USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 744 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 78 ASN : amide:sc= -2.45! K(o=-1.4!,f=0.86) USER MOD Set 1.2: A 82 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 25 TYR OH : rot 30:sc= 0.697 USER MOD Single : A 26 CYS SG : rot -108:sc= 1.32 USER MOD Single : A 28 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.064) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 34 TYR OH : rot 30:sc= 0.675 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 29:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.106 USER MOD Single : A 48 SER OG : rot 41:sc=0.000792 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 48:sc= 0.0116 USER MOD Single : A 57 SER OG : rot -84:sc= 1.37 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc=-0.00671 (180deg=-0.124) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 97:sc= 0.0368 USER MOD Single : A 80 ASN : amide:sc= -0.882 K(o=-0.88,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 86 THR OG1 : rot 102:sc= 1.06 USER MOD Single : A 90 HIS : no HE2:sc= -0.195 X(o=-0.2,f=-0.28) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.03) USER MOD Single : A 100 SER OG : rot 66:sc= 0.116 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -73:sc= 1.35 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.12 K(o=1.1,f=-0.2) USER MOD Single : A 114 THR OG1 : rot -72:sc= -0.142 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.966) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.649 5.518 5.402 1.00 0.00 N ATOM 76 CA TYR A 25 6.600 4.058 5.339 1.00 0.00 C ATOM 77 C TYR A 25 5.270 3.547 5.837 1.00 0.00 C ATOM 78 O TYR A 25 5.168 2.458 6.383 1.00 0.00 O ATOM 79 CB TYR A 25 7.790 3.406 6.083 1.00 0.00 C ATOM 80 CG TYR A 25 9.104 3.453 5.320 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.713 2.280 4.907 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.722 4.657 5.005 1.00 0.00 C ATOM 83 CE1 TYR A 25 10.900 2.295 4.209 1.00 0.00 C ATOM 84 CE2 TYR A 25 10.910 4.689 4.305 1.00 0.00 C ATOM 85 CZ TYR A 25 11.503 3.501 3.908 1.00 0.00 C ATOM 86 OH TYR A 25 12.697 3.522 3.209 1.00 0.00 O ATOM 0 HA TYR A 25 6.696 3.766 4.293 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.922 3.906 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.544 2.366 6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.247 1.333 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.264 5.585 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.358 1.368 3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.375 5.634 4.068 1.00 0.00 H new ATOM 0 HH TYR A 25 12.742 2.744 2.614 1.00 0.00 H new ATOM 96 N CYS A 26 4.239 4.299 5.540 1.00 0.00 N ATOM 97 CA CYS A 26 2.918 3.949 5.958 1.00 0.00 C ATOM 98 C CYS A 26 2.046 3.860 4.724 1.00 0.00 C ATOM 99 O CYS A 26 2.258 4.598 3.752 1.00 0.00 O ATOM 100 CB CYS A 26 2.366 5.045 6.886 1.00 0.00 C ATOM 101 SG CYS A 26 3.522 5.571 8.207 1.00 0.00 S ATOM 0 H CYS A 26 4.298 5.165 5.004 1.00 0.00 H new ATOM 0 HA CYS A 26 2.929 2.999 6.492 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.101 5.914 6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.446 4.685 7.347 1.00 0.00 H new ATOM 0 HG CYS A 26 3.098 5.132 9.355 1.00 0.00 H new ATOM 106 N LEU A 27 1.113 2.953 4.745 1.00 0.00 N ATOM 107 CA LEU A 27 0.168 2.794 3.672 1.00 0.00 C ATOM 108 C LEU A 27 -1.045 3.577 4.038 1.00 0.00 C ATOM 109 O LEU A 27 -1.593 3.399 5.137 1.00 0.00 O ATOM 110 CB LEU A 27 -0.190 1.319 3.492 1.00 0.00 C ATOM 111 CG LEU A 27 -1.156 0.951 2.374 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.658 1.413 1.027 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.353 -0.525 2.358 1.00 0.00 C ATOM 0 H LEU A 27 0.983 2.295 5.514 1.00 0.00 H new ATOM 0 HA LEU A 27 0.590 3.148 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.736 0.768 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.613 0.961 4.431 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.103 1.455 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.376 1.131 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.541 2.497 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.304 0.946 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.044 -0.791 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.396 -1.018 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.763 -0.848 3.315 1.00 0.00 H new ATOM 125 N GLN A 28 -1.445 4.462 3.181 1.00 0.00 N ATOM 126 CA GLN A 28 -2.567 5.283 3.472 1.00 0.00 C ATOM 127 C GLN A 28 -3.652 5.017 2.475 1.00 0.00 C ATOM 128 O GLN A 28 -3.444 5.110 1.249 1.00 0.00 O ATOM 129 CB GLN A 28 -2.128 6.728 3.415 1.00 0.00 C ATOM 130 CG GLN A 28 -1.030 7.040 4.424 1.00 0.00 C ATOM 131 CD GLN A 28 -0.360 8.381 4.199 1.00 0.00 C ATOM 132 OE1 GLN A 28 0.087 9.028 5.135 1.00 0.00 O ATOM 133 NE2 GLN A 28 -0.227 8.784 2.969 1.00 0.00 N ATOM 0 H GLN A 28 -1.008 4.631 2.275 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.956 5.064 4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.771 6.957 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.986 7.374 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.454 7.020 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.275 6.255 4.381 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.609 8.226 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.259 9.658 2.768 1.00 0.00 H new ATOM 142 N LEU A 29 -4.792 4.671 2.981 1.00 0.00 N ATOM 143 CA LEU A 29 -5.915 4.399 2.154 1.00 0.00 C ATOM 144 C LEU A 29 -6.938 5.490 2.312 1.00 0.00 C ATOM 145 O LEU A 29 -7.348 5.799 3.431 1.00 0.00 O ATOM 146 CB LEU A 29 -6.489 3.010 2.431 1.00 0.00 C ATOM 147 CG LEU A 29 -5.472 1.854 2.337 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.924 1.449 3.693 1.00 0.00 C ATOM 149 CD2 LEU A 29 -6.049 0.676 1.626 1.00 0.00 C ATOM 0 H LEU A 29 -4.967 4.570 3.981 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.596 4.389 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.928 3.007 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.298 2.820 1.726 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.633 2.230 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.213 0.632 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.421 2.301 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.743 1.123 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.306 -0.120 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.927 0.320 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.336 0.966 0.615 1.00 0.00 H new ATOM 161 N TYR A 30 -7.330 6.075 1.220 1.00 0.00 N ATOM 162 CA TYR A 30 -8.251 7.183 1.223 1.00 0.00 C ATOM 163 C TYR A 30 -9.669 6.722 1.004 1.00 0.00 C ATOM 164 O TYR A 30 -9.908 5.697 0.358 1.00 0.00 O ATOM 165 CB TYR A 30 -7.859 8.217 0.174 1.00 0.00 C ATOM 166 CG TYR A 30 -6.591 8.985 0.514 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.654 10.188 1.206 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.333 8.503 0.154 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.508 10.890 1.529 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.180 9.201 0.474 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.273 10.394 1.163 1.00 0.00 C ATOM 172 OH TYR A 30 -3.120 11.096 1.492 1.00 0.00 O ATOM 0 H TYR A 30 -7.019 5.797 0.289 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.199 7.650 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.723 7.715 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.679 8.924 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.616 10.582 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.256 7.569 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.579 11.824 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.214 8.814 0.186 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.336 10.610 1.162 1.00 0.00 H new ATOM 182 N ASP A 31 -10.606 7.484 1.527 1.00 0.00 N ATOM 183 CA ASP A 31 -12.034 7.149 1.443 1.00 0.00 C ATOM 184 C ASP A 31 -12.543 7.266 0.031 1.00 0.00 C ATOM 185 O ASP A 31 -13.209 6.367 -0.484 1.00 0.00 O ATOM 186 CB ASP A 31 -12.907 8.060 2.323 1.00 0.00 C ATOM 187 CG ASP A 31 -12.746 7.875 3.799 1.00 0.00 C ATOM 188 OD1 ASP A 31 -11.810 8.454 4.375 1.00 0.00 O ATOM 189 OD2 ASP A 31 -13.603 7.224 4.424 1.00 0.00 O ATOM 0 H ASP A 31 -10.412 8.354 2.024 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.110 6.121 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.681 9.098 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.953 7.892 2.065 1.00 0.00 H new ATOM 194 N GLU A 32 -12.217 8.350 -0.593 1.00 0.00 N ATOM 195 CA GLU A 32 -12.693 8.631 -1.909 1.00 0.00 C ATOM 196 C GLU A 32 -11.594 8.498 -2.909 1.00 0.00 C ATOM 197 O GLU A 32 -10.457 8.178 -2.544 1.00 0.00 O ATOM 198 CB GLU A 32 -13.355 9.993 -1.973 1.00 0.00 C ATOM 199 CG GLU A 32 -14.689 10.033 -1.269 1.00 0.00 C ATOM 200 CD GLU A 32 -15.401 11.338 -1.433 1.00 0.00 C ATOM 201 OE1 GLU A 32 -15.660 12.013 -0.419 1.00 0.00 O ATOM 202 OE2 GLU A 32 -15.744 11.696 -2.587 1.00 0.00 O ATOM 0 H GLU A 32 -11.609 9.070 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.455 7.894 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.692 10.734 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.492 10.276 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.320 9.231 -1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.538 9.839 -0.207 1.00 0.00 H new ATOM 209 N THR A 33 -11.915 8.700 -4.158 1.00 0.00 N ATOM 210 CA THR A 33 -10.988 8.534 -5.198 1.00 0.00 C ATOM 211 C THR A 33 -10.041 9.724 -5.256 1.00 0.00 C ATOM 212 O THR A 33 -10.298 10.752 -4.615 1.00 0.00 O ATOM 213 CB THR A 33 -11.771 8.360 -6.503 1.00 0.00 C ATOM 214 OG1 THR A 33 -12.912 9.253 -6.478 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.269 6.932 -6.638 1.00 0.00 C ATOM 0 H THR A 33 -12.844 8.988 -4.466 1.00 0.00 H new ATOM 0 HA THR A 33 -10.371 7.651 -5.031 1.00 0.00 H new ATOM 0 HB THR A 33 -11.118 8.588 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.641 10.139 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.823 6.827 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.419 6.249 -6.641 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.923 6.694 -5.799 1.00 0.00 H new ATOM 223 N TYR A 34 -8.954 9.567 -5.999 1.00 0.00 N ATOM 224 CA TYR A 34 -7.941 10.603 -6.227 1.00 0.00 C ATOM 225 C TYR A 34 -7.475 11.332 -4.958 1.00 0.00 C ATOM 226 O TYR A 34 -7.441 12.565 -4.908 1.00 0.00 O ATOM 227 CB TYR A 34 -8.300 11.554 -7.409 1.00 0.00 C ATOM 228 CG TYR A 34 -9.678 12.199 -7.362 1.00 0.00 C ATOM 229 CD1 TYR A 34 -10.805 11.493 -7.757 1.00 0.00 C ATOM 230 CD2 TYR A 34 -9.852 13.491 -6.931 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.050 12.053 -7.725 1.00 0.00 C ATOM 232 CE2 TYR A 34 -11.090 14.059 -6.902 1.00 0.00 C ATOM 233 CZ TYR A 34 -12.188 13.352 -7.299 1.00 0.00 C ATOM 234 OH TYR A 34 -13.435 13.957 -7.254 1.00 0.00 O ATOM 0 H TYR A 34 -8.741 8.691 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.053 10.059 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.553 12.346 -7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.218 10.991 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.695 10.474 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.995 14.065 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.915 11.482 -8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.204 15.078 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.122 13.279 -7.084 1.00 0.00 H new ATOM 244 N GLU A 35 -7.161 10.537 -3.922 1.00 0.00 N ATOM 245 CA GLU A 35 -6.613 11.017 -2.640 1.00 0.00 C ATOM 246 C GLU A 35 -7.620 11.895 -1.868 1.00 0.00 C ATOM 247 O GLU A 35 -7.241 12.652 -0.971 1.00 0.00 O ATOM 248 CB GLU A 35 -5.282 11.774 -2.869 1.00 0.00 C ATOM 249 CG GLU A 35 -4.183 10.934 -3.526 1.00 0.00 C ATOM 250 CD GLU A 35 -2.956 11.749 -3.866 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.008 11.801 -3.059 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.921 12.380 -4.943 1.00 0.00 O ATOM 0 H GLU A 35 -7.283 9.525 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.416 10.141 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.477 12.647 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.917 12.142 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.901 10.122 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.574 10.476 -4.435 1.00 0.00 H new ATOM 259 N ARG A 36 -8.892 11.741 -2.168 1.00 0.00 N ATOM 260 CA ARG A 36 -9.927 12.489 -1.485 1.00 0.00 C ATOM 261 C ARG A 36 -10.471 11.757 -0.265 1.00 0.00 C ATOM 262 O ARG A 36 -10.344 10.526 -0.135 1.00 0.00 O ATOM 263 CB ARG A 36 -11.049 12.905 -2.431 1.00 0.00 C ATOM 264 CG ARG A 36 -10.792 14.187 -3.165 1.00 0.00 C ATOM 265 CD ARG A 36 -12.026 14.617 -3.935 1.00 0.00 C ATOM 266 NE ARG A 36 -13.209 14.822 -3.091 1.00 0.00 N ATOM 267 CZ ARG A 36 -14.472 14.911 -3.559 1.00 0.00 C ATOM 268 NH1 ARG A 36 -14.726 14.712 -4.848 1.00 0.00 N ATOM 269 NH2 ARG A 36 -15.471 15.183 -2.737 1.00 0.00 N ATOM 0 H ARG A 36 -9.236 11.101 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.452 13.399 -1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.209 12.109 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.972 13.005 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.508 14.966 -2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.955 14.058 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.806 15.542 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.254 13.862 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.067 14.903 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.965 14.491 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.682 14.781 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.289 15.327 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.423 15.249 -3.096 1.00 0.00 H new ATOM 283 N GLY A 37 -11.092 12.513 0.615 1.00 0.00 N ATOM 284 CA GLY A 37 -11.595 11.968 1.841 1.00 0.00 C ATOM 285 C GLY A 37 -10.535 12.009 2.913 1.00 0.00 C ATOM 286 O GLY A 37 -9.686 12.919 2.927 1.00 0.00 O ATOM 0 H GLY A 37 -11.257 13.512 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.470 12.532 2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.920 10.940 1.682 1.00 0.00 H new ATOM 290 N SER A 38 -10.564 11.056 3.792 1.00 0.00 N ATOM 291 CA SER A 38 -9.582 10.945 4.823 1.00 0.00 C ATOM 292 C SER A 38 -8.764 9.710 4.530 1.00 0.00 C ATOM 293 O SER A 38 -8.984 9.051 3.500 1.00 0.00 O ATOM 294 CB SER A 38 -10.275 10.824 6.169 1.00 0.00 C ATOM 295 OG SER A 38 -11.201 11.886 6.333 1.00 0.00 O ATOM 0 H SER A 38 -11.277 10.327 3.813 1.00 0.00 H new ATOM 0 HA SER A 38 -8.937 11.823 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.791 9.866 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.537 10.846 6.971 1.00 0.00 H new ATOM 0 HG SER A 38 -11.646 11.801 7.202 1.00 0.00 H new ATOM 301 N TYR A 39 -7.849 9.378 5.383 1.00 0.00 N ATOM 302 CA TYR A 39 -7.034 8.229 5.161 1.00 0.00 C ATOM 303 C TYR A 39 -6.749 7.536 6.461 1.00 0.00 C ATOM 304 O TYR A 39 -6.940 8.110 7.533 1.00 0.00 O ATOM 305 CB TYR A 39 -5.726 8.601 4.434 1.00 0.00 C ATOM 306 CG TYR A 39 -4.818 9.534 5.202 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.108 10.882 5.314 1.00 0.00 C ATOM 308 CD2 TYR A 39 -3.670 9.062 5.805 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.284 11.728 6.005 1.00 0.00 C ATOM 310 CE2 TYR A 39 -2.835 9.899 6.499 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.145 11.232 6.601 1.00 0.00 C ATOM 312 OH TYR A 39 -2.305 12.080 7.290 1.00 0.00 O ATOM 0 H TYR A 39 -7.647 9.889 6.243 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.581 7.543 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.178 7.686 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.976 9.064 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.000 11.273 4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.425 8.013 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.525 12.778 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.939 9.512 6.962 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.549 11.571 7.650 1.00 0.00 H new ATOM 322 N ILE A 40 -6.322 6.330 6.366 1.00 0.00 N ATOM 323 CA ILE A 40 -5.962 5.550 7.511 1.00 0.00 C ATOM 324 C ILE A 40 -4.473 5.304 7.410 1.00 0.00 C ATOM 325 O ILE A 40 -3.921 5.318 6.299 1.00 0.00 O ATOM 326 CB ILE A 40 -6.727 4.181 7.516 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.445 3.383 8.805 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.341 3.359 6.286 1.00 0.00 C ATOM 329 CD1 ILE A 40 -7.225 2.085 8.925 1.00 0.00 C ATOM 0 H ILE A 40 -6.208 5.841 5.478 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.223 6.073 8.431 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.796 4.392 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.380 3.158 8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.676 4.012 9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.878 2.410 6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.602 3.911 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.268 3.169 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.965 1.590 9.860 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.293 2.300 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.977 1.433 8.088 1.00 0.00 H new ATOM 341 N GLU A 41 -3.821 5.128 8.513 1.00 0.00 N ATOM 342 CA GLU A 41 -2.427 4.848 8.492 1.00 0.00 C ATOM 343 C GLU A 41 -2.206 3.401 8.842 1.00 0.00 C ATOM 344 O GLU A 41 -2.685 2.905 9.876 1.00 0.00 O ATOM 345 CB GLU A 41 -1.700 5.743 9.484 1.00 0.00 C ATOM 346 CG GLU A 41 -1.683 7.208 9.109 1.00 0.00 C ATOM 347 CD GLU A 41 -1.201 8.080 10.235 1.00 0.00 C ATOM 348 OE1 GLU A 41 -1.949 8.982 10.660 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.089 7.872 10.759 1.00 0.00 O ATOM 0 H GLU A 41 -4.236 5.174 9.443 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.033 5.043 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.169 5.636 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.672 5.394 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.040 7.351 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.686 7.518 8.817 1.00 0.00 H new ATOM 356 N VAL A 42 -1.515 2.732 7.981 1.00 0.00 N ATOM 357 CA VAL A 42 -1.155 1.358 8.156 1.00 0.00 C ATOM 358 C VAL A 42 0.342 1.308 8.145 1.00 0.00 C ATOM 359 O VAL A 42 0.973 1.922 7.292 1.00 0.00 O ATOM 360 CB VAL A 42 -1.738 0.504 7.004 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.333 -0.958 7.099 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.244 0.628 6.972 1.00 0.00 C ATOM 0 H VAL A 42 -1.173 3.135 7.109 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.551 0.958 9.089 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.320 0.892 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.769 -1.511 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.247 -1.038 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.693 -1.375 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.642 0.023 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.658 0.280 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.520 1.671 6.817 1.00 0.00 H new ATOM 372 N TYR A 43 0.902 0.614 9.079 1.00 0.00 N ATOM 373 CA TYR A 43 2.333 0.590 9.236 1.00 0.00 C ATOM 374 C TYR A 43 2.846 -0.810 8.981 1.00 0.00 C ATOM 375 O TYR A 43 3.943 -1.008 8.452 1.00 0.00 O ATOM 376 CB TYR A 43 2.694 1.027 10.663 1.00 0.00 C ATOM 377 CG TYR A 43 1.993 2.299 11.117 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.505 3.553 10.826 1.00 0.00 C ATOM 379 CD2 TYR A 43 0.805 2.230 11.834 1.00 0.00 C ATOM 380 CE1 TYR A 43 1.848 4.703 11.238 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.148 3.366 12.247 1.00 0.00 C ATOM 382 CZ TYR A 43 0.670 4.600 11.951 1.00 0.00 C ATOM 383 OH TYR A 43 0.003 5.739 12.362 1.00 0.00 O ATOM 0 H TYR A 43 0.391 0.047 9.756 1.00 0.00 H new ATOM 0 HA TYR A 43 2.793 1.274 8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.444 0.221 11.353 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.772 1.177 10.724 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.428 3.636 10.271 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.388 1.263 12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.256 5.675 11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.775 3.287 12.802 1.00 0.00 H new ATOM 0 HH TYR A 43 0.185 6.469 11.734 1.00 0.00 H new ATOM 393 N LYS A 44 2.030 -1.780 9.312 1.00 0.00 N ATOM 394 CA LYS A 44 2.415 -3.156 9.191 1.00 0.00 C ATOM 395 C LYS A 44 1.383 -3.980 8.440 1.00 0.00 C ATOM 396 O LYS A 44 0.228 -3.571 8.300 1.00 0.00 O ATOM 397 CB LYS A 44 2.811 -3.764 10.565 1.00 0.00 C ATOM 398 CG LYS A 44 1.881 -3.477 11.734 1.00 0.00 C ATOM 399 CD LYS A 44 0.523 -4.100 11.605 1.00 0.00 C ATOM 400 CE LYS A 44 -0.292 -3.731 12.805 1.00 0.00 C ATOM 401 NZ LYS A 44 -1.682 -4.220 12.721 1.00 0.00 N ATOM 0 H LYS A 44 1.086 -1.635 9.671 1.00 0.00 H new ATOM 0 HA LYS A 44 3.314 -3.190 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.888 -4.845 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.805 -3.400 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.347 -3.836 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.765 -2.398 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.033 -3.753 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.611 -5.184 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.179 -4.140 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.299 -2.647 12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.202 -3.937 13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.144 -3.811 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.681 -5.257 12.643 1.00 0.00 H new ATOM 415 N SER A 45 1.805 -5.123 7.970 1.00 0.00 N ATOM 416 CA SER A 45 0.993 -6.007 7.179 1.00 0.00 C ATOM 417 C SER A 45 -0.145 -6.652 7.990 1.00 0.00 C ATOM 418 O SER A 45 -0.020 -6.887 9.200 1.00 0.00 O ATOM 419 CB SER A 45 1.923 -7.048 6.565 1.00 0.00 C ATOM 420 OG SER A 45 2.950 -7.404 7.495 1.00 0.00 O ATOM 0 H SER A 45 2.749 -5.474 8.131 1.00 0.00 H new ATOM 0 HA SER A 45 0.488 -5.442 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.354 -7.934 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.370 -6.654 5.652 1.00 0.00 H new ATOM 0 HG SER A 45 3.540 -8.074 7.090 1.00 0.00 H new ATOM 426 N VAL A 46 -1.255 -6.877 7.344 1.00 0.00 N ATOM 427 CA VAL A 46 -2.390 -7.496 7.961 1.00 0.00 C ATOM 428 C VAL A 46 -2.745 -8.756 7.184 1.00 0.00 C ATOM 429 O VAL A 46 -2.772 -8.741 5.945 1.00 0.00 O ATOM 430 CB VAL A 46 -3.610 -6.529 8.037 1.00 0.00 C ATOM 431 CG1 VAL A 46 -4.103 -6.138 6.664 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.725 -7.124 8.880 1.00 0.00 C ATOM 0 H VAL A 46 -1.397 -6.632 6.364 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.133 -7.755 8.988 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.273 -5.615 8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.954 -5.464 6.761 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.303 -5.637 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.408 -7.031 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.564 -6.429 8.