USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -68:sc= 0.0417 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0404 USER MOD Set 2.1: A 81 TYR OH : rot 154:sc= 0.94 USER MOD Set 2.2: A 87 SER OG : rot 35:sc= 0.838 USER MOD Single : A 13 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.014) USER MOD Single : A 17 SER OG : rot 180:sc= -0.152 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-2.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.993 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.16 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0494 K(o=-0.049,f=-0.63) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -170:sc= 0 (180deg=-0.0909) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= 0 USER MOD Single : A 70 SER OG : rot -46:sc= 0.698 USER MOD Single : A 71 THR OG1 : rot 53:sc= 1.16 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 162:sc= -1.54 USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.0534 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -26:sc= 0.779 USER MOD Single : A 90 THR OG1 : rot 31:sc= 0.138 USER MOD Single : A 95 THR OG1 : rot 166:sc= 1.32 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= -0.704 (180deg=-2.11!) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -6.599 -12.303 -5.969 1.00 0.00 N ATOM 110 CA PRO A 11 -7.990 -12.115 -6.392 1.00 0.00 C ATOM 111 C PRO A 11 -8.141 -10.985 -7.404 1.00 0.00 C ATOM 112 O PRO A 11 -8.747 -11.163 -8.461 1.00 0.00 O ATOM 113 CB PRO A 11 -8.713 -11.766 -5.088 1.00 0.00 C ATOM 114 CG PRO A 11 -7.657 -11.180 -4.215 1.00 0.00 C ATOM 115 CD PRO A 11 -6.383 -11.894 -4.571 1.00 0.00 C ATOM 0 HA PRO A 11 -8.387 -12.998 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.522 -11.056 -5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.157 -12.651 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.563 -10.107 -4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.901 -11.318 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.516 -11.241 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.210 -12.753 -3.923 1.00 0.00 H new ATOM 123 N ARG A 12 -7.586 -9.824 -7.075 1.00 0.00 N ATOM 124 CA ARG A 12 -7.660 -8.665 -7.956 1.00 0.00 C ATOM 125 C ARG A 12 -6.271 -8.083 -8.207 1.00 0.00 C ATOM 126 O ARG A 12 -5.265 -8.641 -7.769 1.00 0.00 O ATOM 127 CB ARG A 12 -8.571 -7.595 -7.351 1.00 0.00 C ATOM 128 CG ARG A 12 -9.965 -8.100 -7.017 1.00 0.00 C ATOM 129 CD ARG A 12 -10.843 -8.170 -8.256 1.00 0.00 C ATOM 130 NE ARG A 12 -10.762 -9.473 -8.912 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.340 -9.748 -10.075 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.039 -8.816 -10.709 1.00 0.00 N ATOM 133 NH2 ARG A 12 -11.220 -10.957 -10.608 1.00 0.00 N ATOM 0 H ARG A 12 -7.080 -9.661 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.077 -8.991 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.108 -7.206 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.653 -6.762 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.896 -9.088 -6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.425 -7.441 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.878 -7.967 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.543 -7.392 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.232 -10.212 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.134 -7.885 -10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.482 -9.030 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.683 -11.677 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.665 -11.167 -11.502 1.00 0.00 H new ATOM 147 N HIS A 13 -6.225 -6.959 -8.914 1.00 0.00 N ATOM 148 CA HIS A 13 -4.961 -6.301 -9.223 1.00 0.00 C ATOM 149 C HIS A 13 -4.823 -4.996 -8.446 1.00 0.00 C ATOM 150 O HIS A 13 -5.819 -4.376 -8.071 1.00 0.00 O ATOM 151 CB HIS A 13 -4.857 -6.028 -10.724 1.00 0.00 C ATOM 152 CG HIS A 13 -3.449 -5.861 -11.207 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.114 -5.081 -12.293 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.287 -6.377 -10.743 1.00 0.00 C ATOM 155 CE1 HIS A 13 -1.806 -5.125 -12.478 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.281 -5.905 -11.550 1.00 0.00 N ATOM 0 H HIS A 13 -7.049 -6.485 -9.284 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.151 -6.967 -8.926 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.324 -6.850 -11.267 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.423 -5.127 -10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.172 -7.037 -9.896 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.260 -4.611 -13.255 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.289 -6.122 -11.449 1.00 0.00 H new ATOM 165 N LEU A 14 -3.583 -4.583 -8.207 1.00 0.00 N ATOM 166 CA LEU A 14 -3.314 -3.351 -7.474 1.00 0.00 C ATOM 167 C LEU A 14 -2.939 -2.221 -8.427 1.00 0.00 C ATOM 168 O LEU A 14 -2.519 -2.462 -9.558 1.00 0.00 O ATOM 169 CB LEU A 14 -2.190 -3.573 -6.460 1.00 0.00 C ATOM 170 CG LEU A 14 -2.621 -4.063 -5.077 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.408 -4.458 -4.249 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.433 -2.994 -4.361 1.00 0.00 C ATOM 0 H LEU A 14 -2.748 -5.084 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.223 -3.067 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.489 -4.296 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.647 -2.636 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.251 -4.944 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.734 -4.804 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.867 -5.258 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.752 -3.595 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.731 -3.360 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.828 -2.095 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.322 -2.760 -4.946 1.00 0.00 H new ATOM 184 N GLY A 15 -3.093 -0.985 -7.961 1.00 0.00 N ATOM 185 CA GLY A 15 -2.764 0.164 -8.784 1.00 0.00 C ATOM 186 C GLY A 15 -2.160 1.299 -7.980 1.00 0.00 C ATOM 187 O GLY A 15 -2.342 1.375 -6.765 1.00 0.00 O ATOM 0 H GLY A 15 -3.440 -0.759 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.063 -0.139 -9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.665 0.517 -9.286 1.00 0.00 H new ATOM 191 N PHE A 16 -1.436 2.183 -8.659 1.00 0.00 N ATOM 192 CA PHE A 16 -0.800 3.318 -8.000 1.00 0.00 C ATOM 193 C PHE A 16 -0.952 4.586 -8.835 1.00 0.00 C ATOM 194 O PHE A 16 -0.510 4.644 -9.982 1.00 0.00 O ATOM 195 CB PHE A 16 0.682 3.028 -7.756 1.00 0.00 C ATOM 196 CG PHE A 16 0.924 1.811 -6.911 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.928 1.901 -5.528 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.149 0.576 -7.498 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.150 0.783 -4.747 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.371 -0.545 -6.722 1.00 0.00 C ATOM 201 CZ PHE A 16 1.373 -0.442 -5.345 1.00 0.00 C ATOM 0 H PHE A 16 -1.275 2.135 -9.665 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.295 3.474 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.181 2.899 -8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.138 3.892 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.756 2.856 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.151 0.489 -8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.149 0.867 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.543 -1.502 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.549 -1.317 -4.737 1.00 0.00 H new ATOM 211 N SER A 17 -1.580 5.601 -8.249 1.00 0.00 N ATOM 212 CA SER A 17 -1.794 6.867 -8.939 1.00 0.00 C ATOM 213 C SER A 17 -1.401 8.044 -8.051 1.00 0.00 C ATOM 214 O SER A 17 -1.289 7.905 -6.833 1.00 0.00 O ATOM 215 CB SER A 17 -3.259 7.000 -9.363 1.00 0.00 C ATOM 216 OG SER A 17 -3.509 8.268 -9.944 1.00 0.00 O ATOM 0 H SER A 17 -1.949 5.571 -7.299 1.00 0.00 H new ATOM 0 HA SER A 17 -1.163 6.879 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.507 6.214 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.906 6.860 -8.497 1.00 0.00 H new ATOM 0 HG SER A 17 -4.451 8.327 -10.208 1.00 0.00 H new ATOM 222 N ASP A 18 -1.194 9.201 -8.669 1.00 0.00 N ATOM 223 CA ASP A 18 -0.814 10.403 -7.936 1.00 0.00 C ATOM 224 C ASP A 18 0.369 10.126 -7.014 1.00 0.00 C ATOM 225 O ASP A 18 0.425 10.627 -5.891 1.00 0.00 O ATOM 226 CB ASP A 18 -1.999 10.925 -7.123 1.00 0.00 C ATOM 227 CG ASP A 18 -1.962 12.431 -6.947 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.452 13.145 -7.846 1.00 0.00 O ATOM 229 OD2 ASP A 18 -1.442 12.894 -5.910 1.00 0.00 O ATOM 0 H ASP A 18 -1.283 9.332 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.517 11.162 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.928 10.643 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.002 10.448 -6.143 1.00 0.00 H new ATOM 234 N VAL A 19 1.312 9.322 -7.495 1.00 0.00 N ATOM 235 CA VAL A 19 2.495 8.978 -6.714 1.00 0.00 C ATOM 236 C VAL A 19 3.438 10.169 -6.591 1.00 0.00 C ATOM 237 O VAL A 19 3.699 10.871 -7.568 1.00 0.00 O ATOM 238 CB VAL A 19 3.257 7.796 -7.341 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.482 7.449 -6.510 