USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 130:sc= -0.0421 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 139:sc= 0.406 USER MOD Single : A 38 SER OG : rot 140:sc= -1.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.655) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 70 LYS NZ :NH3+ 145:sc= -0.0176 (180deg=-0.383) 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 79 ASN : amide:sc= -0.0022 K(o=-0.0022,f=-1.5) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -150:sc= -3.81! 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 97 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -69:sc= 0.859 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 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -120:sc= -0.0119 (180deg=-0.314) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0334) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.585 8.943 -5.179 1.00 0.00 N ATOM 2 CA MET A 23 6.383 7.510 -5.057 1.00 0.00 C ATOM 3 C MET A 23 7.348 6.905 -4.035 1.00 0.00 C ATOM 4 O MET A 23 8.564 6.996 -4.196 1.00 0.00 O ATOM 5 CB MET A 23 6.599 6.845 -6.418 1.00 0.00 C ATOM 6 CG MET A 23 6.105 5.397 -6.407 1.00 0.00 C ATOM 7 SD MET A 23 7.175 4.379 -7.407 1.00 0.00 S ATOM 8 CE MET A 23 6.644 4.878 -9.037 1.00 0.00 C ATOM 0 HA MET A 23 5.363 7.334 -4.715 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.071 7.407 -7.189 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.658 6.869 -6.674 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.082 5.020 -5.385 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.085 5.349 -6.787 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.216 4.333 -9.788 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.583 4.657 -9.158 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.808 5.948 -9.161 1.00 0.00 H new ATOM 18 N ARG A 24 6.771 6.303 -3.007 1.00 0.00 N ATOM 19 CA ARG A 24 7.565 5.684 -1.960 1.00 0.00 C ATOM 20 C ARG A 24 7.476 4.160 -2.055 1.00 0.00 C ATOM 21 O ARG A 24 6.427 3.615 -2.396 1.00 0.00 O ATOM 22 CB ARG A 24 7.091 6.128 -0.573 1.00 0.00 C ATOM 23 CG ARG A 24 7.944 5.494 0.526 1.00 0.00 C ATOM 24 CD ARG A 24 9.364 6.062 0.518 1.00 0.00 C ATOM 25 NE ARG A 24 9.782 6.403 1.896 1.00 0.00 N ATOM 26 CZ ARG A 24 10.053 5.496 2.844 1.00 0.00 C ATOM 27 NH1 ARG A 24 9.952 4.188 2.569 1.00 0.00 N ATOM 28 NH2 ARG A 24 10.426 5.896 4.068 1.00 0.00 N ATOM 0 H ARG A 24 5.762 6.230 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 24 8.599 6.001 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.143 7.214 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.047 5.848 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.483 5.673 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.980 4.414 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.053 5.334 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.406 6.950 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 24 9.869 7.390 2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.669 3.883 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.158 3.498 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.504 6.891 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.632 5.205 4.790 1.00 0.00 H new ATOM 42 N GLU A 25 8.592 3.513 -1.751 1.00 0.00 N ATOM 43 CA GLU A 25 8.653 2.063 -1.799 1.00 0.00 C ATOM 44 C GLU A 25 8.448 1.475 -0.402 1.00 0.00 C ATOM 45 O GLU A 25 9.041 1.948 0.567 1.00 0.00 O ATOM 46 CB GLU A 25 9.978 1.589 -2.405 1.00 0.00 C ATOM 47 CG GLU A 25 10.000 1.812 -3.919 1.00 0.00 C ATOM 48 CD GLU A 25 11.338 2.406 -4.365 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.728 3.434 -3.772 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.938 1.817 -5.290 1.00 0.00 O ATOM 0 H GLU A 25 9.461 3.967 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 25 7.848 1.707 -2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.806 2.126 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.123 0.531 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.829 0.866 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.188 2.481 -4.204 1.00 0.00 H new ATOM 57 N TYR A 26 7.606 0.453 -0.343 1.00 0.00 N ATOM 58 CA TYR A 26 7.315 -0.202 0.921 1.00 0.00 C ATOM 59 C TYR A 26 7.852 -1.635 0.931 1.00 0.00 C ATOM 60 O TYR A 26 7.873 -2.301 -0.103 1.00 0.00 O ATOM 61 CB TYR A 26 5.791 -0.242 1.035 1.00 0.00 C ATOM 62 CG TYR A 26 5.127 1.137 0.984 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.705 2.204 1.642 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.952 1.312 0.283 1.00 0.00 C ATOM 65 CE1 TYR A 26 5.081 3.501 1.594 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.327 2.608 0.236 1.00 0.00 C ATOM 67 CZ TYR A 26 3.924 3.639 0.893 1.00 0.00 C ATOM 68 OH TYR A 26 3.334 4.864 0.850 1.00 0.00 O ATOM 0 H TYR A 26 7.117 0.063 -1.149 1.00 0.00 H new ATOM 0 HA TYR A 26 7.782 0.334 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.392 -0.856 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.519 -0.730 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.624 2.066 2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.501 0.476 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.522 4.345 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.406 2.758 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 26 2.516 4.814 0.313 1.00 0.00 H new ATOM 78 N PRO A 27 8.283 -2.079 2.141 1.00 0.00 N ATOM 79 CA PRO A 27 8.819 -3.421 2.301 1.00 0.00 C ATOM 80 C PRO A 27 7.699 -4.464 2.277 1.00 0.00 C ATOM 81 O PRO A 27 6.523 -4.121 2.397 1.00 0.00 O ATOM 82 CB PRO A 27 9.575 -3.390 3.618 1.00 0.00 C ATOM 83 CG PRO A 27 9.050 -2.179 4.372 1.00 0.00 C ATOM 84 CD PRO A 27 8.273 -1.319 3.388 1.00 0.00 C ATOM 0 HA PRO A 27 9.482 -3.709 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.409 -4.306 4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.649 -3.310 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.408 -2.491 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.874 -1.613 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.255 -1.142 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.741 -0.343 3.260 1.00 0.00 H new ATOM 92 N VAL A 28 8.104 -5.716 2.122 1.00 0.00 N ATOM 93 CA VAL A 28 7.150 -6.812 2.082 1.00 0.00 C ATOM 94 C VAL A 28 7.440 -7.776 3.233 1.00 0.00 C ATOM 95 O VAL A 28 8.598 -8.059 3.534 1.00 0.00 O ATOM 96 CB VAL A 28 7.187 -7.487 0.710 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.752 -8.951 0.809 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.328 -6.726 -0.299 1.00 0.00 C ATOM 0 H VAL A 28 9.080 -5.996 2.023 1.00 0.00 H new ATOM 0 HA VAL A 28 6.134 -6.441 2.218 1.00 0.00 H new ATOM 0 HB VAL A 28 8.217 -7.467 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.787 -9.409 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.424 -9.486 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.735 -9.003 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.372 -7.227 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.295 -6.699 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.703 -5.708 -0.401 1.00 0.00 H new ATOM 108 N LYS A 29 6.367 -8.256 3.846 1.00 0.00 N ATOM 109 CA LYS A 29 6.492 -9.183 4.957 1.00 0.00 C ATOM 110 C LYS A 29 6.653 -10.605 4.413 1.00 0.00 C ATOM 111 O LYS A 29 6.066 -10.952 3.390 1.00 0.00 O ATOM 112 CB LYS A 29 5.316 -9.024 5.923 1.00 0.00 C ATOM 113 CG LYS A 29 5.467 -9.953 7.129 1.00 0.00 C ATOM 114 CD LYS A 29 5.963 -9.184 8.355 1.00 0.00 C ATOM 115 CE LYS A 29 7.486 -9.055 8.342 1.00 0.00 C ATOM 116 NZ LYS A 29 7.956 -8.339 9.550 1.00 0.00 N ATOM 0 H LYS A 29 5.407 -8.020 3.594 1.00 0.00 H new ATOM 0 HA LYS A 29 7.386 -8.960 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.256 -7.990 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.383 -9.244 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.509 -10.423 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.167 -10.754 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.511 -8.192 8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.646 -9.697 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.940 -10.045 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.804 -8.519 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.993 -8.260 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.537 -7.388 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.669 -8.866 10.399 1.00 0.00 H new ATOM 130 N LYS A 30 7.450 -11.389 5.123 1.00 0.00 N ATOM 131 CA LYS A 30 7.696 -12.765 4.726 1.00 0.00 C ATOM 132 C LYS A 30 6.440 -13.599 4.989 1.00 0.00 C ATOM 133 O LYS A 30 6.082 -13.841 6.141 1.00 0.00 O ATOM 134 CB LYS A 30 8.949 -13.306 5.414 1.00 0.00 C ATOM 135 CG LYS A 30 8.749 -13.399 6.928 1.00 0.00 C ATOM 136 CD LYS A 30 10.080 -13.253 7.667 1.00 0.00 C ATOM 137 CE LYS A 30 9.874 -12.623 9.047 1.00 0.00 C ATOM 138 NZ LYS A 30 10.792 -13.233 10.036 1.00 0.00 N ATOM 0 H LYS A 30 7.934 -11.097 5.972 1.00 0.00 H new ATOM 0 HA LYS A 30 7.899 -12.822 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.190 -14.291 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.797 -12.657 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.060 -12.621 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.292 -14.356 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.549 -14.231 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.761 -12.637 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.050 -11.549 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.841 -12.762 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.640 -12.795 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.605 -14.254 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.776 -13.079 9.737 1.00 0.00 H new ATOM 152 N GLY A 31 5.806 -14.015 3.902 1.00 0.00 N ATOM 153 CA GLY A 31 4.598 -14.816 4.002 1.00 0.00 C ATOM 154 C GLY A 31 3.414 -14.109 3.341 1.00 0.00 C ATOM 155 O GLY A 31 2.557 -14.755 2.739 1.00 0.00 O ATOM 0 H GLY A 31 6.106 -13.812 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.759 -15.784 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.371 -15.009 5.051 1.00 0.00 H new ATOM 159 N PHE A 32 3.404 -12.791 3.475 1.00 0.00 N ATOM 160 CA PHE A 32 2.339 -11.988 2.899 1.00 0.00 C ATOM 161 C PHE A 32 2.210 -12.246 1.396 1.00 0.00 C ATOM 162 O PHE A 32 3.151 -12.722 0.761 1.00 0.00 O ATOM 163 CB PHE A 32 2.714 -10.521 3.121 1.00 0.00 C ATOM 164 CG PHE A 32 2.175 -9.934 4.428 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.439 -10.550 5.611 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.432 -8.794 4.406 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.940 -10.004 6.824 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.932 -8.248 5.618 1.00 0.00 C ATOM 169 CZ PHE A 32 1.196 -8.866 6.802 1.00 0.00 C ATOM 0 H PHE A 32 4.117 -12.259 3.974 1.00 0.00 H new ATOM 0 HA PHE A 32 1.388 -12.241 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.800 -10.429 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.338 -9.930 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.028 -11.455 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.223 -8.304 3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.152 -10.493 7.764 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.343 -7.343 5.600 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.814 -8.452 7.724 1.00 0.00 H new ATOM 179 N PRO A 33 1.007 -11.912 0.856 1.00 0.00 N ATOM 180 CA PRO A 33 0.744 -12.102 -0.560 1.00 0.00 C ATOM 181 C PRO A 33 1.454 -11.038 -1.398 1.00 0.00 C ATOM 182 O PRO A 33 1.551 -9.881 -0.988 1.00 0.00 O ATOM 183 CB PRO A 33 -0.770 -12.046 -0.689 1.00 0.00 C ATOM 184 CG PRO A 33 -1.272 -11.367 0.575 1.00 0.00 C ATOM 185 CD PRO A 33 -0.129 -11.346 1.577 1.00 0.00 C ATOM 0 HA PRO A 33 1.129 -13.050 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.066 -11.487 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.191 -13.047 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.607 -10.353 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.128 -11.905 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.082 -10.332 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.368 -11.934 2.463 1.00 0.00 H new ATOM 193 N THR A 34 1.933 -11.465 -2.557 1.00 0.00 N ATOM 194 CA THR A 34 2.633 -10.563 -3.456 1.00 0.00 C ATOM 195 C THR A 34 2.163 -10.776 -4.896 1.00 0.00 C ATOM 196 O THR A 34 2.912 -10.532 -5.840 1.00 0.00 O ATOM 197 CB THR A 34 4.136 -10.780 -3.270 1.00 0.00 C ATOM 198 OG1 THR A 34 4.384 -12.041 -3.888 1.00 0.00 O ATOM 199 CG2 THR A 34 4.518 -11.003 -1.806 1.00 0.00 C ATOM 0 H THR A 34 1.850 -12.424 -2.894 1.00 0.00 H new ATOM 0 HA THR A 34 2.410 -9.522 -3.224 1.00 0.00 H new ATOM 0 HB THR A 34 4.678 -9.918 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.337 -12.259 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.595 -11.152 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.229 -10.132 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.002 -11.885 -1.426 1.00 0.00 H new ATOM 207 N ASP A 35 0.923 -11.228 -5.019 1.00 0.00 N ATOM 208 CA ASP A 35 0.344 -11.476 -6.328 1.00 0.00 C ATOM 209 C ASP A 35 -0.823 -10.511 -6.556 1.00 0.00 C ATOM 210 O ASP A 35 -1.565 -10.198 -5.627 1.00 0.00 O ATOM 211 CB ASP A 35 -0.196 -12.903 -6.431 1.00 0.00 C ATOM 212 CG ASP A 35 0.722 -13.893 -7.148 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.572 -14.487 -6.450 1.00 0.00 O ATOM 214 OD2 ASP A 35 0.555 -14.032 -8.380 1.00 0.00 O ATOM 0 H ASP A 35 0.304 -11.429 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 35 1.125 -11.332 -7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.391 -13.275 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.153 -12.876 -6.952 1.00 0.00 H new ATOM 219 N TYR A 36 -0.946 -10.065 -7.798 1.00 0.00 N ATOM 220 CA TYR A 36 -2.009 -9.143 -8.158 1.00 0.00 C ATOM 221 C TYR A 36 -3.370 -9.663 -7.693 1.00 0.00 C ATOM 222 O TYR A 36 -4.090 -8.975 -6.972 1.00 0.00 O ATOM 223 CB TYR A 36 -2.001 -9.067 -9.687 1.00 0.00 C ATOM 224 CG TYR A 36 -1.044 -8.017 -10.254 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.319 -8.163 -10.087 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.543 -6.923 -10.931 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.219 -7.174 -10.621 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.642 -5.935 -11.464 1.00 0.00 C ATOM 229 CZ TYR A 36 0.694 -6.109 -11.283 1.00 0.00 C ATOM 230 OH TYR A 36 1.544 -5.175 -11.788 1.00 0.00 O ATOM 0 H TYR A 36 -0.328 -10.325 -8.566 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.849 -8.172 -7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.730 -10.044 -10.087 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.011 -8.849 -10.035 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.710 -9.019 -9.556 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.609 -6.808 -11.061 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.287 -7.276 -10.498 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.019 -5.074 -11.996 1.00 0.00 H new ATOM 0 HH TYR A 36 1.232 -4.894 -12.674 1.00 0.00 H new ATOM 240 N ASP A 37 -3.682 -10.878 -8.124 1.00 0.00 N ATOM 241 CA ASP A 37 -4.943 -11.499 -7.761 1.00 0.00 C ATOM 242 C ASP A 37 -5.072 -11.529 -6.236 1.00 0.00 C ATOM 243 O ASP A 37 -6.100 -11.137 -5.687 1.00 0.00 O ATOM 244 CB ASP A 37 -5.014 -12.940 -8.270 1.00 0.00 C ATOM 245 CG ASP A 37 -6.364 -13.351 -8.859 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.658 -12.888 -9.984 1.00 0.00 O ATOM 247 OD2 ASP A 37 -7.073 -14.120 -8.174 1.00 0.00 O ATOM 0 H ASP A 37 -3.082 -11.447 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.747 -10.917 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.245 -13.079 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.774 -13.613 -7.447 1.00 0.00 H new ATOM 252 N SER A 38 -4.011 -12.002 -5.595 1.00 0.00 N ATOM 253 CA SER A 38 -3.992 -12.088 -4.145 1.00 0.00 C ATOM 254 C SER A 38 -4.394 -10.744 -3.534 1.00 0.00 C ATOM 255 O SER A 38 -5.269 -10.685 -2.673 1.00 0.00 O ATOM 256 CB SER A 38 -2.612 -12.510 -3.637 1.00 0.00 C ATOM 257 OG SER A 38 -2.696 -13.280 -2.441 1.00 0.00 O ATOM 0 H SER A 38 -3.160 -12.329 -6.053 1.00 0.00 H new ATOM 0 HA SER A 38 -4.711 -12.848 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.104 -13.091 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.006 -11.623 -3.455 1.00 0.00 H new ATOM 0 HG SER A 38 -2.045 -14.011 -2.476 1.00 0.00 H new ATOM 263 N ILE A 39 -3.732 -9.695 -4.004 1.00 0.00 N ATOM 264 CA ILE A 39 -4.010 -8.355 -3.515 1.00 0.00 C ATOM 265 C ILE A 39 -5.428 -7.951 -3.923 1.00 0.00 C ATOM 266 O ILE A 39 -6.149 -7.330 -3.144 1.00 0.00 O ATOM 267 CB ILE A 39 -2.932 -7.379 -3.989 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.567 -7.742 -3.402 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.324 -5.934 -3.674 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.445 -7.448 -4.400 1.00 0.00 C ATOM 0 H ILE A 39 -3.005 -9.747 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.973 -8.331 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.849 -7.462 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.400 -7.177 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.552 -8.798 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.541 -5.260 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.260 -5.693 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.451 -5.818 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.515 -7.715 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.602 -8.033 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.447 -6.387 -4.648 1.00 0.00 H new ATOM 282 N LYS A 40 -5.787 -8.322 -5.144 1.00 0.00 N ATOM 283 CA LYS A 40 -7.105 -8.005 -5.664 1.00 0.00 C ATOM 284 C LYS A 40 -8.169 -8.488 -4.677 1.00 0.00 C ATOM 285 O LYS A 40 -9.157 -7.797 -4.435 1.00 0.00 O ATOM 286 CB LYS A 40 -7.274 -8.574 -7.076 1.00 0.00 C ATOM 287 CG LYS A 40 -6.906 -7.531 -8.133 1.00 0.00 C ATOM 288 CD LYS A 40 -6.470 -8.203 -9.437 1.00 0.00 C ATOM 289 CE LYS A 40 -7.657 -8.370 -10.389 1.00 0.00 C ATOM 290 NZ LYS A 40 -7.195 -8.387 -11.794 1.00 0.00 N ATOM 0 H LYS A 40 -5.187 -8.839 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.226 -6.926 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.644 -9.456 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.305 -8.897 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.761 -6.882 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.102 -6.897 -7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.695 -7.606 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.033 -9.178 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.185 -9.296 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.366 -7.555 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.012 -8.501 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.711 -7.492 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.536 -9.180 -11.933 1.00 0.00 H new ATOM 304 N ARG A 41 -7.930 -9.672 -4.131 1.00 0.00 N ATOM 305 CA ARG A 41 -8.854 -10.256 -3.174 1.00 0.00 C ATOM 306 C ARG A 41 -8.728 -9.556 -1.819 1.00 0.00 C ATOM 307 O ARG A 41 -9.708 -9.428 -1.088 1.00 0.00 O ATOM 308 CB ARG A 41 -8.590 -11.752 -2.995 1.00 0.00 C ATOM 309 CG ARG A 41 -9.331 -12.570 -4.054 1.00 0.00 C ATOM 310 CD ARG A 41 -8.676 -12.411 -5.427 1.00 0.00 C ATOM 311 NE ARG A 41 -9.368 -13.264 -6.420 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.283 -14.601 -6.450 1.00 0.00 C ATOM 313 NH1 ARG A 41 -8.534 -15.245 -5.543 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.943 -15.294 -7.386 1.00 0.00 N ATOM 0 H ARG A 41 -7.109 -10.243 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.863 -10.122 -3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.520 -11.947 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.908 -12.065 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.335 -13.622 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.372 -12.249 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.717 -11.368 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.623 -12.686 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.945 -12.805 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.029 -14.717 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.469 -16.263 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.511 -14.804 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.878 -16.312 -7.408 1.00 0.00 H new ATOM 328 N LYS A 42 -7.510 -9.124 -1.524 1.00 0.00 N ATOM 329 CA LYS A 42 -7.243 -8.442 -0.270 1.00 0.00 C ATOM 330 C LYS A 42 -7.981 -7.101 -0.256 1.00 0.00 C ATOM 331 O LYS A 42 -8.519 -6.696 0.774 1.00 0.00 O ATOM 332 CB LYS A 42 -5.735 -8.316 -0.039 1.00 0.00 C ATOM 333 CG LYS A 42 -5.424 -8.082 1.440 1.00 0.00 C ATOM 334 CD LYS A 42 -4.837 -9.339 2.083 1.00 0.00 C ATOM 335 CE LYS A 42 -5.917 -10.135 2.819 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.508 -11.156 1.927 1.00 0.00 N ATOM 0 H LYS A 42 -6.698 -9.233 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.624 -9.025 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.234 -9.222 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.340 -7.491 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.721 -7.255 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.334 -7.792 1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.379 -9.964 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.047 -9.060 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.487 -10.616 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.696 -9.460 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.498 -11.324 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.472 -10.820 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.971 -12.043 2.010 1.00 0.00 H new ATOM 350 N ILE A 43 -7.983 -6.450 -1.410 1.00 0.00 N ATOM 351 CA ILE A 43 -8.647 -5.165 -1.542 1.00 0.00 C ATOM 352 C ILE A 43 -10.151 -5.350 -1.338 1.00 0.00 C ATOM 353 O ILE A 43 -10.760 -4.656 -0.524 1.00 0.00 O ATOM 354 CB ILE A 43 -8.283 -4.511 -2.877 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.768 -4.345 -3.012 1.00 0.00 C ATOM 356 CG2 ILE A 43 -9.022 -3.183 -3.056 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.354 -4.246 -4.481 1.00 0.00 C ATOM 0 H ILE A 43 -7.535 -6.789 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.303 -4.476 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.608 -5.172 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.448 -3.449 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.263 -5.191 -2.545 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.746 -2.739 -4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.097 -3.359 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.750 -2.503 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.272 -4.129 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.653 -5.154 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.841 -3.385 -4.939 1.00 0.00 H new ATOM 369 N SER A 44 -10.708 -6.286 -2.092 1.00 0.00 N ATOM 370 CA SER A 44 -12.130 -6.570 -2.004 1.00 0.00 C ATOM 371 C SER A 44 -12.457 -7.196 -0.646 1.00 0.00 C ATOM 372 O SER A 44 -13.542 -6.991 -0.107 1.00 0.00 O ATOM 373 CB SER A 44 -12.580 -7.493 -3.137 1.00 0.00 C ATOM 374 OG SER A 44 -13.998 -7.621 -3.193 1.00 0.00 O ATOM 0 H SER A 44 -10.200 -6.858 -2.767 1.00 0.00 H new ATOM 0 HA SER A 44 -12.672 -5.629 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.214 -7.105 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.133 -8.478 -3.001 1.00 0.00 H new ATOM 0 HG SER A 44 -14.244 -8.217 -3.931 1.00 0.00 H new ATOM 380 N GLU A 45 -11.494 -7.949 -0.132 1.00 0.00 N ATOM 381 CA GLU A 45 -11.665 -8.609 1.150 1.00 0.00 C ATOM 382 C GLU A 45 -11.870 -7.571 2.258 1.00 0.00 C ATOM 383 O GLU A 45 -12.461 -7.872 3.293 1.00 0.00 O ATOM 384 CB GLU A 45 -10.474 -9.515 1.466 1.00 0.00 C ATOM 385 CG GLU A 45 -10.678 -10.913 0.876 1.00 0.00 C ATOM 386 CD GLU A 45 -10.823 -11.958 1.982 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.462 -11.619 3.002 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.294 -13.072 1.785 1.00 0.00 O ATOM 0 H GLU A 45 -10.593 -8.116 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.554 -9.238 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.561 -9.076 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.344 -9.587 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.567 -10.919 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.833 -11.169 0.237 1.00 0.00 H new ATOM 395 N LEU A 46 -11.371 -6.371 1.999 1.00 0.00 N ATOM 396 CA LEU A 46 -11.493 -5.288 2.959 1.00 0.00 C ATOM 397 C LEU A 46 -12.765 -4.491 2.665 1.00 0.00 C ATOM 398 O LEU A 46 -13.315 -3.842 3.552 1.00 0.00 O ATOM 399 CB LEU A 46 -10.222 -4.436 2.969 1.00 0.00 C ATOM 400 CG LEU A 46 -10.208 -3.241 2.014 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.385 -1.927 2.776 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.941 -3.239 1.156 1.00 0.00 C ATOM 0 H LEU A 46 -10.882 -6.125 1.138 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.592 -5.684 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.063 -4.068 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.376 -5.079 2.727 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.056 -3.337 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.371 -1.094 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.338 -1.939 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.573 -1.810 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.957 -2.379 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.065 -3.180 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.898 -4.156 0.568 1.00 0.00 H new ATOM 414 N GLY A 47 -13.195 -4.565 1.414 1.00 0.00 N ATOM 415 CA GLY A 47 -14.393 -3.860 0.990 1.00 0.00 C ATOM 416 C GLY A 47 -14.052 -2.758 -0.015 1.00 0.00 C ATOM 417 O GLY A 47 -14.729 -1.732 -0.070 1.00 0.00 O ATOM 0 H GLY A 47 -12.735 -5.103 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.094 -4.564 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.890 -3.425 1.857 1.00 0.00 H new ATOM 421 N PHE A 48 -13.005 -3.008 -0.788 1.00 0.00 N ATOM 422 CA PHE A 48 -12.568 -2.050 -1.788 1.00 0.00 C ATOM 423 C PHE A 48 -12.638 -2.654 -3.193 1.00 0.00 C ATOM 424 O PHE A 48 -12.939 -3.837 -3.349 1.00 0.00 O ATOM 425 CB PHE A 48 -11.113 -1.703 -1.468 1.00 0.00 C ATOM 426 CG PHE A 48 -10.946 -0.756 -0.276 1.00 0.00 C ATOM 427 CD1 PHE A 48 -12.038 -0.170 0.284 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.707 -0.502 0.221 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.884 0.707 1.388 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.553 0.375 1.327 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.644 0.962 1.887 1.00 0.00 C ATOM 0 H PHE A 48 -12.447 -3.861 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.211 -1.170 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.566 -2.624 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.657 -1.248 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.022 -0.372 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.840 -0.967 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.751 1.173 1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.569 0.576 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.527 1.630 2.727 1.00 0.00 H new ATOM 441 N ASP A 49 -12.357 -1.814 -4.177 1.00 0.00 N ATOM 442 CA ASP A 49 -12.384 -2.249 -5.564 1.00 0.00 C ATOM 443 C ASP A 49 -10.970 -2.182 -6.143 1.00 0.00 C ATOM 444 O ASP A 49 -10.103 -1.505 -5.595 1.00 0.00 O ATOM 445 CB ASP A 49 -13.285 -1.345 -6.407 1.00 0.00 C ATOM 446 CG ASP A 49 -14.560 -2.009 -6.931 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.436 -3.130 -7.470 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.630 -1.380 -6.782 1.00 0.00 O ATOM 0 H ASP A 49 -12.109 -0.834 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.770 -3.268 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.565 -0.477 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.711 -0.975 -7.256 1.00 0.00 H new ATOM 453 N VAL A 50 -10.782 -2.895 -7.244 1.00 0.00 N ATOM 454 CA VAL A 50 -9.489 -2.925 -7.905 1.00 0.00 C ATOM 455 C VAL A 50 -9.687 -2.769 -9.413 1.00 0.00 C ATOM 456 O VAL A 50 -10.461 -3.507 -10.021 1.00 0.00 O ATOM 457 CB VAL A 50 -8.738 -4.205 -7.529 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.679 -5.412 -7.534 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.546 -4.435 -8.459 1.00 0.00 C ATOM 0 H VAL A 50 -11.504 -3.457 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.871 -2.092 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.353 -4.083 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.122 -6.309 -7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.480 -5.252 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.106 -5.536 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.030 -5.351 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.898 -4.526 -9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.859 -3.592 -8.385 1.00 0.00 H new ATOM 469 N LYS A 51 -8.973 -1.805 -9.975 1.00 0.00 N ATOM 470 CA LYS A 51 -9.061 -1.543 -11.402 1.00 0.00 C ATOM 471 C LYS A 51 -7.734 -1.916 -12.067 1.00 0.00 C ATOM 472 O LYS A 51 -6.669 -1.730 -11.481 1.00 0.00 O ATOM 473 CB LYS A 51 -9.492 -0.096 -11.656 1.00 0.00 C ATOM 474 CG LYS A 51 -10.692 0.279 -10.786 1.00 0.00 C ATOM 475 CD LYS A 51 -11.948 -0.475 -11.231 1.00 0.00 C ATOM 476 CE LYS A 51 -13.215 0.260 -10.788 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.367 -0.668 -10.752 1.00 0.00 N ATOM 0 H LYS A 51 -8.331 -1.196 -9.468 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.832 -2.165 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.661 0.577 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.747 0.032 -12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.476 0.049 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.868 1.353 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.946 -0.583 -12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.941 -1.481 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.062 0.698 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.424 1.082 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.218 -0.153 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.522 -1.066 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.172 -1.438 -10.081 1.00 0.00 H new ATOM 491 N SER A 52 -7.844 -2.434 -13.282 1.00 0.00 N ATOM 492 CA SER A 52 -6.666 -2.834 -14.033 1.00 0.00 C ATOM 493 C SER A 52 -6.464 -1.899 -15.227 1.00 0.00 C ATOM 494 O SER A 52 -7.303 -1.843 -16.124 1.00 0.00 O ATOM 495 CB SER A 52 -6.782 -4.284 -14.508 1.00 0.00 C ATOM 496 OG SER A 52 -7.142 -5.165 -13.448 1.00 0.00 O ATOM 0 H SER A 52 -8.730 -2.586 -13.764 1.00 0.00 H new ATOM 0 HA SER A 52 -5.800 -2.764 -13.374 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.527 -4.347 -15.301 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.832 -4.602 -14.937 1.00 0.00 H new ATOM 0 HG SER A 52 -7.208 -6.080 -13.792 1.00 0.00 H new ATOM 502 N GLU A 53 -5.347 -1.189 -15.198 1.00 0.00 N ATOM 503 CA GLU A 53 -5.023 -0.258 -16.268 1.00 0.00 C ATOM 504 C GLU A 53 -3.704 -0.654 -16.935 1.00 0.00 C ATOM 505 O GLU A 53 -2.632 -0.265 -16.477 1.00 0.00 O ATOM 506 CB GLU A 53 -4.964 1.179 -15.746 1.00 0.00 C ATOM 507 CG GLU A 53 -6.342 1.648 -15.275 1.00 0.00 C ATOM 508 CD GLU A 53 -6.965 2.618 -16.283 1.00 0.00 C ATOM 509 OE1 GLU A 53 -6.547 3.797 -16.267 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.843 2.159 -17.045 1.00 0.00 O ATOM 0 H GLU A 53 -4.654 -1.238 -14.451 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.814 -0.305 -17.016 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.253 1.241 -14.922 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.600 1.841 -16.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.997 0.787 -15.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.252 2.135 -14.304 1.00 0.00 H new ATOM 517 N GLY A 54 -3.828 -1.422 -18.008 1.00 0.00 N ATOM 518 CA GLY A 54 -2.659 -1.874 -18.742 1.00 0.00 C ATOM 519 C GLY A 54 -2.037 -3.104 -18.079 1.00 0.00 C ATOM 520 O GLY A 54 -2.595 -4.198 -18.145 1.00 0.00 O ATOM 0 H GLY A 54 -4.720 -1.742 -18.386 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.939 -2.112 -19.768 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.923 -1.071 -18.791 1.00 0.00 H new ATOM 524 N ASP A 55 -0.889 -2.883 -17.456 1.00 0.00 N ATOM 525 CA ASP A 55 -0.184 -3.960 -16.781 1.00 0.00 C ATOM 526 C ASP A 55 -0.008 -3.600 -15.305 1.00 0.00 C ATOM 527 O ASP A 55 0.563 -4.376 -14.538 1.00 0.00 O ATOM 528 CB ASP A 55 1.205 -4.171 -17.385 1.00 0.00 C ATOM 529 CG ASP A 55 1.217 -4.791 -18.784 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.815 -5.970 -18.885 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.625 -4.072 -19.721 1.00 0.00 O ATOM 0 H ASP A 55 -0.429 -1.974 -17.404 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.770 -4.872 -16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.716 -3.209 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.782 -4.810 -16.716 1.00 0.00 H new ATOM 536 N LEU A 56 -0.510 -2.429 -14.949 1.00 0.00 N ATOM 537 CA LEU A 56 -0.416 -1.957 -13.577 1.00 0.00 C ATOM 538 C LEU A 56 -1.725 -2.264 -12.847 1.00 0.00 C ATOM 539 O LEU A 56 -2.763 -2.459 -13.479 1.00 0.00 O ATOM 540 CB LEU A 56 -0.024 -0.479 -13.544 1.00 0.00 C ATOM 541 CG LEU A 56 1.243 -0.104 -14.313 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.982 1.047 -13.625 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.144 -1.324 -14.516 1.00 0.00 C ATOM 0 H LEU A 56 -0.985 -1.790 -15.587 1.00 0.00 H new ATOM 0 HA LEU A 56 0.377 -2.484 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.853 0.105 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.105 -0.181 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 56 0.950 0.247 -15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.879 1.294 -14.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.331 1.920 -13.577 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.262 0.747 -12.615 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.038 -1.029 -15.066 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.432 -1.729 -13.546 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.605 -2.084 -15.081 1.00 0.00 H new ATOM 555 N ILE A 57 -1.634 -2.298 -11.526 1.00 0.00 N ATOM 556 CA ILE A 57 -2.799 -2.576 -10.703 1.00 0.00 C ATOM 557 C ILE A 57 -3.262 -1.284 -10.026 1.00 0.00 C ATOM 558 O ILE A 57 -2.443 -0.494 -9.564 1.00 0.00 O ATOM 559 CB ILE A 57 -2.500 -3.710 -9.719 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.708 -4.639 -9.571 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.031 -3.160 -8.371 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.503 -5.623 -8.418 1.00 0.00 C ATOM 0 H ILE A 57 -0.772 -2.138 -11.005 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.626 -2.927 -11.321 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.682 -4.306 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.607 -4.048 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.865 -5.188 -10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.826 -3.988 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.123 -2.574 -8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.809 -2.526 -7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.375 -6.272 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.617 -6.229 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.370 -5.071 -7.488 1.00 0.00 H new ATOM 574 N ILE A 58 -4.576 -1.110 -9.994 1.00 0.00 N ATOM 575 CA ILE A 58 -5.157 0.074 -9.383 1.00 0.00 C ATOM 576 C ILE A 58 -6.028 -0.346 -8.196 1.00 0.00 C ATOM 577 O ILE A 58 -6.702 -1.374 -8.250 1.00 0.00 O ATOM 578 CB ILE A 58 -5.904 0.903 -10.429 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.084 1.033 -11.715 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.302 2.268 -9.864 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.849 1.906 -11.491 1.00 0.00 C ATOM 0 H ILE A 58 -5.253 -1.768 -10.380 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.375 0.725 -8.992 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.825 0.379 -10.686 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.778 0.044 -12.