USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 579 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 23 THR OG1 : rot 150:sc= -3.42! USER MOD Set 1.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 26 GLN : amide:sc= -6.52! C(o=-9.9!,f=-5.3!) USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.046 USER MOD Single : A 8 THR OG1 : rot -59:sc= 0.312 USER MOD Single : A 15 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.052) USER MOD Single : A 16 ASN : amide:sc= -6.02! K(o=-6!,f=-2) USER MOD Single : A 29 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -24:sc= 0.521 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -17.2! C(o=-17!,f=-13!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -8.27! C(o=-8.3!,f=-2.4!) USER MOD Single : B 16 ASN : amide:sc= -4.04! K(o=-4!,f=-0.97) USER MOD Single : B 23 THR OG1 : rot 180:sc= -0.65 USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= -1.37 K(o=-1.4,f=0) USER MOD Single : B 29 ASN : amide:sc= -1.86! C(o=-1.9!,f=-4.5!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0.23 (180deg=0.23) USER MOD Single : B 37 THR OG1 : rot -37:sc= 0.933 USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 11.157 -5.199 0.752 1.00 0.00 N ATOM 75 CA THR A 6 10.631 -4.775 2.043 1.00 0.00 C ATOM 76 C THR A 6 9.301 -4.047 1.882 1.00 0.00 C ATOM 77 O THR A 6 8.818 -3.855 0.766 1.00 0.00 O ATOM 78 CB THR A 6 11.622 -3.851 2.777 1.00 0.00 C ATOM 79 OG1 THR A 6 12.861 -4.537 2.997 1.00 0.00 O ATOM 80 CG2 THR A 6 11.048 -3.392 4.110 1.00 0.00 C ATOM 0 HA THR A 6 10.480 -5.678 2.635 1.00 0.00 H new ATOM 0 HB THR A 6 11.798 -2.975 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.991 -5.210 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.765 -2.741 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.120 -2.846 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.847 -4.260 4.738 1.00 0.00 H new ATOM 88 N CYS A 7 8.713 -3.643 3.004 1.00 0.00 N ATOM 89 CA CYS A 7 7.436 -2.938 2.985 1.00 0.00 C ATOM 90 C CYS A 7 7.619 -1.468 3.351 1.00 0.00 C ATOM 91 O CYS A 7 6.648 -0.759 3.615 1.00 0.00 O ATOM 92 CB CYS A 7 6.452 -3.597 3.953 1.00 0.00 C ATOM 93 SG CYS A 7 6.041 -5.323 3.537 1.00 0.00 S ATOM 0 H CYS A 7 9.100 -3.791 3.936 1.00 0.00 H new ATOM 0 HA CYS A 7 7.034 -2.994 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.873 -3.567 4.958 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.533 -3.011 3.975 1.00 0.00 H new ATOM 98 N THR A 8 8.869 -1.015 3.362 1.00 0.00 N ATOM 99 CA THR A 8 9.176 0.372 3.689 1.00 0.00 C ATOM 100 C THR A 8 9.427 1.192 2.428 1.00 0.00 C ATOM 101 O THR A 8 10.529 1.698 2.215 1.00 0.00 O ATOM 102 CB THR A 8 10.407 0.473 4.608 1.00 0.00 C ATOM 103 OG1 THR A 8 10.684 1.846 4.909 1.00 0.00 O ATOM 104 CG2 THR A 8 11.623 -0.164 3.955 1.00 0.00 C ATOM 0 H THR A 8 9.685 -1.589 3.148 1.00 0.00 H new ATOM 0 HA THR A 8 8.308 0.773 4.212 1.00 0.00 H new ATOM 0 HB THR A 8 10.188 -0.063 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.855 2.335 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.480 -0.080 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.420 -1.216 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.842 0.347 3.018 1.00 0.00 H new ATOM 112 N VAL A 9 8.399 1.319 1.595 1.00 0.00 N ATOM 113 CA VAL A 9 8.509 2.079 0.355 1.00 0.00 C ATOM 114 C VAL A 9 8.047 3.520 0.549 1.00 0.00 C ATOM 115 O VAL A 9 7.382 3.842 1.532 1.00 0.00 O ATOM 116 CB VAL A 9 7.680 1.436 -0.773 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.808 2.242 -2.056 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.110 -0.006 -0.995 1.00 0.00 C ATOM 0 H VAL A 9 7.481 0.906 1.756 1.00 0.00 H new ATOM 0 HA VAL A 9 9.562 2.072 0.073 1.00 0.00 H new ATOM 0 HB VAL A 9 6.632 1.437 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.216 1.772 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.447 