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.342 6.589 -7.486 1.00 0.00 C ATOM 0 H VAL A 19 1.280 8.897 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 19 2.147 8.691 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 19 3.593 8.090 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.008 6.611 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.146 8.312 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.172 7.174 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.897 5.763 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.974 6.292 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.499 6.846 -8.127 1.00 0.00 H new ATOM 250 N SER A 20 3.948 10.391 -5.384 1.00 0.00 N ATOM 251 CA SER A 20 4.861 11.500 -5.132 1.00 0.00 C ATOM 252 C SER A 20 6.197 10.993 -4.596 1.00 0.00 C ATOM 253 O SER A 20 6.419 9.786 -4.491 1.00 0.00 O ATOM 254 CB SER A 20 4.240 12.483 -4.138 1.00 0.00 C ATOM 255 OG SER A 20 3.133 13.157 -4.711 1.00 0.00 O ATOM 0 H SER A 20 3.745 9.818 -4.565 1.00 0.00 H new ATOM 0 HA SER A 20 5.040 12.013 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.921 11.948 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.989 13.210 -3.824 1.00 0.00 H new ATOM 0 HG SER A 20 2.753 13.778 -4.055 1.00 0.00 H new ATOM 261 N HIS A 21 7.084 11.924 -4.260 1.00 0.00 N ATOM 262 CA HIS A 21 8.398 11.572 -3.734 1.00 0.00 C ATOM 263 C HIS A 21 8.318 11.241 -2.247 1.00 0.00 C ATOM 264 O HIS A 21 9.148 10.498 -1.721 1.00 0.00 O ATOM 265 CB HIS A 21 9.385 12.719 -3.961 1.00 0.00 C ATOM 266 CG HIS A 21 8.883 14.045 -3.478 1.00 0.00 C ATOM 267 ND1 HIS A 21 7.951 14.793 -4.167 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.187 14.755 -2.367 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.706 15.907 -3.501 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.442 15.908 -2.405 1.00 0.00 N ATOM 0 H HIS A 21 6.917 12.927 -4.342 1.00 0.00 H new ATOM 0 HA HIS A 21 8.750 10.688 -4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.321 12.487 -3.454 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.608 12.790 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.885 14.468 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.020 16.685 -3.802 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.455 16.646 -1.701 1.00 0.00 H new ATOM 279 N ASP A 22 7.316 11.797 -1.575 1.00 0.00 N ATOM 280 CA ASP A 22 7.128 11.561 -0.149 1.00 0.00 C ATOM 281 C ASP A 22 5.712 11.072 0.139 1.00 0.00 C ATOM 282 O ASP A 22 5.203 11.231 1.248 1.00 0.00 O ATOM 283 CB ASP A 22 7.411 12.838 0.644 1.00 0.00 C ATOM 284 CG ASP A 22 8.891 13.157 0.718 1.00 0.00 C ATOM 285 OD1 ASP A 22 9.632 12.750 -0.201 1.00 0.00 O ATOM 286 OD2 ASP A 22 9.309 13.813 1.696 1.00 0.00 O ATOM 0 H ASP A 22 6.621 12.414 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 22 7.831 10.788 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.885 13.673 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.014 12.731 1.654 1.00 0.00 H new ATOM 291 N ALA A 23 5.080 10.479 -0.869 1.00 0.00 N ATOM 292 CA ALA A 23 3.723 9.967 -0.724 1.00 0.00 C ATOM 293 C ALA A 23 3.340 9.085 -1.907 1.00 0.00 C ATOM 294 O ALA A 23 3.962 9.148 -2.967 1.00 0.00 O ATOM 295 CB ALA A 23 2.737 11.117 -0.580 1.00 0.00 C ATOM 0 H ALA A 23 5.486 10.341 -1.794 1.00 0.00 H new ATOM 0 HA ALA A 23 3.686 9.356 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.728 10.720 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.991 11.706 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.785 11.751 -1.466 1.00 0.00 H new ATOM 301 N ALA A 24 2.313 8.263 -1.719 1.00 0.00 N ATOM 302 CA ALA A 24 1.846 7.369 -2.771 1.00 0.00 C ATOM 303 C ALA A 24 0.441 6.858 -2.474 1.00 0.00 C ATOM 304 O ALA A 24 0.181 6.315 -1.400 1.00 0.00 O ATOM 305 CB ALA A 24 2.810 6.203 -2.939 1.00 0.00 C ATOM 0 H ALA A 24 1.788 8.198 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 24 1.809 7.933 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.449 5.543 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.796 6.582 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.876 5.648 -2.003 1.00 0.00 H new ATOM 311 N ARG A 25 -0.463 7.035 -3.433 1.00 0.00 N ATOM 312 CA ARG A 25 -1.843 6.593 -3.273 1.00 0.00 C ATOM 313 C ARG A 25 -2.043 5.205 -3.876 1.00 0.00 C ATOM 314 O ARG A 25 -1.895 5.014 -5.083 1.00 0.00 O ATOM 315 CB ARG A 25 -2.799 7.589 -3.931 1.00 0.00 C ATOM 316 CG ARG A 25 -4.254 7.387 -3.538 1.00 0.00 C ATOM 317 CD ARG A 25 -5.161 8.399 -4.221 1.00 0.00 C ATOM 318 NE ARG A 25 -5.235 8.182 -5.663 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.260 8.572 -6.413 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.292 9.195 -5.859 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.255 8.338 -7.719 1.00 0.00 N ATOM 0 H ARG A 25 -0.264 7.481 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.060 6.541 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.496 8.601 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.709 7.505 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.567 6.378 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.356 7.477 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.162 8.336 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.793 9.406 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.457 7.705 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.300 9.376 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.078 9.493 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.464 7.858 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.042 8.638 -8.294 1.00 0.00 H new ATOM 335 N VAL A 26 -2.380 4.240 -3.026 1.00 0.00 N ATOM 336 CA VAL A 26 -2.601 2.870 -3.475 1.00 0.00 C ATOM 337 C VAL A 26 -4.082 2.510 -3.431 1.00 0.00 C ATOM 338 O VAL A 26 -4.731 2.631 -2.391 1.00 0.00 O ATOM 339 CB VAL A 26 -1.813 1.864 -2.615 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.204 1.992 -1.151 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.040 0.445 -3.114 1.00 0.00 C ATOM 0 H VAL A 26 -2.506 4.381 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.247 2.812 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.750 2.090 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.637 1.274 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.986 3.002 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.270 1.793 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.476 -0.253 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.102 0.205 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.705 0.365 -4.148 1.00 0.00 H new ATOM 351 N PHE A 27 -4.611 2.065 -4.566 1.00 0.00 N ATOM 352 CA PHE A 27 -6.016 1.687 -4.658 1.00 0.00 C ATOM 353 C PHE A 27 -6.170 0.323 -5.326 1.00 0.00 C ATOM 354 O PHE A 27 -5.209 -0.229 -5.861 1.00 0.00 O ATOM 355 CB PHE A 27 -6.800 2.742 -5.440 1.00 0.00 C ATOM 356 CG PHE A 27 -6.456 2.784 -6.901 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.974 1.841 -7.775 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.616 3.765 -7.401 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.658 1.877 -9.120 1.00 0.00 C ATOM 360 CE2 PHE A 27 -5.297 3.806 -8.746 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.820 2.861 -9.606 1.00 0.00 C ATOM 0 H PHE A 27 -4.088 1.957 -5.435 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.416 1.624 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.867 2.545 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.611 3.722 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.631 1.070 -7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.205 4.507 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.066 1.136 -9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.640 4.576 -9.123 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.574 2.891 -10.657 1.00 0.00 H new ATOM 371 N TRP A 28 -7.384 -0.212 -5.290 1.00 0.00 N ATOM 372 CA TRP A 28 -7.665 -1.511 -5.892 1.00 0.00 C ATOM 373 C TRP A 28 -8.994 -1.490 -6.639 1.00 0.00 C ATOM 374 O TRP A 28 -9.828 -0.614 -6.413 1.00 0.00 O ATOM 375 CB TRP A 28 -7.686 -2.600 -4.818 1.00 0.00 C ATOM 376 CG TRP A 28 -8.308 -2.151 -3.530 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.580 -2.404 -3.102 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.686 -1.369 -2.504 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.786 -1.827 -1.872 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.640 -1.187 -1.483 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.416 -0.807 -2.348 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.361 -0.466 -0.325 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.142 -0.092 -1.198 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.110 0.074 -0.199 1.00 0.00 C ATOM 0 H TRP A 28 -8.190 0.233 -4.851 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.872 -1.731 -6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.234 -3.463 -5.196 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.665 -2.930 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.316 -2.974 -3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.653 -1.869 -1.336 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.663 -0.929 -3.