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.702 1.465 -12.502 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.832 2.838 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.951 2.129 -9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.407 2.812 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.284 1.982 -12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.160 2.901 -11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.222 1.458 -10.720 1.00 0.00 H new ATOM 593 N ALA A 59 -5.984 0.470 -7.153 1.00 0.00 N ATOM 594 CA ALA A 59 -6.759 0.195 -5.956 1.00 0.00 C ATOM 595 C ALA A 59 -7.800 1.300 -5.764 1.00 0.00 C ATOM 596 O ALA A 59 -7.531 2.467 -6.041 1.00 0.00 O ATOM 597 CB ALA A 59 -5.818 0.067 -4.756 1.00 0.00 C ATOM 0 H ALA A 59 -5.424 1.321 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.294 -0.750 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.400 -0.139 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.116 -0.749 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.267 0.998 -4.625 1.00 0.00 H new ATOM 603 N SER A 60 -8.970 0.890 -5.293 1.00 0.00 N ATOM 604 CA SER A 60 -10.053 1.831 -5.061 1.00 0.00 C ATOM 605 C SER A 60 -10.302 1.984 -3.559 1.00 0.00 C ATOM 606 O SER A 60 -10.816 1.070 -2.916 1.00 0.00 O ATOM 607 CB SER A 60 -11.333 1.381 -5.768 1.00 0.00 C ATOM 608 OG SER A 60 -11.911 2.428 -6.544 1.00 0.00 O ATOM 0 H SER A 60 -9.191 -0.080 -5.066 1.00 0.00 H new ATOM 0 HA SER A 60 -9.761 2.797 -5.474 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.111 0.531 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.055 1.038 -5.027 1.00 0.00 H new ATOM 0 HG SER A 60 -12.725 2.100 -6.981 1.00 0.00 H new ATOM 614 N ILE A 61 -9.923 3.144 -3.045 1.00 0.00 N ATOM 615 CA ILE A 61 -10.098 3.427 -1.630 1.00 0.00 C ATOM 616 C ILE A 61 -10.733 4.811 -1.467 1.00 0.00 C ATOM 617 O ILE A 61 -10.559 5.681 -2.317 1.00 0.00 O ATOM 618 CB ILE A 61 -8.773 3.268 -0.882 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.873 4.486 -1.095 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.074 1.965 -1.278 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.616 4.399 -0.227 1.00 0.00 C ATOM 0 H ILE A 61 -9.496 3.899 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.780 2.706 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.988 3.209 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.590 4.554 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.423 5.396 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.135 1.876 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.717 1.119 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.872 1.971 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.994 5.278 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.902 4.356 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.055 3.501 -0.488 1.00 0.00 H new ATOM 633 N PRO A 62 -11.474 4.972 -0.338 1.00 0.00 N ATOM 634 CA PRO A 62 -12.137 6.234 -0.052 1.00 0.00 C ATOM 635 C PRO A 62 -11.129 7.288 0.416 1.00 0.00 C ATOM 636 O PRO A 62 -10.257 6.997 1.233 1.00 0.00 O ATOM 637 CB PRO A 62 -13.180 5.900 1.002 1.00 0.00 C ATOM 638 CG PRO A 62 -12.756 4.571 1.602 1.00 0.00 C ATOM 639 CD PRO A 62 -11.701 3.963 0.692 1.00 0.00 C ATOM 0 HA PRO A 62 -12.607 6.673 -0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.226 6.676 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.174 5.829 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.357 4.716 2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.612 3.903 1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.785 3.743 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.046 3.025 0.258 1.00 0.00 H new ATOM 647 N GLY A 63 -11.284 8.488 -0.122 1.00 0.00 N ATOM 648 CA GLY A 63 -10.400 9.586 0.230 1.00 0.00 C ATOM 649 C GLY A 63 -9.305 9.768 -0.822 1.00 0.00 C ATOM 650 O GLY A 63 -8.768 10.862 -0.983 1.00 0.00 O ATOM 0 H GLY A 63 -12.009 8.725 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.977 10.506 0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.947 9.395 1.203 1.00 0.00 H new ATOM 654 N ILE A 64 -9.006 8.676 -1.514 1.00 0.00 N ATOM 655 CA ILE A 64 -7.986 8.702 -2.546 1.00 0.00 C ATOM 656 C ILE A 64 -8.654 8.618 -3.920 1.00 0.00 C ATOM 657 O ILE A 64 -9.636 7.898 -4.093 1.00 0.00 O ATOM 658 CB ILE A 64 -6.946 7.607 -2.300 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.106 7.915 -1.058 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.077 7.387 -3.539 1.00 0.00 C ATOM 661 CD1 ILE A 64 -4.948 6.928 -0.920 1.00 0.00 C ATOM 0 H ILE A 64 -9.453 7.769 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.437 9.643 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.474 6.673 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.717 8.931 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.735 7.869 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.347 6.604 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.707 7.088 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.557 8.312 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.368 7.170 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.342 5.915 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.307 6.994 -1.799 1.00 0.00 H new ATOM 673 N SER A 65 -8.093 9.364 -4.861 1.00 0.00 N ATOM 674 CA SER A 65 -8.623 9.383 -6.215 1.00 0.00 C ATOM 675 C SER A 65 -8.208 8.111 -6.956 1.00 0.00 C ATOM 676 O SER A 65 -9.058 7.318 -7.358 1.00 0.00 O ATOM 677 CB SER A 65 -8.147 10.621 -6.976 1.00 0.00 C ATOM 678 OG SER A 65 -8.435 10.536 -8.368 1.00 0.00 O ATOM 0 H SER A 65 -7.278 9.959 -4.713 1.00 0.00 H new ATOM 0 HA SER A 65 -9.711 9.423 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.625 11.508 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.073 10.742 -6.835 1.00 0.00 H new ATOM 0 HG SER A 65 -8.117 11.346 -8.818 1.00 0.00 H new ATOM 684 N ARG A 66 -6.902 7.958 -7.118 1.00 0.00 N ATOM 685 CA ARG A 66 -6.363 6.796 -7.805 1.00 0.00 C ATOM 686 C ARG A 66 -4.929 6.526 -7.346 1.00 0.00 C ATOM 687 O ARG A 66 -4.148 7.458 -7.159 1.00 0.00 O ATOM 688 CB ARG A 66 -6.379 6.997 -9.322 1.00 0.00 C ATOM 689 CG ARG A 66 -7.727 6.584 -9.917 1.00 0.00 C ATOM 690 CD ARG A 66 -7.582 6.204 -11.391 1.00 0.00 C ATOM 691 NE ARG A 66 -8.424 7.088 -12.227 1.00 0.00 N ATOM 692 CZ ARG A 66 -8.706 6.858 -13.516 1.00 0.00 C ATOM 693 NH1 ARG A 66 -8.214 5.772 -14.126 1.00 0.00 N ATOM 694 NH2 ARG A 66 -9.478 7.717 -14.196 1.00 0.00 N ATOM 0 H ARG A 66 -6.201 8.620 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.993 5.942 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.180 8.043 -9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.581 6.411 -9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.132 5.740 -9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.439 7.403 -9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.539 6.287 -11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.875 5.164 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.814 7.925 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.624 5.120 -13.609 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.429 5.597 -15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.850 8.545 -13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.693 7.542 -15.178 1.00 0.00 H new ATOM 708 N ILE A 67 -4.625 5.248 -7.180 1.00 0.00 N ATOM 709 CA ILE A 67 -3.298 4.844 -6.749 1.00 0.00 C ATOM 710 C ILE A 67 -2.837 3.648 -7.584 1.00 0.00 C ATOM 711 O ILE A 67 -3.657 2.863 -8.058 1.00 0.00 O ATOM 712 CB ILE A 67 -3.281 4.584 -5.242 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.316 3.524 -4.856 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.475 5.883 -4.458 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.645 4.172 -4.462 1.00 0.00 C ATOM 0 H ILE A 67 -5.275 4.478 -7.336 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.581 5.647 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.300 4.190 -4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.473 2.843 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.938 2.927 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.459 5.669 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.671 6.578 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.433 6.329 -4.724 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.362 3.397 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.489 4.834 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.032 4.748 -5.302 1.00 0.00 H new ATOM 727 N GLU A 68 -1.524 3.546 -7.740 1.00 0.00 N ATOM 728 CA GLU A 68 -0.944 2.459 -8.510 1.00 0.00 C ATOM 729 C GLU A 68 -0.081 1.573 -7.610 1.00 0.00 C ATOM 730 O GLU A 68 0.696 2.076 -6.799 1.00 0.00 O ATOM 731 CB GLU A 68 -0.133 2.997 -9.691 1.00 0.00 C ATOM 732 CG GLU A 68 -0.955 2.959 -10.981 1.00 0.00 C ATOM 733 CD GLU A 68 -0.373 3.910 -12.030 1.00 0.00 C ATOM 734 OE1 GLU A 68 -0.024 5.045 -11.636 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.289 3.482 -13.201 1.00 0.00 O ATOM 0 H GLU A 68 -0.846 4.199 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.754 1.852 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.181 4.020 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.773 2.404 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.972 1.943 -11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.987 3.236 -10.767 1.00 0.00 H new ATOM 742 N ILE A 69 -0.246 0.269 -7.783 1.00 0.00 N ATOM 743 CA ILE A 69 0.509 -0.690 -6.997 1.00 0.00 C ATOM 744 C ILE A 69 1.312 -1.594 -7.935 1.00 0.00 C ATOM 745 O ILE A 69 0.852 -1.925 -9.026 1.00 0.00 O ATOM 746 CB ILE A 69 -0.420 -1.458 -6.052 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.831 -0.587 -4.863 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.218 -2.774 -5.605 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.893 0.436 -5.273 1.00 0.00 C ATOM 0 H ILE A 69 -0.891 -0.145 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 69 1.226 -0.176 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.330 -1.711 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.218 -1.217 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.043 -0.070 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.463 -3.299 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.420 -3.395 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.152 -2.567 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.167 1.042 -4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.494 1.080 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.775 -0.085 -5.646 1.00 0.00 H new ATOM 761 N LYS A 70 2.499 -1.965 -7.476 1.00 0.00 N ATOM 762 CA LYS A 70 3.369 -2.822 -8.261 1.00 0.00 C ATOM 763 C LYS A 70 4.012 -3.866 -7.345 1.00 0.00 C ATOM 764 O LYS A 70 5.051 -3.610 -6.739 1.00 0.00 O ATOM 765 CB LYS A 70 4.383 -1.985 -9.043 1.00 0.00 C ATOM 766 CG LYS A 70 3.982 -1.873 -10.516 1.00 0.00 C ATOM 767 CD LYS A 70 3.096 -0.649 -10.752 1.00 0.00 C ATOM 768 CE LYS A 70 3.931 0.632 -10.807 1.00 0.00 C ATOM 769 NZ LYS A 70 3.638 1.493 -9.639 1.00 0.00 N ATOM 0 H LYS A 70 2.878 -1.687 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 70 2.792 -3.365 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.453 -0.989 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.371 -2.438 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.876 -1.804 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.451 -2.775 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.546 -0.769 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.357 -0.571 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.992 0.381 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.716 1.174 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.506 1.984 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.915 2.194 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.287 0.907 -8.855 1.00 0.00 H new ATOM 783 N PRO A 71 3.347 -5.051 -7.270 1.00 0.00 N ATOM 784 CA PRO A 71 3.842 -6.134 -6.438 1.00 0.00 C ATOM 785 C PRO A 71 5.052 -6.812 -7.083 1.00 0.00 C ATOM 