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.052 -8.065 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.360 -7.305 9.891 1.00 0.00 H new ATOM 442 N GLY A 47 -3.017 -9.823 7.878 1.00 0.00 N ATOM 443 CA GLY A 47 -3.317 -11.051 7.208 1.00 0.00 C ATOM 444 C GLY A 47 -4.792 -11.252 6.983 1.00 0.00 C ATOM 445 O GLY A 47 -5.190 -12.048 6.130 1.00 0.00 O ATOM 0 H GLY A 47 -3.037 -9.867 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.802 -11.070 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.928 -11.883 7.794 1.00 0.00 H new ATOM 449 N SER A 48 -5.608 -10.527 7.710 1.00 0.00 N ATOM 450 CA SER A 48 -7.038 -10.668 7.594 1.00 0.00 C ATOM 451 C SER A 48 -7.788 -9.447 8.100 1.00 0.00 C ATOM 452 O SER A 48 -7.688 -9.071 9.269 1.00 0.00 O ATOM 453 CB SER A 48 -7.508 -11.951 8.295 1.00 0.00 C ATOM 454 OG SER A 48 -6.952 -12.071 9.613 1.00 0.00 O ATOM 0 H SER A 48 -5.304 -9.831 8.391 1.00 0.00 H new ATOM 0 HA SER A 48 -7.273 -10.748 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.596 -11.954 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.221 -12.817 7.699 1.00 0.00 H new ATOM 0 HG SER A 48 -6.964 -11.196 10.054 1.00 0.00 H new ATOM 460 N LEU A 49 -8.484 -8.812 7.204 1.00 0.00 N ATOM 461 CA LEU A 49 -9.313 -7.688 7.521 1.00 0.00 C ATOM 462 C LEU A 49 -10.754 -8.108 7.498 1.00 0.00 C ATOM 463 O LEU A 49 -11.261 -8.592 6.475 1.00 0.00 O ATOM 464 CB LEU A 49 -9.080 -6.617 6.465 1.00 0.00 C ATOM 465 CG LEU A 49 -7.692 -6.006 6.484 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.462 -5.164 5.259 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.524 -5.174 7.731 1.00 0.00 C ATOM 0 H LEU A 49 -8.491 -9.065 6.216 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.070 -7.304 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.259 -7.050 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.814 -5.823 6.602 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.955 -6.809 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.460 -4.736 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.561 -5.784 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.198 -4.361 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.526 -4.735 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.270 -4.379 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.654 -5.805 8.610 1.00 0.00 H new ATOM 479 N SER A 50 -11.384 -8.019 8.622 1.00 0.00 N ATOM 480 CA SER A 50 -12.785 -8.221 8.732 1.00 0.00 C ATOM 481 C SER A 50 -13.378 -7.091 9.584 1.00 0.00 C ATOM 482 O SER A 50 -13.017 -6.944 10.750 1.00 0.00 O ATOM 483 CB SER A 50 -13.083 -9.596 9.282 1.00 0.00 C ATOM 484 OG SER A 50 -12.443 -10.584 8.472 1.00 0.00 O ATOM 0 H SER A 50 -10.927 -7.799 9.507 1.00 0.00 H new ATOM 0 HA SER A 50 -13.255 -8.184 7.749 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.732 -9.671 10.311 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.159 -9.767 9.299 1.00 0.00 H new ATOM 0 HG SER A 50 -12.636 -11.476 8.830 1.00 0.00 H new ATOM 490 N PRO A 51 -14.218 -6.241 9.014 1.00 0.00 N ATOM 491 CA PRO A 51 -14.605 -6.317 7.608 1.00 0.00 C ATOM 492 C PRO A 51 -13.459 -5.842 6.695 1.00 0.00 C ATOM 493 O PRO A 51 -12.495 -5.213 7.177 1.00 0.00 O ATOM 494 CB PRO A 51 -15.793 -5.354 7.529 1.00 0.00 C ATOM 495 CG PRO A 51 -15.513 -4.344 8.577 1.00 0.00 C ATOM 496 CD PRO A 51 -14.859 -5.099 9.699 1.00 0.00 C ATOM 0 HA PRO A 51 -14.844 -7.329 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.868 -4.895 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.736 -5.869 7.714 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.859 -3.558 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.431 -3.861 8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.129 -4.484 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.588 -5.431 10.438 1.00 0.00 H new ATOM 504 N PRO A 52 -13.499 -6.180 5.402 1.00 0.00 N ATOM 505 CA PRO A 52 -12.485 -5.736 4.460 1.00 0.00 C ATOM 506 C PRO A 52 -12.533 -4.224 4.322 1.00 0.00 C ATOM 507 O PRO A 52 -13.579 -3.596 4.566 1.00 0.00 O ATOM 508 CB PRO A 52 -12.889 -6.404 3.138 1.00 0.00 C ATOM 509 CG PRO A 52 -14.337 -6.694 3.290 1.00 0.00 C ATOM 510 CD PRO A 52 -14.546 -6.986 4.747 1.00 0.00 C ATOM 0 HA PRO A 52 -11.473 -5.996 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.704 -5.746 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.318 -7.316 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.941 -5.845 2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.632 -7.544 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.544 -6.696 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.433 -8.048 4.966 1.00 0.00 H new ATOM 518 N TRP A 53 -11.448 -3.642 3.942 1.00 0.00 N ATOM 519 CA TRP A 53 -11.405 -2.221 3.797 1.00 0.00 C ATOM 520 C TRP A 53 -11.802 -1.868 2.412 1.00 0.00 C ATOM 521 O TRP A 53 -11.338 -2.487 1.461 1.00 0.00 O ATOM 522 CB TRP A 53 -10.015 -1.663 4.096 1.00 0.00 C ATOM 523 CG TRP A 53 -9.616 -1.752 5.544 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.445 -1.894 6.623 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.288 -1.682 6.073 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.713 -1.921 7.779 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.392 -1.785 7.473 1.00 0.00 C ATOM 528 CE3 TRP A 53 -7.024 -1.544 5.502 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.279 -1.750 8.306 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.924 -1.517 6.334 1.00 0.00 C ATOM 531 CH2 TRP A 53 -6.058 -1.618 7.720 1.00 0.00 C ATOM 0 H TRP A 53 -10.576 -4.125 3.725 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.096 -1.780 4.515 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.282 -2.201 3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.979 -0.619 3.784 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.521 -1.973 6.570 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -10.095 -2.026 8.719 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.908 -1.460 4.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.380 -1.825 9.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.938 -1.416 5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.174 -1.591 8.340 1.00 0.00 H new ATOM 542 N THR A 54 -12.665 -0.906 2.289 1.00 0.00 N ATOM 543 CA THR A 54 -13.121 -0.465 1.007 1.00 0.00 C ATOM 544 C THR A 54 -12.727 1.004 0.733 1.00 0.00 C ATOM 545 O THR A 54 -13.526 1.922 0.939 1.00 0.00 O ATOM 546 CB THR A 54 -14.656 -0.702 0.825 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.403 -0.195 1.962 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.952 -2.186 0.669 1.00 0.00 C ATOM 0 H THR A 54 -13.074 -0.404 3.077 1.00 0.00 H new ATOM 0 HA THR A 54 -12.614 -1.074 0.259 1.00 0.00 H new ATOM 0 HB THR A 54 -14.963 -0.167 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.096 0.710 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.025 -2.332 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.429 -2.571 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.615 -2.720 1.558 1.00 0.00 H new ATOM 556 N PRO A 55 -11.444 1.256 0.378 1.00 0.00 N ATOM 557 CA PRO A 55 -10.967 2.591 0.055 1.00 0.00 C ATOM 558 C PRO A 55 -11.317 3.023 -1.373 1.00 0.00 C ATOM 559 O PRO A 55 -11.587 2.190 -2.256 1.00 0.00 O ATOM 560 CB PRO A 55 -9.461 2.459 0.201 1.00 0.00 C ATOM 561 CG PRO A 55 -9.187 1.064 -0.203 1.00 0.00 C ATOM 562 CD PRO A 55 -10.340 0.268 0.320 1.00 0.00 C ATOM 0 HA PRO A 55 -11.422 3.346 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.934 3.170 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.140 2.649 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.108 0.977 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.244 0.712 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.583 -0.567 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.125 -0.152 1.303 1.00 0.00 H new ATOM 570 N GLY A 56 -11.328 4.315 -1.591 1.00 0.00 N ATOM 571 CA GLY A 56 -11.586 4.852 -2.899 1.00 0.00 C ATOM 572 C GLY A 56 -10.302 4.996 -3.673 1.00 0.00 C ATOM 573 O GLY A 56 -10.282 4.876 -4.900 1.00 0.00 O ATOM 0 H GLY A 56 -11.159 5.017 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.271 4.198 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.075 5.822 -2.810 1.00 0.00 H new ATOM 577 N SER A 57 -9.223 5.218 -2.959 1.00 0.00 N ATOM 578 CA SER A 57 -7.931 5.354 -3.550 1.00 0.00 C ATOM 579 C SER A 57 -6.879 4.991 -2.520 1.00 0.00 C ATOM 580 O SER A 57 -7.133 5.060 -1.319 1.00 0.00 O ATOM 581 CB SER A 57 -7.721 6.776 -4.117 1.00 0.00 C ATOM 582 OG SER A 57 -7.914 7.783 -3.144 1.00 0.00 O ATOM 0 H SER A 57 -9.227 5.309 -1.943 1.00 0.00 H new ATOM 0 HA SER A 57 -7.843 4.672 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.712 6.856 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.411 6.939 -4.945 1.00 0.00 H new ATOM 0 HG SER A 57 -8.868 7.997 -3.080 1.00 0.00 H new ATOM 588 N VAL A 58 -5.738 4.565 -2.973 1.00 0.00 N ATOM 589 CA VAL A 58 -4.660 4.178 -2.091 1.00 0.00 C ATOM 590 C VAL A 58 -3.426 4.904 -2.549 1.00 0.00 C ATOM 591 O VAL A 58 -3.256 5.100 -3.753 1.00 0.00 O ATOM 592 CB VAL A 58 -4.381 2.646 -2.176 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.305 2.225 -1.196 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.647 1.832 -1.967 1.00 0.00 C ATOM 0 H VAL A 58 -5.521 4.473 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.929 4.424 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.018 2.443 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.135 1.152 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.381 2.758 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.624 2.462 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.412 0.770 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.062 2.051 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.377 2.091 -2.734 1.00 0.00 H new ATOM 604 N CYS A 59 -2.590 5.330 -1.646 1.00 0.00 N ATOM 605 CA CYS A 59 -1.372 5.958 -2.047 1.00 0.00 C ATOM 606 C CYS A 59 -0.258 5.629 -1.082 1.00 0.00 C ATOM 607 O CYS A 59 -0.499 5.356 0.109 1.00 0.00 O ATOM 608 CB CYS A 59 -1.526 7.478 -2.207 1.00 0.00 C ATOM 609 SG CYS A 59 -0.044 8.271 -2.933 1.00 0.00 S ATOM 0 H CYS A 59 -2.730 5.254 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.113 5.559 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.390 7.686 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.729 7.922 -1.233 1.00 0.00 H new ATOM 614 N VAL A 60 0.939 5.597 -1.610 1.00 0.00 N ATOM 615 CA VAL A 60 2.135 5.397 -0.841 1.00 0.00 C ATOM 616 C VAL A 60 2.962 6.664 -0.984 1.00 0.00 C ATOM 617 O VAL A 60 3.249 7.084 -2.108 1.00 0.00 O ATOM 618 CB VAL A 60 2.955 4.181 -1.355 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.220 3.975 -0.525 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.108 2.925 -1.338 1.00 0.00 C ATOM 0 H VAL A 60 1.110 5.712 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 60 1.877 5.191 0.198 1.00 0.00 H new ATOM 0 HB VAL A 60 3.254 4.391 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.772 3.117 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.845 4.866 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.948 3.795 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.698 2.083 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.777 2.723 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.239 3.063 -1.981 1.00 0.00 H new ATOM 630 N PRO A 61 3.323 7.305 0.130 1.00 0.00 N ATOM 631 CA PRO A 61 4.082 8.562 0.114 1.00 0.00 C ATOM 632 C PRO A 61 5.444 8.408 -0.556 1.00 0.00 C ATOM 633 O PRO A 61 6.065 7.322 -0.518 1.00 0.00 O ATOM 634 CB PRO A 61 4.249 8.900 1.595 1.00 0.00 C ATOM 635 CG PRO A 61 4.036 7.611 2.303 1.00 0.00 C ATOM 636 CD PRO A 61 3.036 6.857 1.495 1.00 0.00 C ATOM 0 HA PRO A 61 3.571 9.338 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.240 9.305 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.526 9.651 1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.969 7.054 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.672 7.778 3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.159 