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.106 -0.337 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.164 0.347 -1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.864 0.639 0.688 1.00 0.00 H new ATOM 395 N GLU A 29 -9.184 -2.459 -7.528 1.00 0.00 N ATOM 396 CA GLU A 29 -10.413 -2.550 -8.308 1.00 0.00 C ATOM 397 C GLU A 29 -11.538 -3.164 -7.480 1.00 0.00 C ATOM 398 O GLU A 29 -12.630 -3.417 -7.988 1.00 0.00 O ATOM 399 CB GLU A 29 -10.181 -3.382 -9.571 1.00 0.00 C ATOM 400 CG GLU A 29 -10.011 -4.867 -9.299 1.00 0.00 C ATOM 401 CD GLU A 29 -9.201 -5.567 -10.372 1.00 0.00 C ATOM 402 OE1 GLU A 29 -8.136 -5.036 -10.752 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.631 -6.645 -10.833 1.00 0.00 O ATOM 0 H GLU A 29 -8.503 -3.192 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.707 -1.541 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.022 -3.239 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.293 -3.011 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.523 -5.002 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.993 -5.334 -9.227 1.00 0.00 H new ATOM 410 N GLY A 30 -11.263 -3.401 -6.201 1.00 0.00 N ATOM 411 CA GLY A 30 -12.261 -3.984 -5.323 1.00 0.00 C ATOM 412 C GLY A 30 -12.256 -5.499 -5.366 1.00 0.00 C ATOM 413 O GLY A 30 -12.161 -6.096 -6.438 1.00 0.00 O ATOM 0 H GLY A 30 -10.367 -3.200 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.080 -3.652 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.248 -3.619 -5.607 1.00 0.00 H new ATOM 417 N ALA A 31 -12.359 -6.123 -4.197 1.00 0.00 N ATOM 418 CA ALA A 31 -12.367 -7.577 -4.105 1.00 0.00 C ATOM 419 C ALA A 31 -13.680 -8.153 -4.623 1.00 0.00 C ATOM 420 O ALA A 31 -14.701 -7.468 -4.693 1.00 0.00 O ATOM 421 CB ALA A 31 -12.125 -8.017 -2.668 1.00 0.00 C ATOM 0 H ALA A 31 -12.438 -5.643 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.561 -7.960 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.134 -9.106 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.157 -7.645 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.911 -7.616 -2.028 1.00 0.00 H new ATOM 427 N PRO A 32 -13.657 -9.442 -4.995 1.00 0.00 N ATOM 428 CA PRO A 32 -14.838 -10.138 -5.513 1.00 0.00 C ATOM 429 C PRO A 32 -15.895 -10.366 -4.438 1.00 0.00 C ATOM 430 O PRO A 32 -16.927 -10.988 -4.690 1.00 0.00 O ATOM 431 CB PRO A 32 -14.276 -11.474 -6.003 1.00 0.00 C ATOM 432 CG PRO A 32 -13.044 -11.687 -5.192 1.00 0.00 C ATOM 433 CD PRO A 32 -12.475 -10.318 -4.938 1.00 0.00 C ATOM 0 HA PRO A 32 -15.343 -9.562 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -14.992 -12.283 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.048 -11.441 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.276 -12.193 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.329 -12.314 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.980 -10.262 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.735 -10.044 -5.690 1.00 0.00 H new ATOM 441 N ARG A 33 -15.630 -9.859 -3.238 1.00 0.00 N ATOM 442 CA ARG A 33 -16.559 -10.008 -2.124 1.00 0.00 C ATOM 443 C ARG A 33 -16.437 -8.838 -1.153 1.00 0.00 C ATOM 444 O ARG A 33 -15.389 -8.201 -1.039 1.00 0.00 O ATOM 445 CB ARG A 33 -16.298 -11.324 -1.388 1.00 0.00 C ATOM 446 CG ARG A 33 -14.904 -11.422 -0.791 1.00 0.00 C ATOM 447 CD ARG A 33 -14.630 -12.813 -0.241 1.00 0.00 C ATOM 448 NE ARG A 33 -15.535 -13.157 0.852 1.00 0.00 N ATOM 449 CZ ARG A 33 -16.708 -13.756 0.674 1.00 0.00 C ATOM 450 NH1 ARG A 33 -17.114 -14.076 -0.546 1.00 0.00 N ATOM 451 NH2 ARG A 33 -17.476 -14.037 1.719 1.00 0.00 N ATOM 0 H ARG A 33 -14.780 -9.342 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.572 -10.019 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.034 -11.437 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.447 -12.153 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.163 -11.178 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.796 -10.687 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.733 -13.546 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.600 -12.867 0.111 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.252 -12.925 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.526 -13.863 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.015 -14.536 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.166 -13.793 2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.376 -14.497 1.581 1.00 0.00 H new ATOM 465 N PRO A 34 -17.532 -8.545 -0.437 1.00 0.00 N ATOM 466 CA PRO A 34 -17.573 -7.450 0.536 1.00 0.00 C ATOM 467 C PRO A 34 -16.725 -7.739 1.770 1.00 0.00 C ATOM 468 O PRO A 34 -16.686 -8.868 2.259 1.00 0.00 O ATOM 469 CB PRO A 34 -19.054 -7.365 0.914 1.00 0.00 C ATOM 470 CG PRO A 34 -19.590 -8.731 0.653 1.00 0.00 C ATOM 471 CD PRO A 34 -18.816 -9.262 -0.522 1.00 0.00 C ATOM 0 HA PRO A 34 -17.170 -6.525 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.180 -7.083 1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.573 -6.615 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.464 -9.373 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.657 -8.696 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.678 -10.341 -0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.327 -9.061 -1.464 1.00 0.00 H new ATOM 479 N VAL A 35 -16.046 -6.711 2.270 1.00 0.00 N ATOM 480 CA VAL A 35 -15.199 -6.854 3.448 1.00 0.00 C ATOM 481 C VAL A 35 -15.631 -5.900 4.555 1.00 0.00 C ATOM 482 O VAL A 35 -16.277 -4.884 4.296 1.00 0.00 O ATOM 483 CB VAL A 35 -13.719 -6.595 3.110 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.582 -5.377 2.210 1.00 0.00 C ATOM 485 CG2 VAL A 35 -12.905 -6.421 4.383 1.00 0.00 C ATOM 0 H VAL A 35 -16.066 -5.770 1.877 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.310 -7.881 3.795 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.330 -7.460 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.529 -5.210 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.132 -5.545 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.987 -4.502 2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.862 -6.239 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.292 -5.574 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.977 -7.325 4.987 1.00 0.00 H new ATOM 495 N ARG A 36 -15.270 -6.232 5.790 1.00 0.00 N ATOM 496 CA ARG A 36 -15.621 -5.404 6.938 1.00 0.00 C ATOM 497 C ARG A 36 -14.509 -4.407 7.249 1.00 0.00 C ATOM 498 O ARG A 36 -14.768 -3.226 7.485 1.00 0.00 O ATOM 499 CB ARG A 36 -15.892 -6.281 8.162 1.00 0.00 C ATOM 500 CG ARG A 36 -14.681 -7.074 8.623 1.00 0.00 C ATOM 501 CD ARG A 36 -14.976 -7.851 9.897 1.00 0.00 C ATOM 502 NE ARG A 36 -13.786 -8.519 10.418 1.00 0.00 N ATOM 503 CZ ARG A 36 -12.877 -7.916 11.177 1.00 0.00 C ATOM 504 NH1 ARG A 36 -13.022 -6.638 11.501 1.00 0.00 N ATOM 505 NH2 ARG A 36 -11.822 -8.591 11.613 1.00 0.00 N ATOM 0 H ARG A 36 -14.735 -7.069 6.022 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.525 -4.848 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.236 -5.650 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.702 -6.973 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.376 -7.765 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.845 -6.396 8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.371 -7.172 10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.750 -8.592 9.699 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.645 -9.502 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.832 -6.116 11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.323 -6.177 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.708 -9.574 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.125 -8.127 12.195 1.00 0.00 H new ATOM 519 N LEU A 37 -13.272 -4.890 7.249 1.00 0.00 N ATOM 520 CA LEU A 37 -12.119 -4.041 7.532 1.00 0.00 C ATOM 521 C LEU A 37 -10.988 -4.311 6.545 1.00 0.00 C ATOM 522 O LEU A 37 -10.853 -5.421 6.029 1.00 0.00 O ATOM 523 CB LEU A 37 -11.629 -4.274 8.962 1.00 0.00 C ATOM 524 CG LEU A 37 -10.368 -3.511 9.372 1.00 0.00 C ATOM 525 CD1 LEU A 37 -10.690 -2.047 9.628 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.739 -4.145 10.604 1.00 0.00 C ATOM 0 H LEU A 37 -13.041 -5.865 7.056 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.429 -3.002 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.432 -4.005 9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.443 -5.340 9.092 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.650 -3.566 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.781 -1.520 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.095 -1.599 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.425 -1.971 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.843 -3.590 10.882 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.451 -4.121 11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.472 -5.179 10.385 1.00 0.00 H new ATOM 538 N VAL A 38 -10.178 -3.290 6.288 1.00 0.00 N ATOM 539 CA VAL A 38 -9.056 -3.418 5.365 1.00 0.00 C ATOM 540 C VAL A 38 -7.772 -2.875 5.982 1.00 0.00 C ATOM 541 O VAL A 38 -7.593 -1.663 6.103 1.00 0.00 O ATOM 542 CB VAL