786 O PRO A 71 4.989 -7.236 -8.236 1.00 0.00 O ATOM 787 CB PRO A 71 2.657 -7.070 -6.266 1.00 0.00 C ATOM 788 CG PRO A 71 1.685 -6.722 -7.381 1.00 0.00 C ATOM 789 CD PRO A 71 2.114 -5.390 -7.972 1.00 0.00 C ATOM 0 HA PRO A 71 4.204 -5.789 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.970 -8.112 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.193 -6.937 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.688 -7.498 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.668 -6.659 -6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.279 -5.469 -9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.351 -4.626 -7.822 1.00 0.00 H new ATOM 797 N ASP A 72 6.126 -6.896 -6.311 1.00 0.00 N ATOM 798 CA ASP A 72 7.348 -7.516 -6.793 1.00 0.00 C ATOM 799 C ASP A 72 7.872 -8.491 -5.735 1.00 0.00 C ATOM 800 O ASP A 72 7.647 -8.297 -4.542 1.00 0.00 O ATOM 801 CB ASP A 72 8.433 -6.469 -7.048 1.00 0.00 C ATOM 802 CG ASP A 72 9.204 -6.642 -8.359 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.555 -7.048 -9.349 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.423 -6.366 -8.342 1.00 0.00 O ATOM 0 H ASP A 72 6.175 -6.545 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 72 7.119 -8.033 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.972 -5.481 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.142 -6.494 -6.221 1.00 0.00 H new ATOM 809 N LYS A 73 8.557 -9.519 -6.213 1.00 0.00 N ATOM 810 CA LYS A 73 9.115 -10.525 -5.325 1.00 0.00 C ATOM 811 C LYS A 73 10.011 -9.843 -4.290 1.00 0.00 C ATOM 812 O LYS A 73 10.008 -10.218 -3.117 1.00 0.00 O ATOM 813 CB LYS A 73 9.822 -11.618 -6.127 1.00 0.00 C ATOM 814 CG LYS A 73 11.036 -11.054 -6.869 1.00 0.00 C ATOM 815 CD LYS A 73 11.243 -11.770 -8.205 1.00 0.00 C ATOM 816 CE LYS A 73 12.278 -11.040 -9.063 1.00 0.00 C ATOM 817 NZ LYS A 73 12.500 -11.764 -10.335 1.00 0.00 N ATOM 0 H LYS A 73 8.739 -9.677 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 73 8.321 -11.031 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.139 -12.418 -5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.126 -12.058 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.897 -9.987 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.927 -11.164 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.571 -12.794 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.296 -11.828 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.937 -10.025 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.218 -10.956 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.205 -11.255 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.846 -12.724 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.605 -11.822 -10.862 1.00 0.00 H new ATOM 831 N ARG A 74 10.759 -8.855 -4.759 1.00 0.00 N ATOM 832 CA ARG A 74 11.660 -8.119 -3.889 1.00 0.00 C ATOM 833 C ARG A 74 10.862 -7.282 -2.886 1.00 0.00 C ATOM 834 O ARG A 74 10.867 -7.569 -1.689 1.00 0.00 O ATOM 835 CB ARG A 74 12.575 -7.196 -4.697 1.00 0.00 C ATOM 836 CG ARG A 74 13.979 -7.152 -4.093 1.00 0.00 C ATOM 837 CD ARG A 74 15.035 -6.912 -5.175 1.00 0.00 C ATOM 838 NE ARG A 74 16.340 -7.457 -4.740 1.00 0.00 N ATOM 839 CZ ARG A 74 17.461 -7.395 -5.471 1.00 0.00 C ATOM 840 NH1 ARG A 74 17.443 -6.813 -6.678 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.601 -7.916 -4.995 1.00 0.00 N ATOM 0 H ARG A 74 10.759 -8.547 -5.731 1.00 0.00 H new ATOM 0 HA ARG A 74 12.274 -8.845 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.630 -7.544 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.154 -6.191 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.033 -6.360 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.187 -8.090 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.726 -7.386 -6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.126 -5.844 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 74 16.389 -7.908 -3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.576 -6.417 -7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.297 -6.766 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.615 -8.359 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.455 -7.869 -5.551 1.00 0.00 H new ATOM 855 N LYS A 75 10.196 -6.264 -3.410 1.00 0.00 N ATOM 856 CA LYS A 75 9.396 -5.384 -2.577 1.00 0.00 C ATOM 857 C LYS A 75 8.236 -4.821 -3.401 1.00 0.00 C ATOM 858 O LYS A 75 8.027 -5.228 -4.543 1.00 0.00 O ATOM 859 CB LYS A 75 10.275 -4.307 -1.935 1.00 0.00 C ATOM 860 CG LYS A 75 11.113 -3.584 -2.991 1.00 0.00 C ATOM 861 CD LYS A 75 12.607 -3.723 -2.694 1.00 0.00 C ATOM 862 CE LYS A 75 13.381 -2.501 -3.193 1.00 0.00 C ATOM 863 NZ LYS A 75 14.830 -2.797 -3.260 1.00 0.00 N ATOM 0 H LYS A 75 10.194 -6.029 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 75 8.957 -5.940 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.649 -3.588 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.931 -4.762 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.895 -3.994 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.840 -2.529 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.759 -3.841 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.994 -4.623 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.017 -2.210 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.207 -1.656 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.340 -1.957 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.176 -3.052 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.993 -3.590 -3.914 1.00 0.00 H new ATOM 877 N ILE A 76 7.513 -3.894 -2.790 1.00 0.00 N ATOM 878 CA ILE A 76 6.380 -3.270 -3.454 1.00 0.00 C ATOM 879 C ILE A 76 6.487 -1.750 -3.315 1.00 0.00 C ATOM 880 O ILE A 76 7.235 -1.251 -2.476 1.00 0.00 O ATOM 881 CB ILE A 76 5.066 -3.847 -2.924 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.660 -3.167 -1.614 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.152 -5.368 -2.780 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.254 -3.599 -1.186 1.00 0.00 C ATOM 0 H ILE A 76 7.689 -3.560 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 76 6.392 -3.493 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 76 4.282 -3.639 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.376 -3.419 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.690 -2.084 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.205 -5.752 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.362 -5.814 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.951 -5.623 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.989 -3.102 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.537 -3.324 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.234 -4.679 -1.040 1.00 0.00 H new ATOM 896 N LEU A 77 5.728 -1.057 -4.151 1.00 0.00 N ATOM 897 CA LEU A 77 5.727 0.396 -4.132 1.00 0.00 C ATOM 898 C LEU A 77 4.346 0.906 -4.548 1.00 0.00 C ATOM 899 O LEU A 77 3.624 0.227 -5.277 1.00 0.00 O ATOM 900 CB LEU A 77 6.870 0.942 -4.990 1.00 0.00 C ATOM 901 CG LEU A 77 7.319 0.057 -6.153 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.961 -1.235 -5.644 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.159 -0.221 -7.111 1.00 0.00 C ATOM 0 H LEU A 77 5.109 -1.475 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 77 5.912 0.765 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.566 1.909 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.729 1.121 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 77 8.081 0.596 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.271 -1.846 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.831 -0.993 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.239 -1.788 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.506 -0.853 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.358 -0.730 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.786 0.721 -7.513 1.00 0.00 H new ATOM 915 N VAL A 78 4.021 2.097 -4.069 1.00 0.00 N ATOM 916 CA VAL A 78 2.740 2.706 -4.382 1.00 0.00 C ATOM 917 C VAL A 78 2.961 4.162 -4.798 1.00 0.00 C ATOM 918 O VAL A 78 3.872 4.822 -4.301 1.00 0.00 O ATOM 919 CB VAL A 78 1.786 2.561 -3.195 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.344 2.379 -3.669 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.215 1.407 -2.286 1.00 0.00 C ATOM 0 H VAL A 78 4.623 2.657 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 78 2.270 2.195 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 78 1.832 3.482 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.313 2.278 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.042 3.246 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.274 1.482 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.521 1.325 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.211 0.476 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.219 1.597 -1.907 1.00 0.00 H new ATOM 931 N ASN A 79 2.110 4.620 -5.705 1.00 0.00 N ATOM 932 CA ASN A 79 2.201 5.986 -6.192 1.00 0.00 C ATOM 933 C ASN A 79 0.844 6.673 -6.028 1.00 0.00 C ATOM 934 O ASN A 79 -0.148 6.244 -6.615 1.00 0.00 O ATOM 935 CB ASN A 79 2.569 6.017 -7.677 1.00 0.00 C ATOM 936 CG ASN A 79 2.965 7.429 -8.115 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.093 8.341 -7.315 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.152 7.558 -9.425 1.00 0.00 N ATOM 0 H ASN A 79 1.355 4.070 -6.115 1.00 0.00 H new ATOM 0 HA ASN A 79 2.973 6.498 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.394 5.329 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.724 5.672 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.419 8.462 -9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.028 6.753 -10.040 1.00 0.00 H new ATOM 945 N THR A 80 0.844 7.727 -5.225 1.00 0.00 N ATOM 946 CA THR A 80 -0.376 8.477 -4.975 1.00 0.00 C ATOM 947 C THR A 80 -0.378 9.776 -5.786 1.00 0.00 C ATOM 948 O THR A 80 0.650 10.438 -5.907 1.00 0.00 O ATOM 949 CB THR A 80 -0.491 8.704 -3.467 1.00 0.00 C ATOM 950 OG1 THR A 80 0.397 9.788 -3.210 1.00 0.00 O ATOM 951 CG2 THR A 80 0.091 7.544 -2.655 1.00 0.00 C ATOM 0 H THR A 80 1.669 8.079 -4.739 1.00 0.00 H new ATOM 0 HA THR A 80 -1.255 7.923 -5.303 1.00 0.00 H new ATOM 0 HB THR A 80 -1.538 8.845 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.383 10.003 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.016 7.755 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.443 6.626 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.147 7.424 -2.897 1.00 0.00 H new ATOM 959 N GLY A 81 -1.546 10.099 -6.320 1.00 0.00 N ATOM 960 CA GLY A 81 -1.698 11.306 -7.115 1.00 0.00 C ATOM 961 C GLY A 81 -1.993 12.516 -6.225 1.00 0.00 C ATOM 962 O GLY A 81 -1.083 13.094 -5.634 1.00 0.00 O ATOM 0 H GLY A 81 -2.397 9.546 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.788 11.485 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.507 11.173 -7.834 1.00 0.00 H new ATOM 966 N ASP A 82 -3.269 12.864 -6.161 1.00 0.00 N ATOM 967 CA ASP A 82 -3.697 13.994 -5.354 1.00 0.00 C ATOM 968 C ASP A 82 -4.850 13.561 -4.446 1.00 0.00 C ATOM 969 O ASP A 82 -5.664 12.721 -4.827 1.00 0.00 O ATOM 970 CB ASP A 82 -4.195 15.143 -6.235 1.00 0.00 C ATOM 971 CG ASP A 82 -4.910 16.269 -5.485 1.00 0.00 C ATOM 972 OD1 ASP A 82 -5.994 15.985 -4.932 1.00 0.00 O ATOM 973 OD2 ASP A 82 -4.355 17.389 -5.482 1.00 0.00 O ATOM 0 H ASP A 82 -4.021 12.383 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.842 14.332 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.345 15.566 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.874 14.738 -6.985 1.00 0.00 H new ATOM 978 N TYR A 83 -4.883 14.154 -3.261 1.00 0.00 N ATOM 979 CA TYR A 83 -5.921 13.840 -2.296 1.00 0.00 C ATOM 980 C TYR A 83 -6.965 14.958 -2.230 1.00 0.00 C ATOM 981 O TYR A 83 -6.677 16.101 -2.580 1.00 0.00 O ATOM 982 CB TYR A 83 -5.220 13.731 -0.941 1.00 0.00 C ATOM 983 CG TYR A 83 -4.648 12.344 -0.645 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.281 11.512 -1.684 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.499 11.922 0.660 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.744 10.206 -1.405 