5.779 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.014 7.093 1.792 1.00 0.00 H new ATOM 644 N PHE A 62 5.905 9.471 -1.174 1.00 0.00 N ATOM 645 CA PHE A 62 7.151 9.433 -1.883 1.00 0.00 C ATOM 646 C PHE A 62 8.320 9.470 -0.928 1.00 0.00 C ATOM 647 O PHE A 62 8.578 10.468 -0.257 1.00 0.00 O ATOM 648 CB PHE A 62 7.257 10.553 -2.919 1.00 0.00 C ATOM 649 CG PHE A 62 8.520 10.482 -3.744 1.00 0.00 C ATOM 650 CD1 PHE A 62 8.668 9.511 -4.723 1.00 0.00 C ATOM 651 CD2 PHE A 62 9.550 11.382 -3.547 1.00 0.00 C ATOM 652 CE1 PHE A 62 9.811 9.441 -5.485 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.698 11.312 -4.309 1.00 0.00 C ATOM 654 CZ PHE A 62 10.827 10.341 -5.278 1.00 0.00 C ATOM 0 H PHE A 62 5.429 10.373 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 62 7.182 8.488 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.394 10.508 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.217 11.516 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.873 8.799 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.456 12.147 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.909 8.680 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.497 12.020 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.726 10.288 -5.874 1.00 0.00 H new ATOM 664 N VAL A 63 8.987 8.370 -0.849 1.00 0.00 N ATOM 665 CA VAL A 63 10.142 8.235 -0.036 1.00 0.00 C ATOM 666 C VAL A 63 11.370 8.499 -0.885 1.00 0.00 C ATOM 667 O VAL A 63 11.627 7.790 -1.856 1.00 0.00 O ATOM 668 CB VAL A 63 10.218 6.818 0.590 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.453 6.661 1.454 1.00 0.00 C ATOM 670 CG2 VAL A 63 8.958 6.525 1.398 1.00 0.00 C ATOM 0 H VAL A 63 8.738 7.523 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 63 10.092 8.956 0.780 1.00 0.00 H new ATOM 0 HB VAL A 63 10.288 6.096 -0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.476 5.657 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.344 6.819 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.429 7.394 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.027 5.527 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.858 7.260 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.087 6.578 0.745 1.00 0.00 H new ATOM 680 N ASN A 64 12.080 9.536 -0.545 1.00 0.00 N ATOM 681 CA ASN A 64 13.309 9.908 -1.227 1.00 0.00 C ATOM 682 C ASN A 64 14.450 9.871 -0.225 1.00 0.00 C ATOM 683 O ASN A 64 15.486 10.513 -0.384 1.00 0.00 O ATOM 684 CB ASN A 64 13.173 11.292 -1.905 1.00 0.00 C ATOM 685 CG ASN A 64 12.796 12.426 -0.970 1.00 0.00 C ATOM 686 OD1 ASN A 64 11.613 12.697 -0.740 1.00 0.00 O ATOM 687 ND2 ASN A 64 13.766 13.123 -0.478 1.00 0.00 N ATOM 0 H ASN A 64 11.828 10.161 0.221 1.00 0.00 H new ATOM 0 HA ASN A 64 13.520 9.197 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.118 11.538 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.421 11.223 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.566 13.924 0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.732 12.872 -0.688 1.00 0.00 H new ATOM 694 N ASP A 65 14.223 9.068 0.797 1.00 0.00 N ATOM 695 CA ASP A 65 15.152 8.804 1.896 1.00 0.00 C ATOM 696 C ASP A 65 16.359 8.042 1.438 1.00 0.00 C ATOM 697 O ASP A 65 16.283 7.237 0.499 1.00 0.00 O ATOM 698 CB ASP A 65 14.480 8.053 3.054 1.00 0.00 C ATOM 699 CG ASP A 65 13.468 8.891 3.787 1.00 0.00 C ATOM 700 OD1 ASP A 65 13.714 9.270 4.957 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.422 9.207 3.212 1.00 0.00 O ATOM 0 H ASP A 65 13.347 8.555 0.895 1.00 0.00 H new ATOM 0 HA ASP A 65 15.472 9.781 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.991 7.159 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.244 7.719 3.756 1.00 0.00 H new ATOM 706 N THR A 66 17.479 8.334 2.071 1.00 0.00 N ATOM 707 CA THR A 66 18.782 7.726 1.801 1.00 0.00 C ATOM 708 C THR A 66 18.774 6.166 1.982 1.00 0.00 C ATOM 709 O THR A 66 19.751 5.490 1.660 1.00 0.00 O ATOM 710 CB THR A 66 19.795 8.351 2.778 1.00 0.00 C ATOM 711 OG1 THR A 66 19.561 9.770 2.807 1.00 0.00 O ATOM 712 CG2 THR A 66 21.234 8.115 2.324 1.00 0.00 C ATOM 0 H THR A 66 17.515 9.028 2.818 1.00 0.00 H new ATOM 0 HA THR A 66 19.047 7.917 0.761 1.00 0.00 H new ATOM 0 HB THR A 66 19.664 7.893 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.193 10.193 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.920 8.570 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.427 7.044 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.384 8.562 1.341 1.00 0.00 H new ATOM 720 N LYS A 67 17.682 5.622 2.514 1.00 0.00 N ATOM 721 CA LYS A 67 17.526 4.182 2.679 1.00 0.00 C ATOM 722 C LYS A 67 17.543 3.520 1.313 1.00 0.00 C ATOM 723 O LYS A 67 16.924 4.028 0.380 1.00 0.00 O ATOM 724 CB LYS A 67 16.214 3.863 3.393 1.00 0.00 C ATOM 725 CG LYS A 67 16.110 4.404 4.814 1.00 0.00 C ATOM 726 CD LYS A 67 17.195 3.825 5.707 1.00 0.00 C ATOM 727 CE LYS A 67 16.985 4.198 7.161 1.00 0.00 C ATOM 728 NZ LYS A 67 15.803 3.521 7.755 1.00 0.00 N ATOM 0 H LYS A 67 16.884 6.166 2.841 1.00 0.00 H new ATOM 0 HA LYS A 67 18.348 3.801 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.390 4.266 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.086 2.781 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.191 5.491 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.130 4.163 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.206 2.740 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.169 4.186 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.875 3.936 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.860 5.278 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.816 3.642 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.933 3.939 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.832 2.507 7.525 1.00 0.00 H new ATOM 742 N ARG A 68 18.224 2.387 1.208 1.00 0.00 N ATOM 743 CA ARG A 68 18.430 1.722 -0.070 1.00 0.00 C ATOM 744 C ARG A 68 17.134 1.143 -0.612 1.00 0.00 C ATOM 745 O ARG A 68 16.963 0.991 -1.827 1.00 0.00 O ATOM 746 CB ARG A 68 19.441 0.589 0.084 1.00 0.00 C ATOM 747 CG ARG A 68 18.957 -0.502 0.996 1.00 0.00 C ATOM 748 CD ARG A 68 19.807 -1.709 0.927 1.00 0.00 C ATOM 749 NE ARG A 68 19.144 -2.837 1.603 1.00 0.00 N ATOM 750 CZ ARG A 68 19.485 -4.131 1.478 1.00 0.00 C ATOM 751 NH1 ARG A 68 20.564 -4.480 0.777 1.00 0.00 N ATOM 752 NH2 ARG A 68 18.744 -5.068 2.067 1.00 0.00 N ATOM 0 H ARG A 68 18.647 1.906 2.002 1.00 0.00 H new ATOM 0 HA ARG A 68 18.803 2.471 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.659 0.167 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.376 0.993 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.937 -0.133 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.933 -0.766 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.004 -1.965 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.771 -1.511 1.395 1.00 0.00 H new ATOM 0 HE ARG A 68 18.360 -2.618 2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.137 -3.763 0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.817 -5.464 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.922 -4.802 2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.998 -6.052 1.975 1.00 0.00 H new ATOM 766 N GLU A 69 16.250 0.777 0.285 1.00 0.00 N ATOM 767 CA GLU A 69 15.006 0.225 -0.087 1.00 0.00 C ATOM 768 C GLU A 69 13.863 1.154 0.247 1.00 0.00 C ATOM 769 O GLU A 69 13.815 1.767 1.329 1.00 0.00 O ATOM 770 CB GLU A 69 14.791 -1.190 0.484 1.00 0.00 C ATOM 771 CG GLU A 69 14.722 -1.303 2.007 1.00 0.00 C ATOM 772 CD GLU A 69 16.048 -1.104 2.684 1.00 0.00 C ATOM 773 OE1 GLU A 69 16.386 0.047 3.034 1.00 0.00 O ATOM 774 OE2 GLU A 69 16.787 -2.105 2.875 1.00 0.00 O ATOM 0 H GLU A 69 16.391 0.861 1.292 1.00 0.00 H new ATOM 0 HA GLU A 69 15.025 0.113 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.865 -1.589 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.600 -1.828 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.015 -0.565 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.331 -2.285 2.273 1.00 0.00 H new ATOM 781 N ARG A 70 12.974 1.285 -0.672 1.00 0.00 N ATOM 782 CA ARG A 70 11.797 2.066 -0.482 1.00 0.00 C ATOM 783 C ARG A 70 10.608 1.147 -0.299 1.00 0.00 C ATOM 784 O ARG A 70 10.590 0.053 -0.845 1.00 0.00 O ATOM 785 CB ARG A 70 11.584 3.076 -1.617 1.00 0.00 C ATOM 786 CG ARG A 70 12.318 4.409 -1.416 1.00 0.00 C ATOM 787 CD ARG A 70 13.834 4.290 -1.428 1.00 0.00 C ATOM 788 NE ARG A 70 14.387 4.141 -2.787 1.00 0.00 N ATOM 789 CZ ARG A 70 15.661 4.418 -3.120 1.00 0.00 C ATOM 790 NH1 ARG A 70 16.581 4.617 -2.184 1.00 0.00 N ATOM 791 NH2 ARG A 70 16.022 4.442 -4.386 1.00 0.00 N ATOM 0 H ARG A 70 13.042 0.848 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 70 11.915 2.663 0.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.916 2.629 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.517 3.273 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.012 5.102 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.006 4.844 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.267 5.174 -0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.131 3.432 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 70 13.764 3.806 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.326 4.561 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.543 4.826 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.336 4.250 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.988 4.652 -4.637 1.00 0.00 H new ATOM 805 N PRO A 71 9.616 1.557 0.482 1.00 0.00 N ATOM 806 CA PRO A 71 8.480 0.702 0.800 1.00 0.00 C ATOM 807 C PRO A 71 7.540 0.493 -0.389 1.00 0.00 C ATOM 808 O PRO A 71 7.245 1.426 -1.146 1.00 0.00 O ATOM 809 CB PRO A 71 7.794 1.445 1.944 1.00 0.00 C ATOM 810 CG PRO A 71 8.124 2.878 1.716 1.00 0.00 C ATOM 811 CD PRO A 71 9.495 2.889 1.095 1.00 0.00 C ATOM 0 HA PRO A 71 8.787 -0.310 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.717 1.280 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.159 1.104 2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.393 3.348 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.114 3.435 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.591 3.681 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.271 3.057 1.842 1.00 0.00 H new ATOM 819 N TYR A 72 7.101 -0.730 -0.545 1.00 0.00 N ATOM 820 CA TYR A 72 6.235 -1.122 -1.619 1.00 0.00 C ATOM 821 C TYR A 72 5.092 -1.910 -0.987 1.00 0.00 C ATOM 822 O TYR A 72 5.320 -2.893 -0.291 1.00 0.00 O ATOM 823 CB TYR A 72 7.029 -2.000 -2.592 1.00 0.00 C ATOM 824 CG TYR A 72 6.438 -2.123 -3.976 1.00 0.00 C ATOM 825 CD1 TYR A 72 6.873 -1.296 -4.999 1.00 0.00 C ATOM 826 CD2 TYR A 72 5.463 -3.060 -4.265 1.00 0.00 C ATOM 827 CE1 TYR A 72 6.357 -1.400 -6.270 1.00 0.00 C ATOM 828 CE2 TYR A 72 4.938 -3.170 -5.535 1.00 0.00 C ATOM 829 CZ TYR A 72 5.390 -2.335 -6.536 1.00 0.00 C ATOM 830 OH TYR A 72 4.881 -2.444 -7.809 1.00 0.00 O ATOM 0 H TYR A 72 7.343 -1.494 0.086 1.00 0.00 H new ATOM 0 HA TYR A 72 5.845 -0.267 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.038 -1.597 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.121 -2.998 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.632 -0.555 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.107 -3.716 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.712 -0.748 -7.055 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.176 -3.906 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 72 4.206 -3.154 -7.832 1.00 0.00 H new ATOM 840 N TRP A 73 3.901 -1.491 -1.204 1.00 0.00 N ATOM 841 CA TRP A 73 2.777 -2.075 -0.532 1.00 0.00 C ATOM 842 C TRP A 73 1.930 -2.907 -1.465 1.00 0.00 C ATOM 843 O TRP A 73 1.659 -2.508 -2.597 1.00 0.00 O ATOM 844 CB TRP A 73 1.955 -0.980 0.130 1.00 0.00 C ATOM 845 CG TRP A 73 2.655 -0.308 1.284 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.553 0.720 1.236 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.480 -0.618 2.657 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.934 1.067 2.510 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.282 0.262 3.399 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.709 -1.552 3.327 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.328 0.229 4.790 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.744 -1.589 4.697 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.546 -0.702 5.421 1.00 0.00 C ATOM 0 H TRP A 73 3.667 -0.736 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 73 3.151 -2.754 0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.701 -0.228 -0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.017 -1.407 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.910 1.190 0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.595 1.805 2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.087 -2.243 2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.954 0.909 5.