A 38 -9.330 -2.677 4.042 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.138 -2.798 3.105 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.593 -3.212 3.384 1.00 0.00 C ATOM 0 H VAL A 38 -10.277 -2.365 6.706 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.935 -4.482 5.159 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.482 -1.620 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.350 -2.269 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.258 -2.363 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.951 -3.850 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.772 -2.678 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.473 -4.275 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.441 -3.067 4.053 1.00 0.00 H new ATOM 554 N ARG A 39 -6.880 -3.781 6.370 1.00 0.00 N ATOM 555 CA ARG A 39 -5.612 -3.393 6.976 1.00 0.00 C ATOM 556 C ARG A 39 -4.513 -3.299 5.922 1.00 0.00 C ATOM 557 O ARG A 39 -4.149 -4.295 5.298 1.00 0.00 O ATOM 558 CB ARG A 39 -5.211 -4.397 8.058 1.00 0.00 C ATOM 559 CG ARG A 39 -4.349 -3.797 9.156 1.00 0.00 C ATOM 560 CD ARG A 39 -4.426 -4.616 10.436 1.00 0.00 C ATOM 561 NE ARG A 39 -5.749 -4.548 11.050 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.985 -4.846 12.323 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.991 -5.230 13.112 1.00 0.00 N ATOM 564 NH2 ARG A 39 -7.216 -4.760 12.808 1.00 0.00 N ATOM 0 H ARG A 39 -7.012 -4.788 6.276 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.741 -2.411 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.113 -4.817 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.671 -5.222 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.314 -3.743 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.672 -2.776 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.181 -5.655 10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.679 -4.255 11.143 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.535 -4.256 10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.043 -5.297 12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.174 -5.458 14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.983 -4.465 12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.396 -4.989 13.785 1.00 0.00 H new ATOM 578 N VAL A 40 -3.987 -2.093 5.729 1.00 0.00 N ATOM 579 CA VAL A 40 -2.928 -1.868 4.752 1.00 0.00 C ATOM 580 C VAL A 40 -1.587 -1.633 5.438 1.00 0.00 C ATOM 581 O VAL A 40 -1.516 -0.980 6.480 1.00 0.00 O ATOM 582 CB VAL A 40 -3.248 -0.664 3.846 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.166 -0.487 2.792 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.613 -0.832 3.198 1.00 0.00 C ATOM 0 H VAL A 40 -4.277 -1.257 6.236 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.865 -2.768 4.140 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.273 0.235 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.409 0.368 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.207 -0.317 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.106 -1.385 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.822 0.028 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.620 -1.740 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.377 -0.905 3.972 1.00 0.00 H new ATOM 594 N THR A 41 -0.524 -2.169 4.846 1.00 0.00 N ATOM 595 CA THR A 41 0.815 -2.019 5.400 1.00 0.00 C ATOM 596 C THR A 41 1.841 -1.774 4.300 1.00 0.00 C ATOM 597 O THR A 41 1.838 -2.453 3.273 1.00 0.00 O ATOM 598 CB THR A 41 1.233 -3.263 6.208 1.00 0.00 C ATOM 599 OG1 THR A 41 1.085 -4.439 5.405 1.00 0.00 O ATOM 600 CG2 THR A 41 0.394 -3.395 7.470 1.00 0.00 C ATOM 0 H THR A 41 -0.565 -2.711 3.983 1.00 0.00 H new ATOM 0 HA THR A 41 0.786 -1.156 6.065 1.00 0.00 H new ATOM 0 HB THR A 41 2.278 -3.149 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.354 -5.226 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.707 -4.280 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.531 -2.510 8.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.658 -3.489 7.200 1.00 0.00 H new ATOM 608 N TYR A 42 2.718 -0.801 4.521 1.00 0.00 N ATOM 609 CA TYR A 42 3.749 -0.465 3.546 1.00 0.00 C ATOM 610 C TYR A 42 5.138 -0.556 4.169 1.00 0.00 C ATOM 611 O TYR A 42 5.323 -0.260 5.350 1.00 0.00 O ATOM 612 CB TYR A 42 3.518 0.942 2.991 1.00 0.00 C ATOM 613 CG TYR A 42 3.289 1.984 4.062 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.069 2.075 4.721 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.293 2.878 4.415 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.855 3.027 5.699 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.088 3.832 5.394 1.00 0.00 C ATOM 618 CZ TYR A 42 2.867 3.903 6.032 1.00 0.00 C ATOM 619 OH TYR A 42 2.659 4.851 7.007 1.00 0.00 O ATOM 0 H TYR A 42 2.736 -0.231 5.367 1.00 0.00 H new ATOM 0 HA TYR A 42 3.689 -1.185 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.380 1.233 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.657 0.923 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.275 1.390 4.464 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.249 2.826 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.900 3.085 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.879 4.518 5.658 1.00 0.00 H new ATOM 0 HH TYR A 42 3.472 5.387 7.121 1.00 0.00 H new ATOM 629 N VAL A 43 6.114 -0.969 3.367 1.00 0.00 N ATOM 630 CA VAL A 43 7.488 -1.098 3.837 1.00 0.00 C ATOM 631 C VAL A 43 8.482 -0.781 2.725 1.00 0.00 C ATOM 632 O VAL A 43 8.236 -1.077 1.556 1.00 0.00 O ATOM 633 CB VAL A 43 7.767 -2.515 4.372 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.803 -3.520 3.230 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.071 -2.541 5.156 1.00 0.00 C ATOM 0 H VAL A 43 5.978 -1.220 2.388 1.00 0.00 H new ATOM 0 HA VAL A 43 7.614 -0.380 4.648 1.00 0.00 H new ATOM 0 HB VAL A 43 6.958 -2.796 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.001 -4.515 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.843 -3.520 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.591 -3.246 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.253 -3.550 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.892 -2.240 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.003 -1.852 5.998 1.00 0.00 H new ATOM 645 N SER A 44 9.606 -0.178 3.098 1.00 0.00 N ATOM 646 CA SER A 44 10.637 0.182 2.132 1.00 0.00 C ATOM 647 C SER A 44 11.280 -1.065 1.533 1.00 0.00 C ATOM 648 O SER A 44 11.274 -2.134 2.143 1.00 0.00 O ATOM 649 CB SER A 44 11.706 1.052 2.795 1.00 0.00 C ATOM 650 OG SER A 44 12.579 1.613 1.830 1.00 0.00 O ATOM 0 H SER A 44 9.826 0.072 4.062 1.00 0.00 H new ATOM 0 HA SER A 44 10.165 0.748 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.228 1.849 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.279 0.453 3.503 1.00 0.00 H new ATOM 0 HG SER A 44 13.252 2.166 2.280 1.00 0.00 H new ATOM 714 N SER A 50 8.427 1.154 8.110 1.00 0.00 N ATOM 715 CA SER A 50 7.184 0.502 7.718 1.00 0.00 C ATOM 716 C SER A 50 5.997 1.102 8.466 1.00 0.00 C ATOM 717 O SER A 50 6.138 1.596 9.583 1.00 0.00 O ATOM 718 CB SER A 50 7.265 -1.002 7.988 1.00 0.00 C ATOM 719 OG SER A 50 7.054 -1.285 9.360 1.00 0.00 O ATOM 0 HA SER A 50 7.038 0.664 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.520 -1.523 7.387 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.241 -1.378 7.682 1.00 0.00 H new ATOM 0 HG SER A 50 7.109 -2.252 9.507 1.00 0.00 H new ATOM 725 N GLY A 51 4.825 1.054 7.839 1.00 0.00 N ATOM 726 CA GLY A 51 3.630 1.595 8.459 1.00 0.00 C ATOM 727 C GLY A 51 2.438 0.667 8.329 1.00 0.00 C ATOM 728 O GLY A 51 2.551 -0.422 7.768 1.00 0.00 O ATOM 0 H GLY A 51 4.682 0.650 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.826 1.784 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.390 2.555 8.002 1.00 0.00 H new ATOM 732 N GLN A 52 1.294 1.099 8.849 1.00 0.00 N ATOM 733 CA GLN A 52 0.077 0.298 8.790 1.00 0.00 C ATOM 734 C GLN A 52 -1.159 1.170 8.978 1.00 0.00 C ATOM 735 O GLN A 52 -1.386 1.722 10.055 1.00 0.00 O ATOM 736 CB GLN A 52 0.110 -0.797 9.858 1.00 0.00 C ATOM 737 CG GLN A 52 -1.211 -1.532 10.017 1.00 0.00 C ATOM 738 CD GLN A 52 -1.197 -2.515 11.171 1.00 0.00 C ATOM 739 OE1 GLN A 52 -0.463 -3.503 11.151 1.00 0.00 O ATOM 740 NE2 GLN A 52 -2.010 -2.248 12.187 1.00 0.00 N ATOM 0 H GLN A 52 1.184 1.999 9.316 1.00 0.00 H new ATOM 0 HA GLN A 52 0.025 -0.166 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.888 -1.517 9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.386 -0.352 10.814 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.010 -0.807 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.439 -2.065 9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.602 -1.417 12.162 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.043 -2.873 12.992 1.00 0.00 H new ATOM 749 N THR A 53 -1.957 1.292 7.921 1.00 0.00 N ATOM 750 CA THR A 53 -3.170 2.099 7.969 1.00 0.00 C ATOM 751 C THR A 53 -4.412 1.236 7.779 1.00 0.00 C ATOM 752 O THR A 53 -4.426 0.327 6.950 1.00 0.00 O ATOM 753 CB THR A 53 -3.154 3.201 6.892 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.256 4.094 7.089 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.228 