3.256 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.854 2.276 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.514 -0.444 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.164 -0.033 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.961 -0.576 -0.078 1.00 0.00 H new ATOM 128 N ALA A 10 8.403 4.381 -0.399 1.00 0.00 N ATOM 129 CA ALA A 10 8.018 5.787 -0.338 1.00 0.00 C ATOM 130 C ALA A 10 6.634 6.002 -0.942 1.00 0.00 C ATOM 131 O ALA A 10 6.292 5.404 -1.962 1.00 0.00 O ATOM 132 CB ALA A 10 9.048 6.647 -1.053 1.00 0.00 C ATOM 0 H ALA A 10 8.957 4.130 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 10 7.979 6.084 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.748 7.694 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.020 6.523 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.115 6.342 -2.097 1.00 0.00 H new ATOM 138 N PRO A 11 5.820 6.859 -0.309 1.00 0.00 N ATOM 139 CA PRO A 11 4.460 7.147 -0.767 1.00 0.00 C ATOM 140 C PRO A 11 4.376 7.305 -2.280 1.00 0.00 C ATOM 141 O PRO A 11 3.400 6.886 -2.904 1.00 0.00 O ATOM 142 CB PRO A 11 4.141 8.466 -0.068 1.00 0.00 C ATOM 143 CG PRO A 11 4.912 8.407 1.206 1.00 0.00 C ATOM 144 CD PRO A 11 6.162 7.615 0.911 1.00 0.00 C ATOM 0 HA PRO A 11 3.764 6.341 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.441 9.320 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.072 8.568 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.161 9.409 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.327 7.930 1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.020 8.267 0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.418 6.949 1.735 1.00 0.00 H new ATOM 152 N ARG A 12 5.405 7.904 -2.868 1.00 0.00 N ATOM 153 CA ARG A 12 5.452 8.094 -4.313 1.00 0.00 C ATOM 154 C ARG A 12 6.126 6.906 -4.993 1.00 0.00 C ATOM 155 O ARG A 12 5.824 6.583 -6.141 1.00 0.00 O ATOM 156 CB ARG A 12 6.187 9.392 -4.659 1.00 0.00 C ATOM 157 CG ARG A 12 7.644 9.411 -4.223 1.00 0.00 C ATOM 158 CD ARG A 12 8.471 8.394 -4.992 1.00 0.00 C ATOM 159 NE ARG A 12 8.450 8.647 -6.430 1.00 0.00 N ATOM 160 CZ ARG A 12 8.790 7.742 -7.342 1.00 0.00 C ATOM 161 NH1 ARG A 12 9.168 6.528 -6.966 1.00 0.00 N ATOM 162 NH2 ARG A 12 8.749 8.051 -8.631 1.00 0.00 N ATOM 0 H ARG A 12 6.217 8.266 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 12 4.428 8.164 -4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.138 9.549 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.667 10.228 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.057 10.408 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.708 9.200 -3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.500 8.419 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.089 7.392 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 12 8.158 9.570 -6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.198 6.287 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.429 5.835 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.456 8.984 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.010 7.356 -9.331 1.00 0.00 H new ATOM 176 N GLU A 13 7.043 6.262 -4.276 1.00 0.00 N ATOM 177 CA GLU A 13 7.768 5.117 -4.814 1.00 0.00 C ATOM 178 C GLU A 13 6.932 3.845 -4.714 1.00 0.00 C ATOM 179 O GLU A 13 7.264 2.823 -5.314 1.00 0.00 O ATOM 180 CB GLU A 13 9.092 4.930 -4.069 1.00 0.00 C ATOM 181 CG GLU A 13 10.015 6.133 -4.157 1.00 0.00 C ATOM 182 CD GLU A 13 11.325 5.919 -3.423 1.00 0.00 C ATOM 183 OE1 GLU A 13 11.331 5.168 -2.426 1.00 0.00 O ATOM 184 OE2 GLU A 13 12.345 6.503 -3.846 1.00 0.00 O ATOM 0 H GLU A 13 7.301 6.514 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 13 7.974 5.312 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.882 4.719 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.606 4.058 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.222 6.352 