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.143 -2.314 5.225 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.549 -0.752 6.500 1.00 0.00 H new ATOM 864 N TYR A 74 1.543 -4.061 -0.999 1.00 0.00 N ATOM 865 CA TYR A 74 0.691 -4.953 -1.736 1.00 0.00 C ATOM 866 C TYR A 74 -0.642 -5.095 -1.053 1.00 0.00 C ATOM 867 O TYR A 74 -0.712 -5.199 0.172 1.00 0.00 O ATOM 868 CB TYR A 74 1.342 -6.316 -1.921 1.00 0.00 C ATOM 869 CG TYR A 74 2.369 -6.365 -3.022 1.00 0.00 C ATOM 870 CD1 TYR A 74 1.977 -6.426 -4.353 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.718 -6.367 -2.745 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.895 -6.489 -5.368 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.652 -6.427 -3.755 1.00 0.00 C ATOM 874 CZ TYR A 74 4.236 -6.490 -5.065 1.00 0.00 C ATOM 875 OH TYR A 74 5.166 -6.556 -6.072 1.00 0.00 O ATOM 0 H TYR A 74 1.815 -4.415 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 74 0.533 -4.521 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.815 -6.610 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.566 -7.052 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.924 -6.424 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.049 -6.321 -1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.568 -6.537 -6.396 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.706 -6.425 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 74 5.480 -5.653 -6.287 1.00 0.00 H new ATOM 885 N LEU A 75 -1.680 -5.169 -1.840 1.00 0.00 N ATOM 886 CA LEU A 75 -3.035 -5.223 -1.336 1.00 0.00 C ATOM 887 C LEU A 75 -3.670 -6.446 -1.932 1.00 0.00 C ATOM 888 O LEU A 75 -3.386 -6.783 -3.090 1.00 0.00 O ATOM 889 CB LEU A 75 -3.815 -3.994 -1.839 1.00 0.00 C ATOM 890 CG LEU A 75 -3.105 -2.637 -1.731 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.962 -1.536 -2.304 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.741 -2.319 -0.303 1.00 0.00 C ATOM 0 H LEU A 75 -1.614 -5.194 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.042 -5.244 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.075 -4.160 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.751 -3.934 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.184 -2.704 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.438 -0.584 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.165 -1.743 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.903 -1.484 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.240 -1.352 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.646 -2.285 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.074 -3.090 0.083 1.00 0.00 H new ATOM 904 N PHE A 76 -4.492 -7.123 -1.159 1.00 0.00 N ATOM 905 CA PHE A 76 -5.096 -8.365 -1.592 1.00 0.00 C ATOM 906 C PHE A 76 -6.576 -8.366 -1.338 1.00 0.00 C ATOM 907 O PHE A 76 -7.049 -7.896 -0.291 1.00 0.00 O ATOM 908 CB PHE A 76 -4.453 -9.548 -0.877 1.00 0.00 C ATOM 909 CG PHE A 76 -2.985 -9.647 -1.107 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.489 -10.378 -2.162 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.098 -8.987 -0.274 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.144 -10.446 -2.383 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.752 -9.056 -0.494 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.274 -9.785 -1.551 1.00 0.00 C ATOM 0 H PHE A 76 -4.759 -6.831 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.928 -8.458 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.641 -9.463 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.929 -10.469 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.168 -10.901 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.474 -8.411 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.763 -11.021 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.068 -8.538 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.790 -9.840 -1.730 1.00 0.00 H new ATOM 924 N ASP A 77 -7.299 -8.896 -2.285 1.00 0.00 N ATOM 925 CA ASP A 77 -8.755 -8.976 -2.226 1.00 0.00 C ATOM 926 C ASP A 77 -9.226 -10.156 -1.382 1.00 0.00 C ATOM 927 O ASP A 77 -10.394 -10.226 -1.003 1.00 0.00 O ATOM 928 CB ASP A 77 -9.354 -8.999 -3.649 1.00 0.00 C ATOM 929 CG ASP A 77 -9.920 -10.315 -4.104 1.00 0.00 C ATOM 930 OD1 ASP A 77 -9.157 -11.148 -4.610 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.155 -10.487 -4.061 1.00 0.00 O ATOM 0 H ASP A 77 -6.901 -9.293 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.123 -8.080 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.143 -8.249 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.579 -8.696 -4.353 1.00 0.00 H new ATOM 936 N ASN A 78 -8.330 -11.057 -1.058 1.00 0.00 N ATOM 937 CA ASN A 78 -8.667 -12.146 -0.175 1.00 0.00 C ATOM 938 C ASN A 78 -7.693 -12.103 0.989 1.00 0.00 C ATOM 939 O ASN A 78 -6.711 -11.364 0.933 1.00 0.00 O ATOM 940 CB ASN A 78 -8.633 -13.520 -0.875 1.00 0.00 C ATOM 941 CG ASN A 78 -9.369 -14.582 -0.065 1.00 0.00 C ATOM 942 OD1 ASN A 78 -8.998 -15.749 -0.045 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.448 -14.192 0.568 1.00 0.00 N ATOM 0 H ASN A 78 -7.366 -11.058 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.694 -12.023 0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.086 -13.437 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.598 -13.828 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.002 -14.867 1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.734 -13.213 0.534 1.00 0.00 H new ATOM 950 N VAL A 79 -7.976 -12.815 2.059 1.00 0.00 N ATOM 951 CA VAL A 79 -7.117 -12.800 3.228 1.00 0.00 C ATOM 952 C VAL A 79 -5.874 -13.660 3.000 1.00 0.00 C ATOM 953 O VAL A 79 -5.802 -14.402 2.026 1.00 0.00 O ATOM 954 CB VAL A 79 -7.852 -13.291 4.503 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.069 -12.425 4.798 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.246 -14.757 4.376 1.00 0.00 C ATOM 0 H VAL A 79 -8.797 -13.414 2.145 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.822 -11.762 3.383 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.163 -13.200 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.566 -12.790 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.753 -11.393 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.760 -12.470 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.759 -15.076 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.909 -14.883 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.351 -15.363 4.234 1.00 0.00 H new ATOM 966 N ASN A 80 -4.900 -13.519 3.888 1.00 0.00 N ATOM 967 CA ASN A 80 -3.648 -14.310 3.866 1.00 0.00 C ATOM 968 C ASN A 80 -2.869 -14.099 2.588 1.00 0.00 C ATOM 969 O ASN A 80 -2.132 -14.979 2.131 1.00 0.00 O ATOM 970 CB ASN A 80 -3.915 -15.808 4.114 1.00 0.00 C ATOM 971 CG ASN A 80 -4.170 -16.164 5.578 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.876 -17.279 6.005 1.00 0.00 O ATOM 973 ND2 ASN A 80 -4.706 -15.248 6.358 1.00 0.00 N ATOM 0 H ASN A 80 -4.944 -12.850 4.657 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.031 -13.945 4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.777 -16.115 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.061 -16.382 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.886 -15.456 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.941 -14.330 5.980 1.00 0.00 H new ATOM 980 N TYR A 81 -3.007 -12.894 2.045 1.00 0.00 N ATOM 981 CA TYR A 81 -2.283 -12.432 0.875 1.00 0.00 C ATOM 982 C TYR A 81 -2.617 -13.294 -0.347 1.00 0.00 C ATOM 983 O TYR A 81 -1.735 -13.609 -1.165 1.00 0.00 O ATOM 984 CB TYR A 81 -0.747 -12.414 1.141 1.00 0.00 C ATOM 985 CG TYR A 81 -0.338 -11.811 2.485 1.00 0.00 C ATOM 986 CD1 TYR A 81 -0.967 -10.684 2.990 1.00 0.00 C ATOM 987 CD2 TYR A 81 0.671 -12.391 3.251 1.00 0.00 C ATOM 988 CE1 TYR A 81 -0.617 -10.163 4.212 1.00 0.00 C ATOM 989 CE2 TYR A 81 1.035 -11.862 4.473 1.00 0.00 C ATOM 990 CZ TYR A 81 0.382 -10.750 4.953 1.00 0.00 C ATOM 991 OH TYR A 81 0.708 -10.232 6.197 1.00 0.00 O ATOM 0 H TYR A 81 -3.646 -12.194 2.421 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.599 -11.410 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.371 -13.436 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.261 -11.853 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.746 -10.207 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.178 -13.271 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.128 -9.290 4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.827 -12.318 5.048 1.00 0.00 H new ATOM 0 HH TYR A 81 1.433 -10.761 6.592 1.00 0.00 H new ATOM 1001 N THR A 82 -3.879 -13.654 -0.485 1.00 0.00 N ATOM 1002 CA THR A 82 -4.308 -14.457 -1.607 1.00 0.00 C ATOM 1003 C THR A 82 -5.321 -13.686 -2.469 1.00 0.00 C ATOM 1004 O THR A 82 -5.722 -12.556 -2.117 1.00 0.00 O ATOM 1005 CB THR A 82 -4.927 -15.802 -1.139 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.059 -15.566 -0.305 1.00 0.00 O ATOM 1007 CG2 THR A 82 -3.922 -16.634 -0.369 1.00 0.00 C ATOM 0 H THR A 82 -4.622 -13.402 0.167 1.00 0.00 H new ATOM 0 HA THR A 82 -3.425 -14.679 -2.207 1.00 0.00 H new ATOM 0 HB THR A 82 -5.230 -16.347 -2.033 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.758 -15.352 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.387 -17.569 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.065 -16.851 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.590 -16.082 0.510 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.731 -14.286 -3.577 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.701 -13.670 -4.444 1.00 0.00 C ATOM 1017 C GLY A 83 -6.044 -12.737 -5.419 1.00 0.00 C ATOM 1018 O GLY A 83 -5.037 -13.090 -6.048 1.00 0.00 O ATOM 0 H GLY A 83 -5.401 -15.199 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.248 -14.441 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.430 -13.122 -3.847 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.606 -11.574 -5.563 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.051 -10.543 -6.415 1.00 0.00 C ATOM 1024 C ARG A 84 -5.002 -9.760 -5.676 1.00 0.00 C ATOM 1025 O ARG A 84 -5.120 -9.554 -4.467 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.135 -9.619 -6.878 1.00 0.00 C ATOM 1027 CG ARG A 84 -7.991 -10.172 -7.970 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.212 -9.327 -8.142 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.250 -9.653 -7.178 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.532 -9.305 -7.295 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -11.954 -8.677 -8.387 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.386 -9.591 -6.322 1.00 0.00 N