2.596 5.498 1.00 0.00 C ATOM 0 H THR A 53 -1.785 0.842 7.022 1.00 0.00 H new ATOM 0 HA THR A 53 -3.202 2.564 8.954 1.00 0.00 H new ATOM 0 HB THR A 53 -2.219 3.753 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.238 4.792 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.215 3.393 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.373 1.939 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.149 2.022 5.399 1.00 0.00 H new ATOM 763 N GLU A 54 -5.454 1.528 8.552 1.00 0.00 N ATOM 764 CA GLU A 54 -6.701 0.777 8.467 1.00 0.00 C ATOM 765 C GLU A 54 -7.758 1.563 7.696 1.00 0.00 C ATOM 766 O GLU A 54 -7.835 2.786 7.800 1.00 0.00 O ATOM 767 CB GLU A 54 -7.218 0.444 9.868 1.00 0.00 C ATOM 768 CG GLU A 54 -6.495 -0.721 10.523 1.00 0.00 C ATOM 769 CD GLU A 54 -7.047 -1.053 11.896 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.117 -1.692 11.966 1.00 0.00 O ATOM 771 OE2 GLU A 54 -6.408 -0.673 12.900 1.00 0.00 O ATOM 0 H GLU A 54 -5.459 2.278 9.243 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.501 -0.151 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.118 1.325 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.282 0.213 9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.574 -1.599 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.435 -0.483 10.610 1.00 0.00 H new ATOM 778 N ALA A 55 -8.569 0.849 6.922 1.00 0.00 N ATOM 779 CA ALA A 55 -9.623 1.478 6.135 1.00 0.00 C ATOM 780 C ALA A 55 -10.870 0.603 6.089 1.00 0.00 C ATOM 781 O ALA A 55 -10.814 -0.611 6.285 1.00 0.00 O ATOM 782 CB ALA A 55 -9.126 1.769 4.726 1.00 0.00 C ATOM 0 H ALA A 55 -8.516 -0.165 6.823 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.890 2.419 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.923 2.239 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.269 2.440 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.830 0.837 4.245 1.00 0.00 H new ATOM 788 N PRO A 56 -12.025 1.232 5.823 1.00 0.00 N ATOM 789 CA PRO A 56 -13.309 0.529 5.745 1.00 0.00 C ATOM 790 C PRO A 56 -13.403 -0.372 4.517 1.00 0.00 C ATOM 791 O PRO A 56 -12.895 -0.036 3.449 1.00 0.00 O ATOM 792 CB PRO A 56 -14.331 1.665 5.654 1.00 0.00 C ATOM 793 CG PRO A 56 -13.575 2.808 5.069 1.00 0.00 C ATOM 794 CD PRO A 56 -12.166 2.677 5.578 1.00 0.00 C ATOM 0 HA PRO A 56 -13.463 -0.134 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.177 1.387 5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.732 1.917 6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.601 2.776 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.012 3.760 5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.440 3.033 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.012 3.256 6.489 1.00 0.00 H new ATOM 802 N GLY A 57 -14.058 -1.518 4.678 1.00 0.00 N ATOM 803 CA GLY A 57 -14.207 -2.448 3.575 1.00 0.00 C ATOM 804 C GLY A 57 -14.709 -1.775 2.313 1.00 0.00 C ATOM 805 O GLY A 57 -14.592 -2.326 1.219 1.00 0.00 O ATOM 0 H GLY A 57 -14.488 -1.818 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.247 -2.923 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.900 -3.239 3.862 1.00 0.00 H new ATOM 809 N ASN A 58 -15.272 -0.581 2.465 1.00 0.00 N ATOM 810 CA ASN A 58 -15.796 0.167 1.328 1.00 0.00 C ATOM 811 C ASN A 58 -14.693 0.977 0.654 1.00 0.00 C ATOM 812 O ASN A 58 -14.699 1.160 -0.563 1.00 0.00 O ATOM 813 CB ASN A 58 -16.924 1.098 1.779 1.00 0.00 C ATOM 814 CG ASN A 58 -17.257 2.149 0.738 1.00 0.00 C ATOM 815 OD1 ASN A 58 -17.342 1.854 -0.454 1.00 0.00 O ATOM 816 ND2 ASN A 58 -17.447 3.385 1.186 1.00 0.00 N ATOM 0 H ASN A 58 -15.377 -0.111 3.364 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.190 -0.548 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.815 0.508 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.636 1.589 2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.673 4.135 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.367 3.584 2.183 1.00 0.00 H new ATOM 823 N ALA A 59 -13.747 1.458 1.454 1.00 0.00 N ATOM 824 CA ALA A 59 -12.635 2.245 0.935 1.00 0.00 C ATOM 825 C ALA A 59 -11.805 1.436 -0.057 1.00 0.00 C ATOM 826 O ALA A 59 -11.149 0.463 0.315 1.00 0.00 O ATOM 827 CB ALA A 59 -11.761 2.741 2.077 1.00 0.00 C ATOM 0 H ALA A 59 -13.728 1.316 2.464 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.046 3.105 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.935 3.327 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.355 3.363 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.366 1.889 2.630 1.00 0.00 H new ATOM 833 N THR A 60 -11.839 1.845 -1.321 1.00 0.00 N ATOM 834 CA THR A 60 -11.092 1.157 -2.367 1.00 0.00 C ATOM 835 C THR A 60 -9.842 1.939 -2.754 1.00 0.00 C ATOM 836 O THR A 60 -9.337 1.808 -3.869 1.00 0.00 O ATOM 837 CB THR A 60 -11.956 0.936 -3.623 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.408 2.195 -4.134 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.152 0.052 -3.308 1.00 0.00 C ATOM 0 H THR A 60 -12.376 2.649 -1.645 1.00 0.00 H new ATOM 0 HA THR A 60 -10.800 0.188 -1.962 1.00 0.00 H new ATOM 0 HB THR A 60 -11.344 0.438 -4.375 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.955 2.046 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.747 -0.090 -4.210 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.804 -0.916 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.763 0.527 -2.541 1.00 0.00 H new ATOM 847 N SER A 61 -9.347 2.753 -1.827 1.00 0.00 N ATOM 848 CA SER A 61 -8.157 3.559 -2.073 1.00 0.00 C ATOM 849 C SER A 61 -7.638 4.171 -0.776 1.00 0.00 C ATOM 850 O SER A 61 -8.413 4.646 0.053 1.00 0.00 O ATOM 851 CB SER A 61 -8.465 4.665 -3.085 1.00 0.00 C ATOM 852 OG SER A 61 -9.561 5.456 -2.657 1.00 0.00 O ATOM 0 H SER A 61 -9.752 2.872 -0.898 1.00 0.00 H new ATOM 0 HA SER A 61 -7.385 2.907 -2.481 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.586 5.296 -3.217 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.689 4.222 -4.056 1.00 0.00 H new ATOM 0 HG SER A 61 -9.737 6.157 -3.319 1.00 0.00 H new ATOM 858 N ALA A 62 -6.319 4.156 -0.609 1.00 0.00 N ATOM 859 CA ALA A 62 -5.695 4.711 0.586 1.00 0.00 C ATOM 860 C ALA A 62 -4.341 5.332 0.259 1.00 0.00 C ATOM 861 O ALA A 62 -3.627 4.858 -0.624 1.00 0.00 O ATOM 862 CB ALA A 62 -5.540 3.634 1.649 1.00 0.00 C ATOM 0 H ALA A 62 -5.663 3.766 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.343 5.497 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.073 4.062 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.521 3.238 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.915 2.829 1.263 1.00 0.00 H new ATOM 868 N MET A 63 -3.994 6.395 0.977 1.00 0.00 N ATOM 869 CA MET A 63 -2.725 7.081 0.763 1.00 0.00 C ATOM 870 C MET A 63 -1.659 6.565 1.724 1.00 0.00 C ATOM 871 O MET A 63 -1.971 5.906 2.718 1.00 0.00 O ATOM 872 CB MET A 63 -2.900 8.590 0.939 1.00 0.00 C ATOM 873 CG MET A 63 -3.708 9.242 -0.171 1.00 0.00 C ATOM 874 SD MET A 63 -3.346 10.999 -0.354 1.00 0.00 S ATOM 875 CE MET A 63 -1.995 10.946 -1.529 1.00 0.00 C ATOM 0 H MET A 63 -4.574 6.800 1.712 1.00 0.00 H new ATOM 0 HA MET A 63 -2.398 6.877 -0.257 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.389 8.782 1.894 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.917 9.059 0.985 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.502 8.733 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.771 9.114 0.035 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.544 11.935 -1.610 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.245 10.232 -1.189 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.373 10.639 -2.504 1.00 0.00 H new ATOM 885 N LEU A 64 -0.401 6.868 1.424 1.00 0.00 N ATOM 886 CA LEU A 64 0.711 6.434 2.262 1.00 0.00 C ATOM 887 C LEU A 64 1.761 7.534 2.386 1.00 0.00 C ATOM 888 O LEU A 64 2.070 8.222 1.415 1.00 0.00 O ATOM 889 CB LEU A 64 1.347 5.168 1.685 1.00 0.00 C ATOM 890 CG LEU A 64 0.385 4.035 1.331 1.00 0.00 C ATOM 891 CD1 LEU A 64 1.073 3.006 0.447 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.156 3.380 2.594 1.00 0.00 C ATOM 0 H LEU A 64 -0.126 7.413 0.607 1.00 0.00 H new ATOM 0 HA LEU A 64 0.321 6.216 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.901 5.441 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.073 4.790 2.405 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.454 4.457 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.372 2.207 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.410 3.484 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.931 2.589 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.839 2.575 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.671 2.973 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.688 4.122 3.190 1.00 0.00 H new ATOM 904 N GLY A 65 2.307 7.691 3.588 1.00 0.00 N ATOM 905 CA GLY A 65 3.317 8.707 3.816 1.00 0.00 C ATOM 906 C GLY A 65 3.351 9.179 5.257 1.00 0.00 C ATOM 907 O GLY A 65 2.522 8.789 6.079 1.00 0.00 O ATOM 0 H GLY A 65 2.068 7.133 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.295 8.310 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.125 9.558 3.163 1.00 0.00 H new ATOM 911 N PRO A 66 4.330 