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.509 7.005 -3.743 1.00 0.00 H new ATOM 191 N ARG A 14 5.850 3.913 -3.945 1.00 0.00 N ATOM 192 CA ARG A 14 4.974 2.763 -3.754 1.00 0.00 C ATOM 193 C ARG A 14 4.172 2.469 -5.017 1.00 0.00 C ATOM 194 O ARG A 14 3.319 3.261 -5.420 1.00 0.00 O ATOM 195 CB ARG A 14 4.026 3.009 -2.579 1.00 0.00 C ATOM 196 CG ARG A 14 4.742 3.252 -1.262 1.00 0.00 C ATOM 197 CD ARG A 14 3.759 3.513 -0.132 1.00 0.00 C ATOM 198 NE ARG A 14 4.439 3.797 1.128 1.00 0.00 N ATOM 199 CZ ARG A 14 3.812 3.906 2.295 1.00 0.00 C ATOM 200 NH1 ARG A 14 2.497 3.751 2.361 1.00 0.00 N ATOM 201 NH2 ARG A 14 4.500 4.171 3.397 1.00 0.00 N ATOM 0 H ARG A 14 5.559 4.752 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 14 5.598 1.897 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.396 3.869 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.364 2.150 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.358 2.387 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.415 4.104 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.118 4.354 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.111 2.645 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 14 5.452 3.919 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.964 3.548 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.018 3.835 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.512 4.292 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.018 4.254 4.292 1.00 0.00 H new ATOM 215 N GLN A 15 4.447 1.326 -5.634 1.00 0.00 N ATOM 216 CA GLN A 15 3.740 0.920 -6.842 1.00 0.00 C ATOM 217 C GLN A 15 2.384 0.308 -6.498 1.00 0.00 C ATOM 218 O GLN A 15 2.288 -0.880 -6.195 1.00 0.00 O ATOM 219 CB GLN A 15 4.578 -0.083 -7.637 1.00 0.00 C ATOM 220 CG GLN A 15 3.907 -0.558 -8.915 1.00 0.00 C ATOM 221 CD GLN A 15 3.604 0.581 -9.870 1.00 0.00 C ATOM 222 OE1 GLN A 15 2.646 0.524 -10.640 1.00 0.00 O ATOM 223 NE2 GLN A 15 4.426 1.625 -9.824 1.00 0.00 N ATOM 0 H GLN A 15 5.155 0.664 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 15 3.575 1.808 -7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.535 0.374 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.792 -0.946 -7.006 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.552 -1.283 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.980 -1.074 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.208 1.630 -9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.274 2.421 -10.443 1.00 0.00 H new ATOM 232 N ASN A 16 1.342 1.132 -6.545 1.00 0.00 N ATOM 233 CA ASN A 16 -0.008 0.677 -6.230 1.00 0.00 C ATOM 234 C ASN A 16 -0.138 -0.830 -6.429 1.00 0.00 C ATOM 235 O ASN A 16 0.538 -1.415 -7.275 1.00 0.00 O ATOM 236 CB ASN A 16 -1.032 1.408 -7.101 1.00 0.00 C ATOM 237 CG ASN A 16 -2.455 0.970 -6.813 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.964 0.033 -7.427 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.105 1.650 -5.875 1.00 0.00 N ATOM 0 H ASN A 16 1.406 2.118 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.204 0.904 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.945 2.482 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.805 1.228 -8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.066 1.402 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.643 2.420 -5.391 1.00 0.00 H new ATOM 246 N CYS A 17 -1.016 -1.450 -5.648 1.00 0.00 N ATOM 247 CA CYS A 17 -1.250 -2.885 -5.747 1.00 0.00 C ATOM 248 C CYS A 17 -2.729 -3.198 -5.561 1.00 0.00 C ATOM 249 O CYS A 17 -3.130 -4.361 -5.515 1.00 0.00 O ATOM 250 CB CYS A 17 -0.421 -3.634 -4.703 1.00 0.00 C ATOM 251 SG CYS A 17 -0.688 -5.437 -4.695 1.00 0.00 S ATOM 0 H CYS A 17 -1.578 -0.980 -4.938 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.945 -3.214 -6.740 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.636 -3.435 -4.882 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.657 -3.238 -3.715 1.00 0.00 H new ATOM 256 N GLY A 18 -3.534 -2.148 -5.448 1.00 0.00 N ATOM 257 CA GLY A 18 -4.959 -2.320 -5.252 1.00 0.00 C ATOM 258 C GLY A 18 -5.674 -1.003 -5.030 1.00 0.00 C ATOM 259 O GLY A 18 -5.368 -0.004 -5.681 1.00 0.00 O ATOM 0 H GLY A 18 -3.223 -1.178 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.385 -2.820 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.129 -2.972 -4.395 1.00 0.00 H new ATOM 263 N PHE A 19 -6.626 -1.003 -4.105 1.00 0.00 N ATOM 264 CA PHE A 19 -7.380 0.201 -3.783 1.00 0.00 C ATOM 265 C PHE A 19 -6.932 0.780 -2.444 1.00 0.00 C ATOM 266 O PHE A 19 -6.216 0.129 -1.684 1.00 0.00 O ATOM 267 CB PHE A 19 -8.880 -0.101 -3.750 1.00 0.00 C ATOM 268 CG PHE A 19 -9.257 -1.178 -2.773 1.00 0.00 C ATOM 269 CD1 PHE A 19 -9.150 -2.515 -3.121 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.720 -0.854 -1.509 1.00 0.00 C ATOM 271 CE1 PHE A 19 -9.496 -3.509 -2.225 1.00 0.00 C ATOM 272 CE2 PHE A 19 -10.069 -1.843 -0.609 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.957 -3.172 -0.968 1.00 0.00 C ATOM 0 H PHE A 19 -6.894 -1.825 -3.564 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.186 0.940 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.420 0.812 -3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.204 -0.398 -4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.792 -2.784 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.809 0.184 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.406 -4.547 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.429 -1.577 0.374 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.230 -3.946 -0.266 1.00 0.00 H new ATOM 283 N PRO A 20 -7.351 2.019 -2.146 1.00 0.00 N ATOM 284 CA PRO A 20 -6.991 2.696 -0.895 1.00 0.00 C ATOM 285 C PRO A 20 -7.611 2.025 0.325 1.00 0.00 C ATOM 286 O PRO A 20 -6.959 1.866 1.357 1.00 0.00 O ATOM 287 CB PRO A 20 -7.556 4.107 -1.075 1.00 0.00 C ATOM 288 CG PRO A 20 -8.645 3.959 -2.081 1.00 0.00 C ATOM 289 CD PRO A 20 -8.207 2.855 -3.002 1.00 0.00 C ATOM 0 HA PRO A 20 -5.916 2.675 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.939 4.502 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.788 4.798 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.591 3.713 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.799 4.888 -2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.057 2.294 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.660 3.242 -3.862 1.00 0.00 H new ATOM 297 N GLY A 21 -8.874 1.631 0.201 1.00 0.00 N ATOM 298 CA GLY A 21 -9.561 0.980 1.300 1.00 0.00 C ATOM 299 C GLY A 21 -8.909 -0.330 1.699 1.00 0.00 C ATOM 300 O GLY A 21 -9.017 -0.762 2.846 1.00 0.00 O ATOM 0 H GLY A 21 -9.435 1.751 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.580 1.649 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.597 0.795 1.018 1.00 0.00 H new ATOM 304 N VAL A 22 -8.230 -0.963 0.748 1.00 0.00 N ATOM 305 CA VAL A 22 -7.561 -2.232 1.003 1.00 0.00 C ATOM 306 C VAL A 22 -7.074 -2.319 2.446 1.00 0.00 C ATOM 307 O VAL A 22 -6.861 -1.299 3.102 1.00 0.00 O ATOM 308 CB VAL A 22 -6.363 -2.436 0.056 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.826 -2.467 -1.392 1.00 0.00 C ATOM 310 CG2 VAL A 22 -5.324 -1.345 0.267 1.00 0.00 C ATOM 0 H VAL A 22 -8.129 -0.617 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.296 -3.017 0.