ATOM 0 H ARG A 84 -7.470 -11.303 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.592 -11.021 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.769 -9.367 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.681 -8.690 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.428 -10.206 -8.903 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.278 -11.197 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.941 -8.276 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.603 -9.458 -9.151 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.978 -10.187 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.297 -8.461 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.935 -8.411 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.062 -10.077 -5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.367 -9.325 -6.410 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.009 -9.296 -6.400 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.904 -8.588 -5.809 1.00 0.00 C ATOM 1048 C ILE A 85 -2.740 -7.219 -6.474 1.00 0.00 C ATOM 1049 O ILE A 85 -2.976 -7.063 -7.666 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.576 -9.423 -5.925 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.433 -8.768 -5.162 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.161 -9.595 -7.383 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.847 -9.589 -5.166 1.00 0.00 C ATOM 0 H ILE A 85 -3.947 -9.400 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.116 -8.440 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.782 -10.400 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.229 -7.790 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.744 -8.599 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.240 -10.176 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.949 -10.116 -7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.997 -8.616 -7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.619 -9.063 -4.604 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.659 -10.558 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.182 -9.736 -6.193 1.00 0.00 H new ATOM 1065 N THR A 86 -2.465 -6.234 -5.696 1.00 0.00 N ATOM 1066 CA THR A 86 -2.182 -4.914 -6.208 1.00 0.00 C ATOM 1067 C THR A 86 -0.917 -4.361 -5.558 1.00 0.00 C ATOM 1068 O THR A 86 -0.809 -4.362 -4.340 1.00 0.00 O ATOM 1069 CB THR A 86 -3.402 -3.985 -6.022 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.492 -4.502 -6.803 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.107 -2.564 -6.459 1.00 0.00 C ATOM 0 H THR A 86 -2.426 -6.307 -4.679 1.00 0.00 H new ATOM 0 HA THR A 86 -1.995 -4.973 -7.280 1.00 0.00 H new ATOM 0 HB THR A 86 -3.654 -3.959 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.123 -4.967 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.993 -1.946 -6.310 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.283 -2.165 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.833 -2.557 -7.514 1.00 0.00 H new ATOM 1079 N GLY A 87 0.037 -3.936 -6.366 1.00 0.00 N ATOM 1080 CA GLY A 87 1.284 -3.424 -5.839 1.00 0.00 C ATOM 1081 C GLY A 87 1.475 -1.937 -6.058 1.00 0.00 C ATOM 1082 O GLY A 87 1.446 -1.454 -7.197 1.00 0.00 O ATOM 0 H GLY A 87 -0.029 -3.936 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.329 -3.633 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.112 -3.960 -6.304 1.00 0.00 H new ATOM 1086 N LEU A 88 1.657 -1.213 -4.983 1.00 0.00 N ATOM 1087 CA LEU A 88 1.888 0.216 -5.039 1.00 0.00 C ATOM 1088 C LEU A 88 3.284 0.555 -4.595 1.00 0.00 C ATOM 1089 O LEU A 88 3.831 -0.079 -3.688 1.00 0.00 O ATOM 1090 CB LEU A 88 0.852 0.992 -4.202 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.366 1.530 -4.955 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.052 2.628 -5.917 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.068 0.418 -5.701 1.00 0.00 C ATOM 0 H LEU A 88 1.650 -1.596 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 88 1.773 0.521 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.499 0.339 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.358 1.832 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.062 1.947 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.825 3.002 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.514 3.443 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.767 2.229 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.931 0.823 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.380 -0.029 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.399 -0.342 -4.994 1.00 0.00 H new ATOM 1105 N GLY A 89 3.846 1.561 -5.215 1.00 0.00 N ATOM 1106 CA GLY A 89 5.172 1.972 -4.897 1.00 0.00 C ATOM 1107 C GLY A 89 5.204 3.368 -4.352 1.00 0.00 C ATOM 1108 O GLY A 89 4.203 4.094 -4.432 1.00 0.00 O ATOM 0 H GLY A 89 3.394 2.109 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.600 1.286 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.795 1.916 -5.790 1.00 0.00 H new ATOM 1112 N HIS A 90 6.342 3.745 -3.811 1.00 0.00 N ATOM 1113 CA HIS A 90 6.529 5.054 -3.202 1.00 0.00 C ATOM 1114 C HIS A 90 6.289 6.186 -4.202 1.00 0.00 C ATOM 1115 O HIS A 90 6.873 6.216 -5.292 1.00 0.00 O ATOM 1116 CB HIS A 90 7.930 5.181 -2.538 1.00 0.00 C ATOM 1117 CG HIS A 90 9.114 5.151 -3.484 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.946 6.231 -3.728 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.606 4.135 -4.230 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.883 5.846 -4.590 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.726 4.579 -4.926 1.00 0.00 N ATOM 0 H HIS A 90 7.171 3.152 -3.779 1.00 0.00 H new ATOM 0 HA HIS A 90 5.780 5.148 -2.416 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.962 6.115 -1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.044 4.371 -1.817 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.856 7.161 -3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.195 3.138 -4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.668 6.485 -4.965 1.00 0.00 H new ATOM 1129 N GLY A 91 5.387 7.063 -3.853 1.00 0.00 N ATOM 1130 CA GLY A 91 5.107 8.203 -4.669 1.00 0.00 C ATOM 1131 C GLY A 91 4.049 7.929 -5.684 1.00 0.00 C ATOM 1132 O GLY A 91 3.726 8.792 -6.497 1.00 0.00 O ATOM 0 H GLY A 91 4.831 7.004 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.793 9.032 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.020 8.517 -5.175 1.00 0.00 H new ATOM 1136 N THR A 92 3.500 6.746 -5.654 1.00 0.00 N ATOM 1137 CA THR A 92 2.489 6.396 -6.590 1.00 0.00 C ATOM 1138 C THR A 92 1.176 6.213 -5.837 1.00 0.00 C ATOM 1139 O THR A 92 1.167 5.744 -4.682 1.00 0.00 O ATOM 1140 CB THR A 92 2.877 5.082 -7.293 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.270 5.151 -7.647 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.056 4.880 -8.566 1.00 0.00 C ATOM 0 H THR A 92 3.742 6.013 -4.987 1.00 0.00 H new ATOM 0 HA THR A 92 2.379 7.179 -7.340 1.00 0.00 H new ATOM 0 HB THR A 92 2.683 4.248 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.535 4.321 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.349 3.945 -9.044 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.996 4.842 -8.313 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.236 5.709 -9.250 1.00 0.00 H new ATOM 1150 N CYS A 93 0.094 6.569 -6.466 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.193 6.435 -5.870 1.00 0.00 C ATOM 1152 C CYS A 93 -2.121 5.838 -6.894 1.00 0.00 C ATOM 1153 O CYS A 93 -1.841 5.881 -8.094 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.771 7.795 -5.487 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.625 9.015 -4.734 1.00 0.00 S ATOM 0 H CYS A 93 0.084 6.960 -7.408 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.097 5.816 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.200 8.244 -6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.592 7.628 -4.790 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.180 5.261 -6.442 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.201 4.791 -7.321 1.00 0.00 C ATOM 1162 C ILE A 94 -5.221 5.889 -7.436 1.00 0.00 C ATOM 1163 O ILE A 94 -5.617 6.456 -6.415 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.897 3.536 -6.777 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.871 2.481 -6.439 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.876 2.997 -7.811 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.465 1.208 -5.877 1.00 0.00 C ATOM 0 H ILE A 94 -3.366 5.100 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.754 4.531 -8.281 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.445 3.799 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.302 2.240 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.166 2.892 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.366 2.106 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.626 3.756 -8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.337 2.742 -8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.666 0.499 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.009 1.434 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.148 0.772 -6.606 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.617 6.213 -8.639 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.632 7.252 -8.845 1.00 0.00 C ATOM 1181 C ASP A 95 -7.975 6.757 -8.376 1.00 0.00 C ATOM 1182 O ASP A 95 -8.658 7.412 -7.599 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.720 7.692 -10.314 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.490 8.416 -10.783 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.408 9.646 -10.608 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.558 7.766 -11.310 1.00 0.00 O ATOM 0 H ASP A 95 -5.264 5.785 -9.495 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.334 8.122 -8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.881 6.815 -10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.588 8.339 -10.443 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.313 5.569 -8.785 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.566 4.964 -8.419 1.00 0.00 C ATOM 1193 C ASP A 96 -9.335 3.527 -8.093 1.00 0.00 C ATOM 1194 O ASP A 96 -9.200 2.706 -9.001 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.574 4.961 -9.547 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.085 6.277 -10.068 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.334 6.998 -10.750 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.299 6.538 -9.910 1.00 0.00 O ATOM 0 H ASP A 96 -7.727 4.988 -9.384 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.951 5.547 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.129 4.425 -10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.435 4.380 -9.218 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.273 3.205 -6.832 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.069 1.831 -6.422 1.00 0.00 C ATOM 1205 C PHE A 97 -10.256 0.969 -6.840 1.00 0.00 C ATOM 1206 O PHE A 97 -10.099 -0.157 -7.286 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.809 1.736 -4.920 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.484 0.350 -4.477 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.267 -0.300 -3.557 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.396 -0.306 -5.008 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.963 -1.581 -3.172 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.084 -1.582 -4.630 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.865 -2.222 -3.712 1.00 0.00 C ATOM 0 H PHE A 97 -9.360 3.871 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.181 1.450 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.986 2.400 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.688 2.088 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.126 