10.036 5.580 1.00 0.00 N ATOM 912 CA PRO A 66 5.323 10.506 4.610 1.00 0.00 C ATOM 913 C PRO A 66 6.292 9.405 4.192 1.00 0.00 C ATOM 914 O PRO A 66 6.929 8.772 5.035 1.00 0.00 O ATOM 915 CB PRO A 66 6.064 11.611 5.367 1.00 0.00 C ATOM 916 CG PRO A 66 5.895 11.263 6.806 1.00 0.00 C ATOM 917 CD PRO A 66 4.544 10.613 6.918 1.00 0.00 C ATOM 0 HA PRO A 66 4.859 10.843 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.117 11.644 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.645 12.592 5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.682 10.587 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.953 12.153 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.530 9.847 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.770 11.337 7.172 1.00 0.00 H new ATOM 925 N LEU A 67 6.399 9.182 2.887 1.00 0.00 N ATOM 926 CA LEU A 67 7.292 8.157 2.356 1.00 0.00 C ATOM 927 C LEU A 67 8.614 8.768 1.902 1.00 0.00 C ATOM 928 O LEU A 67 8.831 9.972 2.035 1.00 0.00 O ATOM 929 CB LEU A 67 6.626 7.428 1.189 1.00 0.00 C ATOM 930 CG LEU A 67 5.159 7.043 1.386 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.624 6.330 0.154 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.998 6.170 2.622 1.00 0.00 C ATOM 0 H LEU A 67 5.879 9.697 2.177 1.00 0.00 H new ATOM 0 HA LEU A 67 7.499 7.442 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.699 8.059 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.194 6.521 0.982 1.00 0.00 H new ATOM 0 HG LEU A 67 4.580 7.955 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.579 6.064 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.703 6.989 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.206 5.426 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.948 5.906 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.589 5.262 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.341 6.716 3.501 1.00 0.00 H new ATOM 944 N SER A 68 9.493 7.929 1.364 1.00 0.00 N ATOM 945 CA SER A 68 10.795 8.386 0.891 1.00 0.00 C ATOM 946 C SER A 68 10.783 8.586 -0.621 1.00 0.00 C ATOM 947 O SER A 68 9.819 8.231 -1.298 1.00 0.00 O ATOM 948 CB SER A 68 11.882 7.381 1.276 1.00 0.00 C ATOM 949 OG SER A 68 12.319 7.587 2.608 1.00 0.00 O ATOM 0 H SER A 68 9.328 6.930 1.245 1.00 0.00 H new ATOM 0 HA SER A 68 11.012 9.343 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.498 6.367 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.727 7.476 0.594 1.00 0.00 H new ATOM 0 HG SER A 68 13.012 6.931 2.830 1.00 0.00 H new ATOM 955 N SER A 69 11.863 9.158 -1.144 1.00 0.00 N ATOM 956 CA SER A 69 11.977 9.410 -2.576 1.00 0.00 C ATOM 957 C SER A 69 12.882 8.376 -3.239 1.00 0.00 C ATOM 958 O SER A 69 13.754 7.794 -2.595 1.00 0.00 O ATOM 959 CB SER A 69 12.524 10.817 -2.826 1.00 0.00 C ATOM 960 OG SER A 69 13.727 11.032 -2.108 1.00 0.00 O ATOM 0 H SER A 69 12.671 9.456 -0.598 1.00 0.00 H new ATOM 0 HA SER A 69 10.982 9.331 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.703 10.957 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.782 11.557 -2.528 1.00 0.00 H new ATOM 0 HG SER A 69 14.220 11.777 -2.511 1.00 0.00 H new ATOM 966 N SER A 70 12.667 8.153 -4.532 1.00 0.00 N ATOM 967 CA SER A 70 13.459 7.187 -5.283 1.00 0.00 C ATOM 968 C SER A 70 13.641 5.898 -4.488 1.00 0.00 C ATOM 969 O SER A 70 14.658 5.214 -4.613 1.00 0.00 O ATOM 970 CB SER A 70 14.825 7.779 -5.635 1.00 0.00 C ATOM 971 OG SER A 70 15.552 6.914 -6.490 1.00 0.00 O ATOM 0 H SER A 70 11.951 8.629 -5.081 1.00 0.00 H new ATOM 0 HA SER A 70 12.924 6.953 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.691 8.746 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.394 7.956 -4.722 1.00 0.00 H new ATOM 0 HG SER A 70 15.506 5.998 -6.144 1.00 0.00 H new ATOM 977 N THR A 71 12.647 5.571 -3.668 1.00 0.00 N ATOM 978 CA THR A 71 12.696 4.365 -2.850 1.00 0.00 C ATOM 979 C THR A 71 11.448 3.513 -3.052 1.00 0.00 C ATOM 980 O THR A 71 10.325 3.982 -2.862 1.00 0.00 O ATOM 981 CB THR A 71 12.834 4.706 -1.354 1.00 0.00 C ATOM 982 OG1 THR A 71 13.990 5.525 -1.143 1.00 0.00 O ATOM 983 CG2 THR A 71 12.944 3.440 -0.519 1.00 0.00 C ATOM 0 H THR A 71 11.798 6.125 -3.553 1.00 0.00 H new ATOM 0 HA THR A 71 13.573 3.802 -3.169 1.00 0.00 H new ATOM 0 HB THR A 71 11.942 5.250 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.955 6.301 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.041 3.706 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.050 2.833 -0.659 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.821 2.873 -0.832 1.00 0.00 H new ATOM 991 N THR A 72 11.651 2.257 -3.438 1.00 0.00 N ATOM 992 CA THR A 72 10.542 1.339 -3.666 1.00 0.00 C ATOM 993 C THR A 72 9.904 0.910 -2.350 1.00 0.00 C ATOM 994 O THR A 72 10.601 0.600 -1.384 1.00 0.00 O ATOM 995 CB THR A 72 11.000 0.086 -4.435 1.00 0.00 C ATOM 996 OG1 THR A 72 11.698 0.469 -5.625 1.00 0.00 O ATOM 997 CG2 THR A 72 9.810 -0.790 -4.799 1.00 0.00 C ATOM 0 H THR A 72 12.573 1.852 -3.599 1.00 0.00 H new ATOM 0 HA THR A 72 9.806 1.875 -4.265 1.00 0.00 H new ATOM 0 HB THR A 72 11.668 -0.485 -3.790 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.072 0.890 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.158 -1.669 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.298 -1.104 -3.890 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.121 -0.225 -5.427 1.00 0.00 H new ATOM 1005 N TYR A 73 8.576 0.893 -2.320 1.00 0.00 N ATOM 1006 CA TYR A 73 7.844 0.502 -1.120 1.00 0.00 C ATOM 1007 C TYR A 73 6.853 -0.616 -1.427 1.00 0.00 C ATOM 1008 O TYR A 73 6.003 -0.485 -2.309 1.00 0.00 O ATOM 1009 CB TYR A 73 7.106 1.706 -0.534 1.00 0.00 C ATOM 1010 CG TYR A 73 7.921 2.484 0.474 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.931 3.347 0.063 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.684 2.356 1.837 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.679 4.059 0.981 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.426 3.066 2.761 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.422 3.916 2.328 1.00 0.00 C ATOM 1016 OH TYR A 73 10.165 4.623 3.246 1.00 0.00 O ATOM 0 H TYR A 73 7.985 1.145 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 73 8.564 0.134 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.814 2.373 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.187 1.362 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.134 3.463 -0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.906 1.690 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.461 4.724 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.227 2.956 3.817 1.00 0.00 H new ATOM 0 HH TYR A 73 9.856 4.409 4.151 1.00 0.00 H new ATOM 1026 N THR A 74 6.968 -1.718 -0.693 1.00 0.00 N ATOM 1027 CA THR A 74 6.084 -2.861 -0.885 1.00 0.00 C ATOM 1028 C THR A 74 4.791 -2.695 -0.095 1.00 0.00 C ATOM 1029 O THR A 74 4.755 -2.930 1.113 1.00 0.00 O ATOM 1030 CB THR A 74 6.765 -4.176 -0.462 1.00 0.00 C ATOM 1031 OG1 THR A 74 7.961 -4.375 -1.224 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.829 -5.358 -0.659 1.00 0.00 C ATOM 0 H THR A 74 7.665 -1.843 0.041 1.00 0.00 H new ATOM 0 HA THR A 74 5.853 -2.906 -1.949 1.00 0.00 H new ATOM 0 HB THR A 74 7.017 -4.105 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.531 -5.032 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.332 -6.275 -0.353 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.933 -5.217 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.550 -5.430 -1.710 1.00 0.00 H new ATOM 1040 N VAL A 75 3.730 -2.288 -0.784 1.00 0.00 N ATOM 1041 CA VAL A 75 2.433 -2.092 -0.146 1.00 0.00 C ATOM 1042 C VAL A 75 1.686 -3.413 -0.003 1.00 0.00 C ATOM 1043 O VAL A 75 1.763 -4.279 -0.875 1.00 0.00 O ATOM 1044 CB VAL A 75 1.560 -1.105 -0.943 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.166 -1.019 -0.340 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.215 0.268 -0.989 1.00 0.00 C ATOM 0 H VAL A 75 3.743 -2.087 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 75 2.626 -1.678 0.844 1.00 0.00 H new ATOM 0 HB VAL A 75 1.466 -1.472 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.437 -0.317 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.302 -2.003 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.237 -0.675 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.585 0.953 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.340 0.646 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.190 0.190 -1.470 1.00 0.00 H new ATOM 1056 N ARG A 76 0.963 -3.561 1.102 1.00 0.00 N ATOM 1057 CA ARG A 76 0.202 -4.777 1.361 1.00 0.00 C ATOM 1058 C ARG A 76 -1.220 -4.445 1.803 1.00 0.00 C ATOM 1059 O ARG A 76 -1.438 -3.948 2.908 1.00 0.00 O ATOM 1060 CB ARG A 76 0.896 -5.621 2.431 1.00 0.00 C ATOM 1061 CG ARG A 76 0.643 -7.113 2.290 1.00 0.00 C ATOM 1062 CD ARG A 76 1.547 -7.921 3.207 1.00 0.00 C ATOM 1063 NE ARG A 76 0.938 -8.146 4.516 1.00 0.00 N ATOM 1064 CZ ARG A 76 1.632 -8.441 5.609 1.00 0.00 C ATOM 1065 NH1 ARG A 76 2.953 -8.544 5.551 1.00 0.00 N ATOM 1066 NH2 ARG A 76 1.006 -8.631 6.763 1.00 0.00 N ATOM 0 H ARG A 76 0.888 -2.853 1.833 1.00 0.00 H new ATOM 0 HA ARG A 76 0.152 -5.348 