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.961 10.616 0.939 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.610 9.824 -0.108 1.00 0.00 C ATOM 989 OH TYR A 83 -3.102 8.589 0.156 1.00 0.00 O ATOM 0 H TYR A 83 -4.207 14.850 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.437 12.921 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.412 14.462 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.928 13.996 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.397 11.841 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.786 12.572 1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.454 9.545 -2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.839 10.274 1.956 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.479 8.253 0.996 1.00 0.00 H new ATOM 999 N ASP A 84 -8.154 14.588 -1.778 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.241 15.545 -1.660 1.00 0.00 C ATOM 1001 C ASP A 84 -8.973 16.471 -0.473 1.00 0.00 C ATOM 1002 O ASP A 84 -8.995 16.036 0.676 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.575 14.837 -1.415 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.401 14.561 -2.673 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.083 13.563 -3.356 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -12.333 15.355 -2.924 1.00 0.00 O ATOM 0 H ASP A 84 -8.389 13.638 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.297 16.107 -2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.380 13.890 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.171 15.443 -0.733 1.00 0.00 H new ATOM 1011 N SER A 85 -8.727 17.734 -0.792 1.00 0.00 N ATOM 1012 CA SER A 85 -8.455 18.726 0.234 1.00 0.00 C ATOM 1013 C SER A 85 -9.587 18.742 1.261 1.00 0.00 C ATOM 1014 O SER A 85 -9.365 19.040 2.433 1.00 0.00 O ATOM 1015 CB SER A 85 -8.274 20.117 -0.379 1.00 0.00 C ATOM 1016 OG SER A 85 -9.240 20.383 -1.393 1.00 0.00 O ATOM 0 H SER A 85 -8.711 18.093 -1.747 1.00 0.00 H new ATOM 0 HA SER A 85 -7.525 18.455 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.353 20.871 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.273 20.200 -0.801 1.00 0.00 H new ATOM 0 HG SER A 85 -9.092 21.280 -1.758 1.00 0.00 H new ATOM 1022 N ASP A 86 -10.780 18.414 0.784 1.00 0.00 N ATOM 1023 CA ASP A 86 -11.949 18.386 1.645 1.00 0.00 C ATOM 1024 C ASP A 86 -11.769 17.299 2.707 1.00 0.00 C ATOM 1025 O ASP A 86 -11.939 17.554 3.899 1.00 0.00 O ATOM 1026 CB ASP A 86 -13.215 18.064 0.849 1.00 0.00 C ATOM 1027 CG ASP A 86 -14.166 19.244 0.641 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -14.176 20.128 1.526 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -14.863 19.235 -0.396 1.00 0.00 O ATOM 0 H ASP A 86 -10.961 18.165 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.053 19.370 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.923 17.675 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.755 17.267 1.361 1.00 0.00 H new ATOM 1034 N ALA A 87 -11.427 16.108 2.236 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.222 14.981 3.129 1.00 0.00 C ATOM 1036 C ALA A 87 -9.938 15.199 3.932 1.00 0.00 C ATOM 1037 O ALA A 87 -8.987 15.802 3.438 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.190 13.686 2.317 1.00 0.00 C ATOM 0 H ALA A 87 -11.287 15.900 1.247 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.045 14.899 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.036 12.840 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.136 13.564 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.375 13.730 1.595 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.951 14.695 5.157 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.798 14.826 6.032 1.00 0.00 C ATOM 1046 C ASP A 88 -7.661 13.947 5.507 1.00 0.00 C ATOM 1047 O ASP A 88 -7.664 12.735 5.713 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.132 14.369 7.454 1.00 0.00 C ATOM 1049 CG ASP A 88 -10.006 15.334 8.255 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.654 16.534 8.279 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -11.008 14.851 8.828 1.00 0.00 O ATOM 0 H ASP A 88 -10.741 14.195 5.565 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.505 15.876 6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.637 13.405 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.200 14.211 7.997 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.717 14.594 4.839 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.577 13.886 4.283 1.00 0.00 C ATOM 1058 C LYS A 89 -4.945 13.013 5.369 1.00 0.00 C ATOM 1059 O LYS A 89 -4.358 11.974 5.070 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.597 14.870 3.640 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.178 15.460 2.353 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.309 16.606 1.834 1.00 0.00 C ATOM 1063 CE LYS A 89 -5.064 17.934 1.885 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.142 19.043 2.219 1.00 0.00 N ATOM 0 H LYS A 89 -6.718 15.600 4.671 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.897 13.219 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.369 15.672 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.658 14.362 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.252 14.682 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.190 15.821 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.400 16.677 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.001 16.398 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.539 18.126 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.859 17.878 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.672 19.938 2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.708 18.866 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.398 19.106 1.495 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.090 13.464 6.606 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.540 12.737 7.738 1.00 0.00 C ATOM 1080 C LEU A 90 -5.411 11.510 8.019 1.00 0.00 C ATOM 1081 O LEU A 90 -4.900 10.455 8.393 1.00 0.00 O ATOM 1082 CB LEU A 90 -4.375 13.664 8.943 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.947 13.837 9.465 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -2.202 14.914 8.674 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -2.945 14.125 10.968 1.00 0.00 C ATOM 0 H LEU A 90 -5.581 14.324 6.850 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.538 12.373 7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.765 14.646 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.994 13.285 9.756 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.412 12.899 9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.190 15.018 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.158 14.628 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.727 15.864 8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.918 14.244 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.502 15.041 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.413 13.295 11.498 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.709 11.690 7.831 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.655 10.611 8.061 1.00 0.00 C ATOM 1099 C ALA A 91 -7.564 9.605 6.912 1.00 0.00 C ATOM 1100 O ALA A 91 -7.410 8.406 7.143 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.062 11.192 8.217 1.00 0.00 C ATOM 0 H ALA A 91 -7.129 12.567 7.522 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.416 10.081 8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.772 10.384 8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.080 11.878 9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.337 11.729 7.309 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.661 10.129 5.698 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.591 9.290 4.514 1.00 0.00 C ATOM 1109 C VAL A 92 -6.282 8.500 4.531 1.00 0.00 C ATOM 1110 O VAL A 92 -6.206 7.407 3.971 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.757 10.147 3.258 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.870 11.182 3.441 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.439 10.822 2.876 1.00 0.00 C ATOM 0 H VAL A 92 -7.787 11.123 5.510 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.406 8.566 4.508 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.045 9.487 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.966 11.777 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.812 10.672 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.625 11.835 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.585 11.425 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.108 11.462 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.683 10.061 2.682 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.283 9.083 5.178 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.981 8.447 5.274 1.00 0.00 C ATOM 1125 C VAL A 93 -4.070 7.258 6.233 1.00 0.00 C ATOM 1126 O VAL A 93 -3.427 6.231 6.015 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.927 9.473 5.691 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.855 8.832 6.575 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.301 10.145 4.468 1.00 0.00 C ATOM 0 H VAL A 93 -5.350 9.989 5.641 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.672 8.060 4.303 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.426 10.245 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.118 9.584 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.320 8.425 7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.362 8.030 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.555 10.870 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.825 9.390 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.077 10.654 3.896 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.871 7.435 7.273 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.051 6.389 8.266 1.00 0.00 C ATOM 1141 C ARG A 94 -5.716 5.166 7.634 1.00 0.00 C ATOM 1142 O ARG A 94 -5.516 4.041 8.089 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.908 6.882 9.435 1.00 0.00 C ATOM 1144 CG ARG A 94 -7.368 6.461 9.258 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.593 5.033 9.760 1.00 0.00 C ATOM 1146 NE ARG A 94 -8.364 5.057 11.023 1.00 0.00 N ATOM 1147 CZ ARG A 94 -8.906 3.971 11.593 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -8.763 2.770 11.016 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -9.589 4.087 12.739 1.00 0.00 N ATOM 0 H ARG A 94 -5.403 8.287 7.450 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.065 6.115 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.520 6.479 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.845 7.968 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.016 7.148 9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.644 6.528 8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.129 4.454 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.634 4.539 9.919 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.491 5.955 11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.242 2.682 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.175 1.944 11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.697 5.001 13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.001 3.261 13.173 1.00 0.00 H new ATOM 1163 N THR A 95 -6.495 5.428 6.593 1.00 0.00 N ATOM 1164 CA THR A 95 -7.191 4.361 5.893 1.00 0.00 C ATOM 1165 C THR A 95 -6.294 3.761 4.809 1.00 0.00 C ATOM 1166 O THR A 95 -6.354 2.561 4.544 1.00 0.00 O ATOM 1167 CB THR A 95 -8.503 4.931 5.351 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.368 4.951 6.483 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.195 3.979 4.372 1.00 0.00 C ATOM 0 H THR A 95 -6.659 6.362 6.218 1.00 0.00 H new ATOM 0 HA THR A 95 -7.431 3.536 6.564 1.00 0.00 H new ATOM 0 HB THR A 95 -8.307 5.883 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.242 5.309 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.121 4.432 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.537 3.787 3.524 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.420 3.039 4.876 