0.199 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.778 0.197 -5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.582 -2.088 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.225 -2.080 -5.055 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.625 -3.230 -3.408 1.00 0.00 H new ATOM 1223 N THR A 98 -11.428 1.551 -6.764 1.00 0.00 N ATOM 1224 CA THR A 98 -12.650 0.868 -7.102 1.00 0.00 C ATOM 1225 C THR A 98 -12.701 0.479 -8.601 1.00 0.00 C ATOM 1226 O THR A 98 -13.374 -0.474 -8.969 1.00 0.00 O ATOM 1227 CB THR A 98 -13.898 1.712 -6.689 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.119 1.050 -7.051 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.863 3.107 -7.310 1.00 0.00 C ATOM 0 H THR A 98 -11.560 2.517 -6.464 1.00 0.00 H new ATOM 0 HA THR A 98 -12.670 -0.061 -6.532 1.00 0.00 H new ATOM 0 HB THR A 98 -13.864 1.816 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.883 1.601 -6.779 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.747 3.665 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.967 3.631 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.850 3.021 -8.397 1.00 0.00 H new ATOM 1237 N LYS A 99 -11.951 1.186 -9.446 1.00 0.00 N ATOM 1238 CA LYS A 99 -11.958 0.908 -10.872 1.00 0.00 C ATOM 1239 C LYS A 99 -10.852 -0.088 -11.227 1.00 0.00 C ATOM 1240 O LYS A 99 -10.778 -0.559 -12.362 1.00 0.00 O ATOM 1241 CB LYS A 99 -11.762 2.189 -11.676 1.00 0.00 C ATOM 1242 CG LYS A 99 -12.680 3.330 -11.274 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.121 3.093 -11.552 1.00 0.00 C ATOM 1244 CE LYS A 99 -14.975 4.198 -10.921 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.487 5.583 -11.224 1.00 0.00 N ATOM 0 H LYS A 99 -11.336 1.950 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.927 0.477 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.728 2.516 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.918 1.968 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.556 3.520 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.366 4.233 -11.798 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.290 3.064 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.420 2.123 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.001 4.098 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.995 4.057 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.157 6.279 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.552 5.724 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.413 5.707 -12.254 1.00 0.00 H new ATOM 1259 N SER A 100 -9.995 -0.404 -10.259 1.00 0.00 N ATOM 1260 CA SER A 100 -8.913 -1.361 -10.468 1.00 0.00 C ATOM 1261 C SER A 100 -9.465 -2.793 -10.414 1.00 0.00 C ATOM 1262 O SER A 100 -8.813 -3.756 -10.831 1.00 0.00 O ATOM 1263 CB SER A 100 -7.828 -1.159 -9.400 1.00 0.00 C ATOM 1264 OG SER A 100 -7.380 0.198 -9.378 1.00 0.00 O ATOM 0 H SER A 100 -10.030 -0.009 -9.319 1.00 0.00 H new ATOM 0 HA SER A 100 -8.470 -1.198 -11.450 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.221 -1.432 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.986 -1.821 -9.602 1.00 0.00 H new ATOM 0 HG SER A 100 -8.114 0.780 -9.091 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.672 -2.912 -9.925 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.306 -4.179 -9.826 1.00 0.00 C ATOM 1272 C GLY A 101 -11.895 -4.352 -8.474 1.00 0.00 C ATOM 1273 O GLY A 101 -13.075 -4.034 -8.255 1.00 0.00 O ATOM 0 H GLY A 101 -11.233 -2.129 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.085 -4.265 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.584 -4.972 -10.020 1.00 0.00 H new ATOM 1277 N PHE A 102 -11.094 -4.799 -7.551 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.563 -4.987 -6.205 1.00 0.00 C ATOM 1279 C PHE A 102 -11.425 -3.708 -5.432 1.00 0.00 C ATOM 1280 O PHE A 102 -10.483 -2.960 -5.632 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.856 -6.152 -5.476 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.363 -6.015 -5.230 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.463 -6.299 -6.224 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.874 -5.670 -3.974 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.108 -6.242 -5.999 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.512 -5.602 -3.740 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.629 -5.890 -4.753 1.00 0.00 C ATOM 0 H PHE A 102 -10.115 -5.040 -7.703 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.616 -5.263 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.345 -6.294 -4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -11.021 -7.061 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.826 -6.573 -7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.565 -5.453 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.418 -6.473 -6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.144 -5.323 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.565 -5.841 -4.575 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.384 -3.437 -4.598 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.329 -2.255 -3.770 1.00 0.00 C ATOM 1299 C LYS A 103 -12.193 -2.685 -2.311 1.00 0.00 C ATOM 1300 O LYS A 103 -11.987 -1.871 -1.435 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.586 -1.341 -3.972 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.840 -1.713 -3.155 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.332 -3.121 -3.426 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.399 -3.524 -2.436 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.820 -4.927 -2.619 1.00 0.00 N ATOM 0 H LYS A 103 -13.216 -4.013 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.464 -1.660 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.308 -0.317 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.851 -1.352 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.617 -1.611 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.638 -1.006 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.730 -3.182 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.497 -3.819 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.023 -3.387 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.263 -2.869 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.553 -5.163 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.202 -5.052 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.001 -5.555 -2.488 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.327 -3.982 -2.079 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.292 -4.506 -0.747 1.00 0.00 C ATOM 1321 C GLY A 104 -11.028 -5.263 -0.475 1.00 0.00 C ATOM 1322 O GLY A 104 -10.821 -6.362 -1.012 1.00 0.00 O ATOM 0 H GLY A 104 -12.461 -4.683 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.385 -3.688 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.148 -5.163 -0.593 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.188 -4.692 0.339 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.931 -5.300 0.696 1.00 0.00 C ATOM 1328 C ILE A 105 -9.118 -6.116 1.931 1.00 0.00 C ATOM 1329 O ILE A 105 -9.528 -5.630 2.986 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.847 -4.211 0.897 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.693 -3.428 -0.393 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.514 -4.828 1.285 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.967 -2.117 -0.225 1.00 0.00 C ATOM 0 H ILE A 105 -10.353 -3.786 0.778 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.594 -5.954 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.159 -3.550 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.155 -4.040 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.681 -3.235 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.773 -4.040 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.627 -5.382 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.184 -5.506 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.896 -1.614 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.515 -1.485 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.965 -2.303 0.162 1.00 0.00 H new ATOM 1345 N SER A 106 -8.918 -7.360 1.728 1.00 0.00 N ATOM 1346 CA SER A 106 -8.971 -8.365 2.702 1.00 0.00 C ATOM 1347 C SER A 106 -7.652 -8.584 3.482 1.00 0.00 C ATOM 1348 O SER A 106 -7.674 -9.051 4.622 1.00 0.00 O ATOM 1349 CB SER A 106 -9.515 -9.596 2.071 1.00 0.00 C ATOM 1350 OG SER A 106 -10.926 -9.660 2.158 1.00 0.00 O ATOM 0 H SER A 106 -8.696 -7.726 0.802 1.00 0.00 H new ATOM 0 HA SER A 106 -9.645 -8.041 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.215 -9.629 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.082 -10.472 2.554 1.00 0.00 H new ATOM 0 HG SER A 106 -11.243 -10.483 1.730 1.00 0.00 H new ATOM 1356 N SER A 107 -6.515 -8.302 2.858 1.00 0.00 N ATOM 1357 CA SER A 107 -5.221 -8.436 3.526 1.00 0.00 C ATOM 1358 C SER A 107 -4.191 -7.528 2.848 1.00 0.00 C ATOM 1359 O SER A 107 -4.382 -7.145 1.689 1.00 0.00 O ATOM 1360 CB SER A 107 -4.755 -9.916 3.569 1.00 0.00 C ATOM 1361 OG SER A 107 -4.623 -10.498 2.284 1.00 0.00 O ATOM 0 H SER A 107 -6.460 -7.979 1.892 1.00 0.00 H new ATOM 0 HA SER A 107 -5.326 -8.116 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.798 -9.974 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.468 -10.498 4.153 1.00 0.00 H new ATOM 0 HG SER A 107 -5.512 -10.668 1.909 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.129 -7.165 3.561 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.126 -6.228 3.047 1.00 0.00 C ATOM 1369 C ILE A 108 -0.738 -6.734 3.404 1.00 0.00 C ATOM 1370 O ILE A 108 -0.494 -7.064 4.556 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.284 -4.805 3.683 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.708 -4.279 3.520 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.288 -3.829 3.077 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.904 -2.909 4.104 1.00 0.00 C ATOM 0 H ILE A 108 -2.937 -7.506 4.503 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.265 -6.158 1.968 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.077 -4.896 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.960 -4.254 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.401 -4.972 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.416 -2.848 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.274 -4.184 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.459 -3.754 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.937 -2.594 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.683 -2.933 5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.235 -2.204 3.611 1.00 0.00 H new ATOM 1386 N LYS A 109 0.162 -6.769 2.445 1.00 0.00 N ATOM 1387 CA LYS A 109 1.525 -7.230 2.683 1.00 0.00 C ATOM 1388 C LYS A 109 2.481 -6.079 2.407 1.00 0.00 C ATOM 1389 O LYS A 109 2.339 -5.381 1.399 1.00 0.00 O ATOM 1390 CB LYS A 109 1.883 -8.425 1.776 1.00 0.00 C ATOM 1391 CG LYS A 109 3.232 -9.079 2.110 1.00 0.00 C ATOM 1392 CD LYS A 109 3.680 -10.098 1.054 1.00 0.00 C ATOM 1393 CE LYS A 109 2.688 -11.224 0.856 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.097 -12.137 -0.228 1.00 0.00 N ATOM 0 H LYS A 109 -0.022 -6.482 1.483 1.00 0.00 H new ATOM 0 HA LYS A 109 1.607 -7.561 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.097 -9.176 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.900 -8.089 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.992 -8.304 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.160 -9.575 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.832 -9.585 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.642 -10.517 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.587 -11.786 