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.970 -5.438 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.557 -5.295 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.400 -7.330 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.809 -7.415 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.771 -8.881 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.495 -7.399 3.333 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.076 -8.072 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.438 -8.397 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.484 -8.771 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.010 -8.551 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.540 -8.858 7.602 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.185 -4.723 0.932 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.587 -4.454 1.232 1.00 0.00 C ATOM 1082 C VAL A 77 -4.283 -5.701 1.767 1.00 0.00 C ATOM 1083 O VAL A 77 -4.537 -6.650 1.025 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.341 -3.952 -0.013 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.810 -3.724 0.308 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.700 -2.681 -0.548 1.00 0.00 C ATOM 0 H VAL A 77 -2.022 -5.134 0.013 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.604 -3.676 1.995 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.278 -4.717 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.327 -3.369 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.259 -4.660 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.898 -2.979 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.246 -2.341 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.730 -1.908 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.664 -2.883 -0.820 1.00 0.00 H new ATOM 1096 N THR A 78 -4.590 -5.691 3.060 1.00 0.00 N ATOM 1097 CA THR A 78 -5.257 -6.821 3.695 1.00 0.00 C ATOM 1098 C THR A 78 -6.762 -6.596 3.776 1.00 0.00 C ATOM 1099 O THR A 78 -7.223 -5.618 4.366 1.00 0.00 O ATOM 1100 CB THR A 78 -4.709 -7.071 5.114 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.278 -7.114 5.086 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.250 -8.375 5.680 1.00 0.00 C ATOM 0 H THR A 78 -4.388 -4.913 3.688 1.00 0.00 H new ATOM 0 HA THR A 78 -5.056 -7.696 3.076 1.00 0.00 H new ATOM 0 HB THR A 78 -5.034 -6.252 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.922 -6.203 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.850 -8.531 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.338 -8.328 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.950 -9.203 5.037 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.524 -7.508 3.183 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.979 -7.409 3.188 1.00 0.00 C ATOM 1112 C CYS A 79 -9.599 -8.546 3.994 1.00 0.00 C ATOM 1113 O CYS A 79 -9.915 -9.606 3.452 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.518 -7.431 1.756 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.907 -6.083 0.717 1.00 0.00 S ATOM 0 H CYS A 79 -7.159 -8.324 2.693 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.252 -6.464 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.252 -8.381 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.607 -7.386 1.788 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.416 -6.188 -0.474 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.768 -8.319 5.292 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.348 -9.325 6.175 1.00 0.00 C ATOM 1123 C LEU A 80 -11.871 -9.308 6.094 1.00 0.00 C ATOM 1124 O LEU A 80 -12.530 -8.508 6.759 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.901 -9.085 7.618 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.512 -9.609 7.986 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -7.930 -8.812 9.143 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -8.575 -11.089 8.333 1.00 0.00 C ATOM 0 H LEU A 80 -9.512 -7.448 5.756 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.996 -10.304 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.926 -8.013 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.630 -9.546 8.285 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.858 -9.487 7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.942 -9.199 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.848 -7.763 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.583 -8.902 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.578 -11.445 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.244 -11.236 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.948 -11.648 7.475 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.425 -10.196 5.275 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.871 -10.282 5.107 1.00 0.00 C ATOM 1142 C TYR A 81 -14.547 -10.697 6.410 1.00 0.00 C ATOM 1143 O TYR A 81 -13.976 -11.406 7.238 1.00 0.00 O ATOM 1144 CB TYR A 81 -14.217 -11.280 4.000 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.401 -11.095 2.741 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.547 -9.958 1.955 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.482 -12.056 2.338 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.804 -9.786 0.803 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.733 -11.891 1.189 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.898 -10.755 0.425 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.154 -10.586 -0.721 1.00 0.00 O ATOM 0 H TYR A 81 -11.895 -10.866 4.718 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.239 -9.295 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.066 -12.292 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -15.275 -11.185 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.253 -9.196 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.351 -12.947 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.932 -8.898 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.022 -12.647 0.891 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.318 -11.091 -0.646 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.796 -10.244 6.597 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.580 -10.556 7.796 1.00 0.00 C ATOM 1163 C PRO A 82 -16.997 -12.021 7.851 1.00 0.00 C ATOM 1164 O PRO A 82 -17.158 -12.590 8.930 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.809 -9.654 7.660 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.941 -9.411 6.196 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.540 -9.395 5.651 1.00 0.00 C ATOM 0 HA PRO A 82 -16.011 -10.389 8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.700 -10.135 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.677 -8.720 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.535 -10.193 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.446 -8.465 6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.499 -9.792 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.135 -8.384 5.614 1.00 0.00 H new ATOM 1207 N SER A 87 -7.909 -11.729 2.621 1.00 0.00 N ATOM 1208 CA SER A 87 -7.113 -11.536 1.415 1.00 0.00 C ATOM 1209 C SER A 87 -5.900 -10.655 1.699 1.00 0.00 C ATOM 1210 O SER A 87 -5.768 -10.092 2.786 1.00 0.00 O ATOM 1211 CB SER A 87 -7.966 -10.908 0.311 1.00 0.00 C ATOM 1212 OG SER A 87 -8.663 -11.900 -0.422 1.00 0.00 O ATOM 0 HA SER A 87 -6.761 -12.512 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.678 -10.209 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.330 -10.334 -0.362 1.00 0.00 H new ATOM 0 HG SER A 87 -8.925 -12.628 0.180 1.00 0.00 H new ATOM 1218 N THR A 88 -5.016 -10.541 0.713 1.00 0.00 N ATOM 1219 CA THR A 88 -3.813 -9.731 0.856 1.00 0.00 C ATOM 1220 C THR A 88 -3.164 -9.467 -0.498 1.00 0.00 C ATOM 1221 O THR A 88 -2.682 -10.389 -1.158 1.00 0.00 O ATOM 1222 CB THR A 88 -2.785 -10.410 1.781 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.371 -10.663 3.062 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.548 -9.540 1.946 1.00 0.00 C ATOM 0 H THR A 88 -5.111 -10.999 -0.193 1.00 0.00 H new ATOM 0 HA THR A 88 -4.121 -8.784 1.300 1.00 0.00 H new ATOM 0 HB THR A 88 -2.487 -11.354 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.098 -10.025 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.837 -10.040 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.088 -9.374 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.832 -8.582 2.381 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.154 -8.203 -0.907 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.563 -7.817 -2.184 1.00 0.00 C ATOM 1234 C LEU A 89 -1.173 -7.221 -1.983 1.00 0.00 C ATOM 1235 O LEU A 89 -1.020 -6.168 -1.363 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.463 -6.809 -2.901 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.732 -7.377 -3.537 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -5.830 -6.324 -3.569 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.442 -7.890 -4.940 1.00 0.00 C ATOM 0 H LEU A 89 -3.548 -7.428 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.469 -8.713 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.752 -6.038 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.878 -6.319 