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.485 4.623 4.210 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.579 4.192 3.160 1.00 0.00 C ATOM 1179 C TYR A 96 -3.405 3.401 3.740 1.00 0.00 C ATOM 1180 O TYR A 96 -2.920 2.458 3.116 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.044 5.473 2.515 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.852 5.249 1.581 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.065 4.938 0.254 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.565 5.357 2.067 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.943 4.727 -0.625 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.443 5.146 1.189 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.689 4.841 -0.113 1.00 0.00 C ATOM 1188 OH TYR A 96 0.372 4.641 -0.943 1.00 0.00 O ATOM 0 H TYR A 96 -5.439 5.617 4.432 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.095 3.547 2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.848 5.948 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.751 6.168 3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.072 4.853 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.399 5.600 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.095 4.484 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.569 5.228 1.556 1.00 0.00 H new ATOM 0 HH TYR A 96 1.002 5.386 -0.854 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.982 3.812 4.927 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.875 3.152 5.598 1.00 0.00 C ATOM 1200 C ASN A 97 -2.327 1.773 6.081 1.00 0.00 C ATOM 1201 O ASN A 97 -1.587 0.798 5.965 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.414 3.953 6.817 1.00 0.00 C ATOM 1203 CG ASN A 97 0.007 4.484 6.619 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.988 3.850 6.971 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.061 5.679 6.037 1.00 0.00 N ATOM 0 H ASN A 97 -3.387 4.594 5.441 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.051 3.069 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.096 4.785 6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.450 3.323 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.964 6.120 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.800 6.154 5.768 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.540 1.735 6.614 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.099 0.492 7.116 1.00 0.00 C ATOM 1214 C ASP A 98 -4.247 -0.499 5.959 1.00 0.00 C ATOM 1215 O ASP A 98 -4.113 -1.706 6.151 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.483 0.716 7.726 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.954 -0.379 8.684 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.596 -1.548 8.429 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.662 -0.021 9.651 1.00 0.00 O ATOM 0 H ASP A 98 -4.151 2.546 6.709 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.427 0.105 7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.479 1.667 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.209 0.807 6.918 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.521 0.049 4.784 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.689 -0.772 3.597 1.00 0.00 C ATOM 1226 C PHE A 99 -3.370 -1.437 3.200 1.00 0.00 C ATOM 1227 O PHE A 99 -3.336 -2.631 2.905 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.137 0.159 2.470 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.089 -0.478 1.079 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.892 -0.703 0.475 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.245 -0.822 0.449 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.848 -1.296 -0.815 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -6.201 -1.414 -0.841 1.00 0.00 C ATOM 1234 CZ PHE A 99 -5.004 -1.640 -1.445 1.00 0.00 C ATOM 0 H PHE A 99 -4.631 1.051 4.629 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.418 -1.559 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.155 0.492 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.505 1.047 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.975 -0.431 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.196 -0.645 0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.897 -1.474 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.118 -1.685 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.971 -2.093 -2.425 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.314 -0.636 3.205 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.996 -1.131 2.848 1.00 0.00 C ATOM 1246 C ILE A 100 -0.410 -1.904 4.030 1.00 0.00 C ATOM 1247 O ILE A 100 0.283 -2.902 3.843 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.107 0.015 2.360 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.822 0.849 1.296 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.241 -0.512 1.864 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.867 0.110 -0.043 1.00 0.00 C ATOM 0 H ILE A 100 -2.345 0.353 3.451 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.064 -1.828 2.013 1.00 0.00 H new ATOM 0 HB ILE A 100 0.095 0.675 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.836 1.073 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.309 1.803 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.854 0.322 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.751 -1.029 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.079 -1.205 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.381 0.726 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.149 -0.091 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.402 -0.832 0.079 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.709 -1.412 5.225 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.220 -2.044 6.437 1.00 0.00 C ATOM 1265 C GLU A 101 -0.641 -3.514 6.478 1.00 0.00 C ATOM 1266 O GLU A 101 0.092 -4.360 6.987 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.711 -1.298 7.681 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.208 -1.974 8.959 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.295 -1.019 10.152 1.00 0.00 C ATOM 1270 OE1 GLU A 101 0.590 -0.140 10.240 1.00 0.00 O ATOM 1271 OE2 GLU A 101 -1.242 -1.190 10.950 1.00 0.00 O ATOM 0 H GLU A 101 -1.284 -0.583 5.378 1.00 0.00 H new ATOM 0 HA GLU A 101 0.869 -1.999 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.364 -0.265 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.801 -1.268 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.799 -2.868 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.824 -2.298 8.822 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.821 -3.773 5.935 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.349 -5.125 5.902 1.00 0.00 C ATOM 1280 C LYS A 102 -1.908 -5.811 4.607 1.00 0.00 C ATOM 1281 O LYS A 102 -1.999 -7.031 4.483 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.866 -5.115 6.105 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.262 -5.957 7.320 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.271 -5.113 8.595 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.391 -5.556 9.539 1.00 0.00 C ATOM 1286 NZ LYS A 102 -4.990 -5.352 10.949 1.00 0.00 N ATOM 0 H LYS A 102 -2.427 -3.068 5.514 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.944 -5.710 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.212 -4.090 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.358 -5.503 5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.249 -6.390 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.565 -6.787 7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.309 -5.201 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.402 -4.062 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.298 -4.990 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.624 -6.607 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.761 -5.657 11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.137 -5.911 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.790 -4.344 11.111 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.441 -4.993 3.673 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.986 -5.505 2.391 1.00 0.00 C ATOM 1302 C LEU A 103 0.499 -5.862 2.489 1.00 0.00 C ATOM 1303 O LEU A 103 0.980 -6.733 1.765 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.309 -4.511 1.273 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.170 -5.046 0.129 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.600 -5.320 0.601 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.134 -4.100 -1.074 1.00 0.00 C ATOM 0 H LEU A 103 -1.368 -3.981 3.779 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.518 -6.421 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.817 -3.652 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.370 -4.147 0.855 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.751 -5.998 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.192 -5.700 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.584 -6.060 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.045 -4.396 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.755 -4.504 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.514 -3.122 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.108 -3.999 -1.427 1.00 0.00 H new ATOM 1319 N THR A 104 1.183 -5.171 3.388 1.00 0.00 N ATOM 1320 CA THR A 104 2.603 -5.405 3.588 1.00 0.00 C ATOM 1321 C THR A 104 2.862 -5.949 4.996 1.00 0.00 C ATOM 1322 O THR A 104 3.785 -6.735 5.201 1.00 0.00 O ATOM 1323 CB THR A 104 3.344 -4.097 3.298 1.00 0.00 C ATOM 1324 OG1 THR A 104 3.032 -3.267 4.414 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.757 -3.348 2.100 1.00 0.00 C ATOM 0 H THR A 104 0.781 -4.449 3.986 1.00 0.00 H new ATOM 0 HA THR A 104 2.977 -6.167 2.904 1.00 0.00 H new ATOM 0 HB THR A 104 4.398 -4.308 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.086 -3.012 4.378 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.318 -2.428 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.822 -3.976 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.713 -3.106 2.298 1.00 0.00 H new ATOM 1333 N GLY A 105 2.028 -5.509 5.927 1.00 0.00 N ATOM 1334 CA GLY A 105 2.154 -5.942 7.308 1.00 0.00 C ATOM 1335 C GLY A 105 2.922 -4.911 8.138 1.00 0.00 C ATOM 1336 O GLY A 105 2.599 -4.682 9.303 1.00 0.00 O ATOM 0 H GLY A 105 1.263 -4.858 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.164 -6.095 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.669 -6.902 7.346 1.00 0.00 H new ATOM 1340 N TYR A 106 3.923 -4.317 7.507 1.00 0.00 N ATOM 1341 CA TYR A 106 4.738 -3.316 8.172 1.00 0.00 C ATOM 1342 C TYR A 106 3.900 -2.096 8.562 1.00 0.00 C ATOM 1343 O TYR A 106 2.975 -1.720 7.846 1.00 0.00 O ATOM 1344 CB TYR A 106 5.797 -2.889 7.153 1.00 0.00 C ATOM 1345 CG TYR A 106 6.993 -3.837 7.062 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.950 -4.923 6.210 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.115 -3.609 7.832 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.075 -5.816 6.126 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.242 -4.502 7.746 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.166 -5.562 6.898 1.00 0.00 C ATOM 1351 OH TYR A 106 10.229 -6.406 6.817 1.00 0.00 O ATOM 0 H TYR A 106 4.188 -4.510 6.541 1.00 0.00 H new ATOM 0 HA TYR A 106 5.175 -3.722 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.331 -2.814 6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.155 -1.893 7.413 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.072 -5.102 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.148 -2.761 8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.054 -6.669 5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.127 -4.333 8.341 1.00 0.00 H new ATOM 0 HH TYR A 106 10.936 -6.101 7.423 1.00 0.00 H new ATOM 1361 N SER A 107 4.256 -1.512 9.695 1.00 0.00 N ATOM 1362 CA SER A 107 3.549 -0.343 10.190 1.00 0.00 C ATOM 1363 C SER A 107 4.444 0.894 10.084 1.00 0.00 C ATOM 1364 O SER A 107 5.646 0.777 9.848 1.00 0.00 O ATOM 1365 CB SER A 107 3.092 -0.545 11.636 1.00 0.00 C ATOM 1366 OG SER A 107 4.175 -0.443 12.557 1.00 0.00 O ATOM 0 H SER A 107 5.026 -1.826 