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.707 -10.807 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.390 -12.893 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.168 -11.607 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.021 -12.556 0.001 1.00 0.00 H new ATOM 1408 N ARG A 110 3.423 -5.857 3.294 1.00 0.00 N ATOM 1409 CA ARG A 110 4.368 -4.779 3.110 1.00 0.00 C ATOM 1410 C ARG A 110 5.692 -5.331 2.591 1.00 0.00 C ATOM 1411 O ARG A 110 6.327 -6.174 3.242 1.00 0.00 O ATOM 1412 CB ARG A 110 4.615 -4.028 4.423 1.00 0.00 C ATOM 1413 CG ARG A 110 5.423 -2.748 4.249 1.00 0.00 C ATOM 1414 CD ARG A 110 5.830 -2.137 5.588 1.00 0.00 C ATOM 1415 NE ARG A 110 6.865 -2.920 6.276 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.202 -2.791 7.569 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.448 -2.078 8.394 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.281 -3.408 8.036 1.00 0.00 N ATOM 0 H ARG A 110 3.556 -6.404 4.145 1.00 0.00 H new ATOM 0 HA ARG A 110 3.945 -4.083 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.655 -3.783 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.138 -4.687 5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.316 -2.961 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.836 -2.024 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.196 -1.123 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.952 -2.059 6.229 1.00 0.00 H new ATOM 0 HE ARG A 110 7.368 -3.618 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.604 -1.622 8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.712 -1.986 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.852 -3.979 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.539 -3.311 9.018 1.00 0.00 H new ATOM 1432 N CYS A 111 6.103 -4.852 1.464 1.00 0.00 N ATOM 1433 CA CYS A 111 7.330 -5.254 0.853 1.00 0.00 C ATOM 1434 C CYS A 111 8.229 -4.050 0.699 1.00 0.00 C ATOM 1435 O CYS A 111 7.827 -2.914 0.983 1.00 0.00 O ATOM 1436 CB CYS A 111 7.040 -5.881 -0.502 1.00 0.00 C ATOM 1437 SG CYS A 111 5.918 -7.316 -0.437 1.00 0.00 S ATOM 0 H CYS A 111 5.585 -4.155 0.929 1.00 0.00 H new ATOM 0 HA CYS A 111 7.833 -5.991 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.606 -5.124 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.982 -6.191 -0.956 1.00 0.00 H new ATOM 1442 N ILE A 112 9.432 -4.286 0.306 1.00 0.00 N ATOM 1443 CA ILE A 112 10.381 -3.240 0.077 1.00 0.00 C ATOM 1444 C ILE A 112 10.974 -3.391 -1.302 1.00 0.00 C ATOM 1445 O ILE A 112 11.183 -4.505 -1.769 1.00 0.00 O ATOM 1446 CB ILE A 112 11.522 -3.267 1.109 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.057 -4.692 1.259 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.057 -2.706 2.447 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.431 -4.770 1.847 1.00 0.00 C ATOM 0 H ILE A 112 9.795 -5.223 0.131 1.00 0.00 H new ATOM 0 HA ILE A 112 9.854 -2.291 0.170 1.00 0.00 H new ATOM 0 HB ILE A 112 12.333 -2.632 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.372 -5.262 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.065 -5.171 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.881 -2.736 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.728 -1.675 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.229 -3.305 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.737 -5.814 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.131 -4.230 1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.427 -4.323 2.841 1.00 0.00 H new ATOM 1461 N GLN A 113 11.223 -2.305 -1.951 1.00 0.00 N ATOM 1462 CA GLN A 113 11.823 -2.342 -3.244 1.00 0.00 C ATOM 1463 C GLN A 113 13.171 -1.696 -3.154 1.00 0.00 C ATOM 1464 O GLN A 113 13.302 -0.534 -2.759 1.00 0.00 O ATOM 1465 CB GLN A 113 10.953 -1.698 -4.320 1.00 0.00 C ATOM 1466 CG GLN A 113 11.463 -1.976 -5.728 1.00 0.00 C ATOM 1467 CD GLN A 113 10.512 -1.532 -6.807 1.00 0.00 C ATOM 1468 OE1 GLN A 113 9.766 -0.560 -6.657 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.513 -2.241 -7.896 1.00 0.00 N ATOM 0 H GLN A 113 11.018 -1.368 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 113 11.930 -3.382 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.932 -2.069 -4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.917 -0.621 -4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.419 -1.471 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.649 -3.045 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.143 -3.038 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.883 -2.001 -8.662 1.00 0.00 H new ATOM 1478 N THR A 114 14.154 -2.459 -3.483 1.00 0.00 N ATOM 1479 CA THR A 114 15.527 -2.074 -3.340 1.00 0.00 C ATOM 1480 C THR A 114 15.973 -1.159 -4.483 1.00 0.00 C ATOM 1481 O THR A 114 15.218 -0.911 -5.437 1.00 0.00 O ATOM 1482 CB THR A 114 16.397 -3.343 -3.376 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.194 -3.985 -4.637 1.00 0.00 O ATOM 1484 CG2 THR A 114 15.995 -4.321 -2.280 1.00 0.00 C ATOM 0 H THR A 114 14.029 -3.394 -3.870 1.00 0.00 H new ATOM 0 HA THR A 114 15.637 -1.537 -2.398 1.00 0.00 H new ATOM 0 HB THR A 114 17.438 -3.057 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.302 -4.391 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.628 -5.207 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.115 -3.846 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.953 -4.611 -2.416 1.00 0.00 H new ATOM 1492 N LYS A 115 17.209 -0.694 -4.395 1.00 0.00 N ATOM 1493 CA LYS A 115 17.860 0.063 -5.457 1.00 0.00 C ATOM 1494 C LYS A 115 18.041 -0.846 -6.686 1.00 0.00 C ATOM 1495 O LYS A 115 18.010 -0.397 -7.826 1.00 0.00 O ATOM 1496 CB LYS A 115 19.219 0.594 -4.932 1.00 0.00 C ATOM 1497 CG LYS A 115 20.181 1.170 -5.971 1.00 0.00 C ATOM 1498 CD LYS A 115 19.598 2.312 -6.763 1.00 0.00 C ATOM 1499 CE LYS A 115 19.343 3.544 -5.924 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.860 4.662 -6.756 1.00 0.00 N ATOM 0 H LYS A 115 17.798 -0.833 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 115 17.251 0.916 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.018 1.367 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.725 -0.221 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.085 1.512 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.479 0.377 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.278 2.567 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.662 1.990 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.607 3.317 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.261 3.836 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.693 5.495 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.574 4.892 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.972 4.389 -7.223 1.00 0.00 H new ATOM 1514 N ASP A 116 18.130 -2.140 -6.428 1.00 0.00 N ATOM 1515 CA ASP A 116 18.301 -3.147 -7.482 1.00 0.00 C ATOM 1516 C ASP A 116 16.959 -3.395 -8.206 1.00 0.00 C ATOM 1517 O ASP A 116 16.891 -4.039 -9.264 1.00 0.00 O ATOM 1518 CB ASP A 116 18.814 -4.438 -6.819 1.00 0.00 C ATOM 1519 CG ASP A 116 18.920 -5.617 -7.751 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.876 -5.691 -8.540 1.00 0.00 O ATOM 1521 OD2 ASP A 116 18.075 -6.526 -7.673 1.00 0.00 O ATOM 0 H ASP A 116 18.087 -2.530 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 116 19.017 -2.803 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.795 -4.244 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.148 -4.699 -5.997 1.00 0.00 H new ATOM 1526 N GLY A 117 15.910 -2.823 -7.651 1.00 0.00 N ATOM 1527 CA GLY A 117 14.595 -2.880 -8.244 1.00 0.00 C ATOM 1528 C GLY A 117 13.802 -4.064 -7.783 1.00 0.00 C ATOM 1529 O GLY A 117 12.596 -4.129 -8.010 1.00 0.00 O ATOM 0 H GLY A 117 15.948 -2.305 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.052 -1.967 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.692 -2.913 -9.329 1.00 0.00 H new ATOM 1533 N LYS A 118 14.459 -4.993 -7.116 1.00 0.00 N ATOM 1534 CA LYS A 118 13.770 -6.162 -6.626 1.00 0.00 C ATOM 1535 C LYS A 118 12.910 -5.793 -5.448 1.00 0.00 C ATOM 1536 O LYS A 118 13.309 -4.949 -4.607 1.00 0.00 O ATOM 1537 CB LYS A 118 14.723 -7.301 -6.228 1.00 0.00 C ATOM 1538 CG LYS A 118 15.665 -6.982 -5.099 1.00 0.00 C ATOM 1539 CD LYS A 118 16.325 -8.229 -4.550 1.00 0.00 C ATOM 1540 CE LYS A 118 17.289 -7.875 -3.441 1.00 0.00 C ATOM 1541 NZ LYS A 118 17.768 -9.063 -2.708 1.00 0.00 N ATOM 0 H LYS A 118 15.456 -4.959 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 118 13.155 -6.530 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.128 -8.171 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.311 -7.584 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.430 -6.289 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.119 -6.478 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.565 -8.914 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 118 16.855 -8.748 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 118 18.142 -7.343 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.801 -7.194 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 18.536 -8.787 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 16.985 -9.471 -2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.121 -9.770 -3.385 1.00 0.00 H new ATOM 1555 N VAL A 119 11.756 -6.381 -5.396 1.00 0.00 N ATOM 1556 CA VAL A 119 10.850 -6.178 -4.318 1.00 0.00 C ATOM 1557 C VAL A 119 10.955 -7.391 -3.418 1.00 0.00 C ATOM 1558 O VAL A 119 10.739 -8.522 -3.859 1.00 0.00 O ATOM 1559 CB VAL A 119 9.377 -6.007 -4.810 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.461 -5.614 -3.666 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.279 -4.981 -5.923 1.00 0.00 C ATOM 0 H VAL A 119 11.416 -7.023 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 119 11.110 -5.260 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 119 9.056 -6.972 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.442 -5.502 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.484 -6.388 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.797 -4.669 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.241 -4.887 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.636 -4.017 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 119 9.890 -5.301 -6.767 1.00 0.00 H new ATOM 1571 N GLU A 120 11.348 -7.176 -2.203 1.00 0.00 N ATOM 1572 CA GLU A 120 11.490 -8.248 -1.267 1.00 0.00 C ATOM 1573 C GLU A 120 10.333 -8.204 -0.320 1.00 0.00 C ATOM 1574 O GLU A 120 9.900 -7.116 0.084 1.00 0.00 O ATOM 1575 CB GLU A 120 12.808 -8.156 -0.500 1.00 0.00 C ATOM 1576 CG GLU A 120 14.022 -8.023 -1.394 1.00 0.00 C ATOM 1577 CD GLU A 120 15.308 -8.303 -0.678 1.00 0.00 C ATOM 1578 OE1 GLU A 120 15.840 -7.427 0.016 1.00 0.00 O ATOM 1579 OE2 GLU A 120 15.835 -9.427 -0.832 1.00 0.00 O ATOM 0 H GLU A 120 11.579 -6.255 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 120 11.501 -9.194 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.768 -7.300 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.920 -9.045 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.924 -8.709 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.054 -7.015 -1.807 1.00 0.00 H new ATOM 1586 N CYS A 121 9.823 -9.345 0.026 1.00 0.00 N ATOM 1587 CA CYS A 121 8.694 -9.405 0.899 1.00 0.00 C ATOM 1588 C CYS A 121 8.968 -10.385 2.002 1.00 0.00 C ATOM 1589 O CYS A 121 9.701 -11.364 1.814 1.00 0.00 O ATOM 1590 CB CYS A 121 7.454 -9.859 0.123 1.00 0.00 C ATOM 1591 SG CYS A 121 6.998 -8.801 -1.291 1.00 0.00 S ATOM 0 H CYS A 121 10.173 -10.251 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 121 8.516 -8.414 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.623 -10.873 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.610 -9.904 0.811 1.00 0.00 H new