A 113 13.800 -3.612 17.440 1.00 0.00 N ATOM 0 H LYS A 113 12.033 0.476 12.495 1.00 0.00 H new ATOM 0 HA LYS A 113 14.688 0.064 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.406 -1.821 12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.006 -2.411 12.951 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.837 -0.618 14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.114 -0.750 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.020 -2.990 15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.685 -3.311 14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 113 14.318 -1.663 16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.655 -1.837 17.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 14.090 -3.430 18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.969 -4.238 17.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.581 -4.069 16.927 1.00 0.00 H new ATOM 1487 N MET A 114 14.002 -0.629 9.972 1.00 0.00 N ATOM 1488 CA MET A 114 14.597 -0.925 8.680 1.00 0.00 C ATOM 1489 C MET A 114 15.746 0.036 8.371 1.00 0.00 C ATOM 1490 O MET A 114 16.875 -0.392 8.142 1.00 0.00 O ATOM 1491 CB MET A 114 13.529 -0.814 7.588 1.00 0.00 C ATOM 1492 CG MET A 114 12.377 -1.786 7.848 1.00 0.00 C ATOM 1493 SD MET A 114 12.910 -3.460 7.540 1.00 0.00 S ATOM 1494 CE MET A 114 13.355 -3.955 9.196 1.00 0.00 C ATOM 0 H MET A 114 13.010 -0.395 9.941 1.00 0.00 H new ATOM 0 HA MET A 114 14.996 -1.939 8.709 1.00 0.00 H new ATOM 0 HB2 MET A 114 13.147 0.206 7.550 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.975 -1.024 6.616 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.034 -1.689 8.878 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.531 -1.541 7.205 1.00 0.00 H new ATOM 0 HE1 MET A 114 14.424 -4.163 9.239 1.00 0.00 H new ATOM 0 HE2 MET A 114 13.113 -3.153 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 114 12.800 -4.853 9.469 1.00 0.00 H new ATOM 1504 N MET A 115 15.418 1.321 8.375 1.00 0.00 N ATOM 1505 CA MET A 115 16.408 2.347 8.098 1.00 0.00 C ATOM 1506 C MET A 115 17.283 2.609 9.325 1.00 0.00 C ATOM 1507 O MET A 115 18.381 3.151 9.204 1.00 0.00 O ATOM 1508 CB MET A 115 15.701 3.642 7.689 1.00 0.00 C ATOM 1509 CG MET A 115 15.224 4.418 8.918 1.00 0.00 C ATOM 1510 SD MET A 115 13.827 5.441 8.488 1.00 0.00 S ATOM 1511 CE MET A 115 14.671 6.802 7.698 1.00 0.00 C ATOM 0 H MET A 115 14.480 1.674 8.566 1.00 0.00 H new ATOM 0 HA MET A 115 17.047 1.999 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 115 16.380 4.262 7.104 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.850 3.409 7.049 1.00 0.00 H new ATOM 0 HG2 MET A 115 14.947 3.724 9.712 1.00 0.00 H new ATOM 0 HG3 MET A 115 16.034 5.037 9.304 1.00 0.00 H new ATOM 0 HE1 MET A 115 13.940 7.540 7.366 1.00 0.00 H new ATOM 0 HE2 MET A 115 15.358 7.265 8.407 1.00 0.00 H new ATOM 0 HE3 MET A 115 15.231 6.433 6.839 1.00 0.00 H new ATOM 1521 N THR A 116 16.765 2.212 10.478 1.00 0.00 N ATOM 1522 CA THR A 116 17.486 2.399 11.726 1.00 0.00 C ATOM 1523 C THR A 116 17.975 1.052 12.264 1.00 0.00 C ATOM 1524 O THR A 116 17.258 0.377 13.001 1.00 0.00 O ATOM 1525 CB THR A 116 16.567 3.142 12.696 1.00 0.00 C ATOM 1526 OG1 THR A 116 16.196 4.322 11.988 1.00 0.00 O ATOM 1527 CG2 THR A 116 17.314 3.664 13.927 1.00 0.00 C ATOM 0 H THR A 116 15.855 1.762 10.574 1.00 0.00 H new ATOM 0 HA THR A 116 18.382 3.001 11.579 1.00 0.00 H new ATOM 0 HB THR A 116 15.762 2.479 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 116 15.597 4.863 12.544 1.00 0.00 H new ATOM 0 HG21 THR A 116 16.616 4.184 14.583 1.00 0.00 H new ATOM 0 HG22 THR A 116 17.761 2.827 14.463 1.00 0.00 H new ATOM 0 HG23 THR A 116 18.097 4.353 13.612 1.00 0.00 H new ATOM 1535 N LYS A 117 19.191 0.703 11.875 1.00 0.00 N ATOM 1536 CA LYS A 117 19.786 -0.550 12.308 1.00 0.00 C ATOM 1537 C LYS A 117 19.825 -0.589 13.838 1.00 0.00 C ATOM 1538 O LYS A 117 19.714 0.447 14.491 1.00 0.00 O ATOM 1539 CB LYS A 117 21.154 -0.752 11.654 1.00 0.00 C ATOM 1540 CG LYS A 117 21.005 -1.195 10.197 1.00 0.00 C ATOM 1541 CD LYS A 117 22.310 -0.992 9.426 1.00 0.00 C ATOM 1542 CE LYS A 117 22.333 -1.840 8.153 1.00 0.00 C ATOM 1543 NZ LYS A 117 21.867 -1.048 6.993 1.00 0.00 N ATOM 0 H LYS A 117 19.782 1.266 11.264 1.00 0.00 H new ATOM 0 HA LYS A 117 19.176 -1.392 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.723 0.176 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.720 -1.500 12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 117 20.716 -2.245 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.205 -0.628 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.424 0.061 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.156 -1.258 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.344 -2.204 7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 117 21.697 -2.716 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 21.889 -1.639 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 20.894 -0.722 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.490 -0.225 6.862 1.00 0.00 H new ATOM 1557 N ASP A 118 19.983 -1.795 14.363 1.00 0.00 N ATOM 1558 CA ASP A 118 20.038 -1.983 15.804 1.00 0.00 C ATOM 1559 C ASP A 118 18.979 -1.100 16.469 1.00 0.00 C ATOM 1560 O ASP A 118 18.847 -1.099 17.692 1.00 0.00 O ATOM 1561 CB ASP A 118 21.406 -1.579 16.359 1.00 0.00 C ATOM 1562 CG ASP A 118 22.421 -2.719 16.467 1.00 0.00 C ATOM 1563 OD1 ASP A 118 22.808 -3.236 15.397 1.00 0.00 O ATOM 1564 OD2 ASP A 118 22.788 -3.046 17.615 1.00 0.00 O ATOM 1565 OXT ASP A 118 18.159 -0.290 15.674 1.00 0.00 O ATOM 0 H ASP A 118 20.075 -2.652 13.817 1.00 0.00 H new ATOM 0 HA ASP A 118 19.860 -3.037 16.015 1.00 0.00 H new ATOM 0 HB2 ASP A 118 21.824 -0.799 15.722 1.00 0.00 H new ATOM 0 HB3 ASP A 118 21.266 -1.142 17.348 1.00 0.00 H new TER 1570 ASP A 118