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.077 -8.214 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.726 -6.746 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.057 -6.004 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.495 -5.467 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.357 -8.291 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.073 -7.071 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.689 -8.676 -4.891 1.00 0.00 H new ATOM 1251 N THR A 90 -0.161 -7.901 -2.513 1.00 0.00 N ATOM 1252 CA THR A 90 1.216 -7.439 -2.392 1.00 0.00 C ATOM 1253 C THR A 90 1.692 -6.786 -3.685 1.00 0.00 C ATOM 1254 O THR A 90 1.622 -7.386 -4.757 1.00 0.00 O ATOM 1255 CB THR A 90 2.168 -8.597 -2.035 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.008 -9.669 -2.971 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.899 -9.103 -0.626 1.00 0.00 C ATOM 0 H THR A 90 -0.269 -8.773 -3.030 1.00 0.00 H new ATOM 0 HA THR A 90 1.233 -6.703 -1.588 1.00 0.00 H new ATOM 0 HB THR A 90 3.191 -8.225 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.750 -9.306 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.583 -9.920 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.050 -8.292 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.871 -9.460 -0.558 1.00 0.00 H new ATOM 1265 N GLY A 91 2.177 -5.553 -3.576 1.00 0.00 N ATOM 1266 CA GLY A 91 2.658 -4.839 -4.745 1.00 0.00 C ATOM 1267 C GLY A 91 3.943 -4.082 -4.473 1.00 0.00 C ATOM 1268 O GLY A 91 4.652 -4.375 -3.511 1.00 0.00 O ATOM 0 H GLY A 91 2.246 -5.036 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.822 -5.547 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.892 -4.140 -5.081 1.00 0.00 H new ATOM 1272 N ARG A 92 4.244 -3.107 -5.325 1.00 0.00 N ATOM 1273 CA ARG A 92 5.455 -2.308 -5.174 1.00 0.00 C ATOM 1274 C ARG A 92 5.321 -0.976 -5.905 1.00 0.00 C ATOM 1275 O ARG A 92 4.948 -0.933 -7.077 1.00 0.00 O ATOM 1276 CB ARG A 92 6.667 -3.075 -5.706 1.00 0.00 C ATOM 1277 CG ARG A 92 6.962 -4.355 -4.941 1.00 0.00 C ATOM 1278 CD ARG A 92 8.194 -5.059 -5.487 1.00 0.00 C ATOM 1279 NE ARG A 92 8.448 -6.325 -4.806 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.077 -6.419 -3.639 1.00 0.00 C ATOM 1281 NH1 ARG A 92 9.513 -5.326 -3.028 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.270 -7.607 -3.082 1.00 0.00 N ATOM 0 H ARG A 92 3.667 -2.851 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 92 5.599 -2.107 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.500 -3.319 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.543 -2.427 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.111 -4.124 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.103 -5.023 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.064 -5.241 -6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.062 -4.408 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 92 8.125 -7.185 -5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.366 -4.411 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.995 -5.400 -2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.936 -8.450 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.753 -7.678 -2.186 1.00 0.00 H new ATOM 1296 N VAL A 93 5.627 0.111 -5.203 1.00 0.00 N ATOM 1297 CA VAL A 93 5.542 1.446 -5.785 1.00 0.00 C ATOM 1298 C VAL A 93 6.830 2.228 -5.556 1.00 0.00 C ATOM 1299 O VAL A 93 7.276 2.394 -4.420 1.00 0.00 O ATOM 1300 CB VAL A 93 4.360 2.240 -5.198 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.440 2.270 -3.679 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.332 3.651 -5.766 1.00 0.00 C ATOM 0 H VAL A 93 5.936 0.093 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 93 5.386 1.315 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 93 3.433 1.741 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.597 2.835 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.408 1.251 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.372 2.745 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.491 4.198 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.261 4.163 -5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.224 3.605 -6.850 1.00 0.00 H new ATOM 1312 N THR A 94 7.426 2.709 -6.644 1.00 0.00 N ATOM 1313 CA THR A 94 8.663 3.474 -6.562 1.00 0.00 C ATOM 1314 C THR A 94 8.380 4.964 -6.413 1.00 0.00 C ATOM 1315 O THR A 94 7.960 5.625 -7.363 1.00 0.00 O ATOM 1316 CB THR A 94 9.544 3.252 -7.807 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.870 1.864 -7.936 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.822 4.072 -7.719 1.00 0.00 C ATOM 0 H THR A 94 7.071 2.582 -7.592 1.00 0.00 H new ATOM 0 HA THR A 94 9.196 3.119 -5.680 1.00 0.00 H new ATOM 0 HB THR A 94 8.983 3.576 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.429 1.732 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.427 3.899 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.571 5.131 -7.651 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.385 3.775 -6.834 1.00 0.00 H new ATOM 1326 N THR A 95 8.613 5.489 -5.214 1.00 0.00 N ATOM 1327 CA THR A 95 8.382 6.902 -4.940 1.00 0.00 C ATOM 1328 C THR A 95 9.183 7.784 -5.891 1.00 0.00 C ATOM 1329 O THR A 95 10.197 7.358 -6.444 1.00 0.00 O ATOM 1330 CB THR A 95 8.753 7.261 -3.489 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.965 6.595 -3.115 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.637 6.870 -2.532 1.00 0.00 C ATOM 0 H THR A 95 8.962 4.957 -4.417 1.00 0.00 H new ATOM 0 HA THR A 95 7.318 7.083 -5.090 1.00 0.00 H new ATOM 0 HB THR A 95 8.898 8.340 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.319 6.997 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.922 7.133 -1.513 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.724 7.400 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.464 5.796 -2.594 1.00 0.00 H new ATOM 1340 N LYS A 96 8.722 9.016 -6.077 1.00 0.00 N ATOM 1341 CA LYS A 96 9.396 9.961 -6.959 1.00 0.00 C ATOM 1342 C LYS A 96 10.611 10.575 -6.272 1.00 0.00 C ATOM 1343 O LYS A 96 10.794 10.430 -5.063 1.00 0.00 O ATOM 1344 CB LYS A 96 8.429 11.065 -7.392 1.00 0.00 C ATOM 1345 CG LYS A 96 7.129 10.541 -7.977 1.00 0.00 C ATOM 1346 CD LYS A 96 6.479 11.562 -8.896 1.00 0.00 C ATOM 1347 CE LYS A 96 5.528 10.899 -9.881 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.714 11.900 -10.625 1.00 0.00 N ATOM 0 H LYS A 96 7.883 9.384 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 96 9.736 9.418 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.202 11.696 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.921 11.698 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.323 9.623 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.442 10.287 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.935 12.295 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.250 12.105 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.099 10.297 -10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.866 10.219 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.079 11.409 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.150 12.458 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.344 12.534 -11.157 1.00 0.00 H new ATOM 1362 N LYS A 97 11.441 11.263 -7.051 1.00 0.00 N ATOM 1363 CA LYS A 97 12.638 11.902 -6.517 1.00 0.00 C ATOM 1364 C LYS A 97 12.280 13.165 -5.740 1.00 0.00 C ATOM 1365 O LYS A 97 11.476 13.978 -6.196 1.00 0.00 O ATOM 1366 CB LYS A 97 13.606 12.246 -7.652 1.00 0.00 C ATOM 1367 CG LYS A 97 14.514 11.094 -8.046 1.00 0.00 C ATOM 1368 CD LYS A 97 13.768 10.046 -8.854 1.00 0.00 C ATOM 1369 CE LYS A 97 13.611 10.469 -10.306 1.00 0.00 C ATOM 1370 NZ LYS A 97 12.355 11.239 -10.527 1.00 0.00 N ATOM 0 H LYS A 97 11.306 11.392 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 97 13.120 11.202 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.033 12.561 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.220 13.095 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.353 11.474 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.930 10.635 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.304 9.098 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.785 9.878 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.466 11.077 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.612 9.585 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.016 11.080 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.631 10.923 -9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.540 12.253 -10.387 1.00 0.00 H new ATOM 1384 N ALA A 98 12.883 13.323 -4.567 1.00 0.00 N ATOM 1385 CA ALA A 98 12.630 14.488 -3.728 1.00 0.00 C ATOM 1386 C ALA A 98 13.389 15.707 -4.240 1.00 0.00 C ATOM 1387 O ALA A 98 14.530 15.613 -4.694 1.00 0.00 O ATOM 1388 CB ALA A 98 13.012 14.193 -2.285 1.00 0.00 C ATOM 0 H ALA A 98 13.551 12.659 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 98 11.564 14.712 -3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.818 15.072 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.421 13.354 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.071 13.941 -2.233 1.00 0.00 H new