10.286 1.00 0.00 H new ATOM 0 HA SER A 107 2.661 -0.196 9.575 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.334 0.198 11.884 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.623 -1.524 11.735 1.00 0.00 H new ATOM 0 HG SER A 107 3.842 -0.576 13.469 1.00 0.00 H new ATOM 1372 N ALA A 108 3.824 2.051 10.262 1.00 0.00 N ATOM 1373 CA ALA A 108 4.548 3.308 10.190 1.00 0.00 C ATOM 1374 C ALA A 108 5.603 3.348 11.297 1.00 0.00 C ATOM 1375 O ALA A 108 6.693 3.884 11.103 1.00 0.00 O ATOM 1376 CB ALA A 108 3.562 4.474 10.282 1.00 0.00 C ATOM 0 H ALA A 108 2.827 2.144 10.456 1.00 0.00 H new ATOM 0 HA ALA A 108 5.067 3.396 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.107 5.416 10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.853 4.417 9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.023 4.421 11.228 1.00 0.00 H new ATOM 1382 N LYS A 109 5.242 2.774 12.435 1.00 0.00 N ATOM 1383 CA LYS A 109 6.144 2.737 13.575 1.00 0.00 C ATOM 1384 C LYS A 109 7.419 1.985 13.187 1.00 0.00 C ATOM 1385 O LYS A 109 8.480 2.220 13.759 1.00 0.00 O ATOM 1386 CB LYS A 109 5.434 2.158 14.800 1.00 0.00 C ATOM 1387 CG LYS A 109 5.458 3.147 15.966 1.00 0.00 C ATOM 1388 CD LYS A 109 4.105 3.846 16.119 1.00 0.00 C ATOM 1389 CE LYS A 109 4.287 5.304 16.547 1.00 0.00 C ATOM 1390 NZ LYS A 109 4.252 6.199 15.369 1.00 0.00 N ATOM 0 H LYS A 109 4.337 2.330 12.593 1.00 0.00 H new ATOM 0 HA LYS A 109 6.444 3.746 13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.402 1.915 14.546 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.916 1.227 15.098 1.00 0.00 H new ATOM 0 HG2 LYS A 109 5.707 2.622 16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.239 3.890 15.802 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.562 3.805 15.175 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.501 3.319 16.857 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.500 5.584 17.247 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.236 5.420 17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.377 7.184 15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.018 5.941 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.336 6.101 14.886 1.00 0.00 H new ATOM 1404 N GLU A 110 7.269 1.095 12.216 1.00 0.00 N ATOM 1405 CA GLU A 110 8.395 0.305 11.746 1.00 0.00 C ATOM 1406 C GLU A 110 9.386 1.194 10.991 1.00 0.00 C ATOM 1407 O GLU A 110 10.591 0.944 11.014 1.00 0.00 O ATOM 1408 CB GLU A 110 7.922 -0.856 10.871 1.00 0.00 C ATOM 1409 CG GLU A 110 7.961 -0.477 9.389 1.00 0.00 C ATOM 1410 CD GLU A 110 9.344 -0.736 8.791 1.00 0.00 C ATOM 1411 OE1 GLU A 110 10.163 -1.357 9.504 1.00 0.00 O ATOM 1412 OE2 GLU A 110 9.553 -0.311 7.634 1.00 0.00 O ATOM 0 H GLU A 110 6.386 0.904 11.743 1.00 0.00 H new ATOM 0 HA GLU A 110 8.904 -0.120 12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.554 -1.727 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.907 -1.137 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.212 -1.051 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.702 0.575 9.273 1.00 0.00 H new ATOM 1419 N ARG A 111 8.843 2.211 10.340 1.00 0.00 N ATOM 1420 CA ARG A 111 9.665 3.138 9.579 1.00 0.00 C ATOM 1421 C ARG A 111 10.833 3.635 10.432 1.00 0.00 C ATOM 1422 O ARG A 111 11.921 3.887 9.917 1.00 0.00 O ATOM 1423 CB ARG A 111 8.845 4.337 9.100 1.00 0.00 C ATOM 1424 CG ARG A 111 9.147 4.659 7.636 1.00 0.00 C ATOM 1425 CD ARG A 111 8.816 6.118 7.315 1.00 0.00 C ATOM 1426 NE ARG A 111 7.396 6.240 6.917 1.00 0.00 N ATOM 1427 CZ ARG A 111 6.891 5.749 5.777 1.00 0.00 C ATOM 1428 NH1 ARG A 111 7.687 5.101 4.915 1.00 0.00 N ATOM 1429 NH2 ARG A 111 5.590 5.907 5.498 1.00 0.00 N ATOM 0 H ARG A 111 7.844 2.414 10.323 1.00 0.00 H new ATOM 0 HA ARG A 111 10.048 2.604 8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.782 4.125 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.068 5.205 9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.200 4.467 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.568 4.000 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.013 6.744 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.459 6.477 6.512 1.00 0.00 H new ATOM 0 HE ARG A 111 6.762 6.728 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.678 4.981 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.302 4.727 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.984 6.401 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.205 5.533 4.630 1.00 0.00 H new ATOM 1443 N LYS A 112 10.568 3.761 11.725 1.00 0.00 N ATOM 1444 CA LYS A 112 11.584 4.225 12.655 1.00 0.00 C ATOM 1445 C LYS A 112 12.706 3.188 12.734 1.00 0.00 C ATOM 1446 O LYS A 112 13.884 3.539 12.698 1.00 0.00 O ATOM 1447 CB LYS A 112 10.957 4.557 14.011 1.00 0.00 C ATOM 1448 CG LYS A 112 11.635 5.774 14.644 1.00 0.00 C ATOM 1449 CD LYS A 112 10.714 6.995 14.612 1.00 0.00 C ATOM 1450 CE LYS A 112 10.970 7.909 15.811 1.00 0.00 C ATOM 1451 NZ LYS A 112 9.716 8.568 16.239 1.00 0.00 N ATOM 0 H LYS A 112 9.665 3.550 12.150 1.00 0.00 H new ATOM 0 HA LYS A 112 12.031 5.154 12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.892 4.754 13.885 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.046 3.699 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.908 5.547 15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.559 5.998 14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.873 7.550 13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.674 6.670 14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.383 7.329 16.636 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.712 8.663 15.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.909 9.185 17.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.338 9.138 15.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.019 7.845 16.509 1.00 0.00 H new ATOM 1465 N LYS A 113 12.301 1.931 12.844 1.00 0.00 N ATOM 1466 CA LYS A 113 13.259 0.841 12.930 1.00 0.00 C ATOM 1467 C LYS A 113 14.298 0.992 11.817 1.00 0.00 C ATOM 1468 O LYS A 113 15.500 0.933 12.074 1.00 0.00 O ATOM 1469 CB LYS A 113 12.537 -0.509 12.918 1.00 0.00 C ATOM 1470 CG LYS A 113 11.646 -0.665 14.151 1.00 0.00 C ATOM 1471 CD LYS A 113 12.221 -1.706 15.114 1.00 0.00 C ATOM 1472 CE LYS A 113 11.833 -3.123 14.685 1.00 0.00 C ATOM 1473 NZ LYS A 113 12.876 -4.091 15.091 1.00 0.00 N ATOM 0 H LYS A 113 11.323 1.643 12.876 1.00 0.00 H new ATOM 0 HA LYS A 113 13.797 0.881 13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.932 -0.594 12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.269 -1.316 12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.552 0.294 14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.643 -0.963 13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.307 -1.616 15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.855 -1.515 16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.879 -3.397 15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.697 -3.158 13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.597 -5.047 14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 13.779 -3.837 14.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.986 -4.069 16.125 1.00 0.00 H new ATOM 1487 N MET A 114 13.798 1.185 10.605 1.00 0.00 N ATOM 1488 CA MET A 114 14.668 1.345 9.454 1.00 0.00 C ATOM 1489 C MET A 114 15.345 2.717 9.464 1.00 0.00 C ATOM 1490 O MET A 114 16.327 2.935 8.756 1.00 0.00 O ATOM 1491 CB MET A 114 13.851 1.190 8.170 1.00 0.00 C ATOM 1492 CG MET A 114 12.866 2.349 8.003 1.00 0.00 C ATOM 1493 SD MET A 114 12.421 2.532 6.284 1.00 0.00 S ATOM 1494 CE MET A 114 13.409 3.955 5.858 1.00 0.00 C ATOM 0 H MET A 114 12.801 1.234 10.396 1.00 0.00 H new ATOM 0 HA MET A 114 15.441 0.578 9.499 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.521 1.151 7.311 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.307 0.246 8.193 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.973 2.167 8.601 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.313 3.272 8.371 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.250 4.208 4.810 1.00 0.00 H new ATOM 0 HE2 MET A 114 13.119 4.800 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.463 3.728 6.021 1.00 0.00 H new ATOM 1504 N MET A 115 14.795 3.607 10.277 1.00 0.00 N ATOM 1505 CA MET A 115 15.334 4.952 10.390 1.00 0.00 C ATOM 1506 C MET A 115 16.463 5.006 11.421 1.00 0.00 C ATOM 1507 O MET A 115 17.572 5.434 11.110 1.00 0.00 O ATOM 1508 CB MET A 115 14.219 5.915 10.803 1.00 0.00 C ATOM 1509 CG MET A 115 14.212 7.160 9.914 1.00 0.00 C ATOM 1510 SD MET A 115 14.421 8.625 10.914 1.00 0.00 S ATOM 1511 CE MET A 115 16.194 8.617 11.111 1.00 0.00 C ATOM 0 H MET A 115 13.981 3.423 10.864 1.00 0.00 H new ATOM 0 HA MET A 115 15.739 5.244 9.421 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.255 5.411 10.736 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.354 6.208 11.844 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.013 7.095 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.274 7.217 9.362 1.00 0.00 H new ATOM 0 HE1 MET A 115 16.442 8.552 12.170 1.00 0.00 H new ATOM 0 HE2 MET A 115 16.614 7.759 10.587 1.00 0.00 H new ATOM 0 HE3 MET A 115 16.610 9.535 10.696 1.00 0.00 H new ATOM 1521 N THR A 116 16.141 4.562 12.628 1.00 0.00 N ATOM 1522 CA THR A 116 17.116 4.555 13.706 1.00 0.00 C ATOM 1523 C THR A 116 16.906 3.333 14.604 1.00 0.00 C ATOM 1524 O THR A 116 15.944 3.277 15.368 1.00 0.00 O ATOM 1525 CB THR A 116 17.004 5.885 14.454 1.00 0.00 C ATOM 1526 OG1 THR A 116 18.000 5.797 15.468 1.00 0.00 O ATOM 1527 CG2 THR A 116 15.691 6.011 15.230 1.00 0.00 C ATOM 0 H THR A 116 15.220 4.205 12.883 1.00 0.00 H new ATOM 0 HA THR A 116 18.132 4.467 13.321 1.00 0.00 H new ATOM 0 HB THR A 116 17.087 6.709 13.745 1.00 0.00 H new ATOM 0 HG1 THR A 116 17.998 6.620 16.001 1.00 0.00 H new ATOM 0 HG21 THR A 116 15.662 6.973 15.743 1.00 0.00 H new ATOM 0 HG22 THR A 116 14.851 5.943 14.538 1.00 0.00 H new ATOM 0 HG23 THR A 116 15.623 5.207 15.963 1.00 0.00 H new ATOM 1535 N LYS A 117 17.823 2.386 14.482 1.00 0.00 N ATOM 1536 CA LYS A 117 17.753 1.169 15.273 1.00 0.00 C ATOM 1537 C LYS A 117 18.339 1.434 16.661 1.00 0.00 C ATOM 1538 O LYS A 117 17.657 1.263 17.670 1.00 0.00 O ATOM 1539 CB LYS A 117 18.423 0.010 14.533 1.00 0.00 C ATOM 1540 CG LYS A 117 17.590 -1.270 14.649 1.00 0.00 C ATOM 1541 CD LYS A 117 17.636 -2.074 13.348 1.00 0.00 C ATOM 1542 CE LYS A 117 17.511 -3.573 13.627 1.00 0.00 C ATOM 1543 NZ LYS A 117 18.792 -4.114 14.135 1.00 0.00 N ATOM 0 H LYS A 117 18.620 2.436 13.847 1.00 0.00 H new ATOM 0 HA LYS A 117 16.716 0.867 15.417 1.00 0.00 H new ATOM 0 HB2 LYS A 117 18.552 0.270 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 117 19.418 -0.161 14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 117 17.966 -1.879 15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 117 16.557 -1.016 14.887 1.00 0.00 H new ATOM 0 HD2 LYS A 117 16.828 -1.754 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 117 18.571 -1.874 12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 117 16.720 -3.748 14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 117 17.225 -4.096 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 18.745 -5.153 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.567 -3.817 13.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 18.965 -3.753 15.095 1.00 0.00 H new ATOM 1557 N ASP A 118 19.598 1.846 16.668 1.00 0.00 N ATOM 1558 CA ASP A 118 20.284 2.135 17.915 1.00 0.00 C ATOM 1559 C ASP A 118 19.911 1.076 18.956 1.00 0.00 C ATOM 1560 O ASP A 118 20.378 1.125 20.092 1.00 0.00 O ATOM 1561 CB ASP A 118 19.874 3.503 18.465 1.00 0.00 C ATOM 1562 CG ASP A 118 20.852 4.641 18.163 1.00 0.00 C ATOM 1563 OD1 ASP A 118 22.038 4.323 17.929 1.00 0.00 O ATOM 1564 OD2 ASP A 118 20.390 5.802 18.173 1.00 0.00 O ATOM 1565 OXT ASP A 118 19.029 0.046 18.605 1.00 0.00 O ATOM 0 H ASP A 118 20.161 1.987 15.829 1.00 0.00 H new ATOM 0 HA ASP A 118 21.356 2.131 17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 118 18.898 3.765 18.056 1.00 0.00 H new ATOM 0 HB3 ASP A 118 19.756 3.423 19.546 1.00 0.00 H new TER 1570 ASP A 118