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.901 -3.396 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.966 -2.612 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.530 -3.287 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.314 -1.524 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.485 -1.505 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.772 -0.372 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.969 -1.375 1.297 1.00 0.00 H new ATOM 320 N THR A 23 -6.904 -3.543 2.935 1.00 0.00 N ATOM 321 CA THR A 23 -6.446 -3.763 4.302 1.00 0.00 C ATOM 322 C THR A 23 -5.199 -4.640 4.330 1.00 0.00 C ATOM 323 O THR A 23 -4.775 -5.164 3.301 1.00 0.00 O ATOM 324 CB THR A 23 -7.540 -4.421 5.162 1.00 0.00 C ATOM 325 OG1 THR A 23 -7.902 -5.692 4.609 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.772 -3.532 5.247 1.00 0.00 C ATOM 0 H THR A 23 -7.076 -4.397 2.405 1.00 0.00 H new ATOM 0 HA THR A 23 -6.208 -2.783 4.716 1.00 0.00 H new ATOM 0 HB THR A 23 -7.142 -4.562 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.190 -6.292 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.530 -4.019 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.501 -2.577 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.168 -3.363 4.246 1.00 0.00 H new ATOM 334 N PRO A 24 -4.599 -4.807 5.517 1.00 0.00 N ATOM 335 CA PRO A 24 -3.392 -5.624 5.688 1.00 0.00 C ATOM 336 C PRO A 24 -3.586 -7.054 5.194 1.00 0.00 C ATOM 337 O PRO A 24 -2.724 -7.607 4.510 1.00 0.00 O ATOM 338 CB PRO A 24 -3.159 -5.611 7.203 1.00 0.00 C ATOM 339 CG PRO A 24 -3.864 -4.391 7.689 1.00 0.00 C ATOM 340 CD PRO A 24 -5.050 -4.213 6.786 1.00 0.00 C ATOM 0 HA PRO A 24 -2.553 -5.233 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.558 -6.511 7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.096 -5.573 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.177 -4.508 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.209 -3.520 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.933 -4.719 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.312 -3.162 6.668 1.00 0.00 H new ATOM 348 N SER A 25 -4.720 -7.649 5.550 1.00 0.00 N ATOM 349 CA SER A 25 -5.020 -9.020 5.156 1.00 0.00 C ATOM 350 C SER A 25 -5.430 -9.091 3.688 1.00 0.00 C ATOM 351 O SER A 25 -5.056 -10.021 2.973 1.00 0.00 O ATOM 352 CB SER A 25 -6.134 -9.592 6.035 1.00 0.00 C ATOM 353 OG SER A 25 -7.322 -8.827 5.917 1.00 0.00 O ATOM 0 H SER A 25 -5.446 -7.203 6.111 1.00 0.00 H new ATOM 0 HA SER A 25 -4.116 -9.614 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.333 -10.625 5.749 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.809 -9.607 7.075 1.00 0.00 H new ATOM 0 HG SER A 25 -8.019 -9.214 6.487 1.00 0.00 H new ATOM 359 N GLN A 26 -6.204 -8.106 3.245 1.00 0.00 N ATOM 360 CA GLN A 26 -6.674 -8.065 1.865 1.00 0.00 C ATOM 361 C GLN A 26 -5.515 -7.828 0.902 1.00 0.00 C ATOM 362 O GLN A 26 -5.476 -8.397 -0.189 1.00 0.00 O ATOM 363 CB GLN A 26 -7.726 -6.968 1.695 1.00 0.00 C ATOM 364 CG GLN A 26 -8.952 -7.159 2.572 1.00 0.00 C ATOM 365 CD GLN A 26 -9.985 -6.068 2.375 1.00 0.00 C ATOM 366 OE1 GLN A 26 -10.874 -6.182 1.531 1.00 0.00 O ATOM 367 NE2 GLN A 26 -9.874 -5.000 3.157 1.00 0.00 N ATOM 0 H GLN A 26 -6.519 -7.326 3.821 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.124 -9.030 1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.273 -6.003 1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.038 -6.934 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.404 -8.126 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.646 -7.180 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.122 -4.947 3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.541 -4.233 3.071 1.00 0.00 H new ATOM 376 N CYS A 27 -4.575 -6.983 1.312 1.00 0.00 N ATOM 377 CA CYS A 27 -3.418 -6.666 0.484 1.00 0.00 C ATOM 378 C CYS A 27 -2.341 -7.738 0.619 1.00 0.00 C ATOM 379 O CYS A 27 -1.856 -8.274 -0.378 1.00 0.00 O ATOM 380 CB CYS A 27 -2.847 -5.302 0.871 1.00 0.00 C ATOM 381 SG CYS A 27 -1.419 -4.779 -0.132 1.00 0.00 S ATOM 0 H CYS A 27 -4.592 -6.505 2.213 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.745 -6.634 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.634 -4.553 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.550 -5.329 1.919 1.00 0.00 H new ATOM 386 N ALA A 28 -1.974 -8.046 1.858 1.00 0.00 N ATOM 387 CA ALA A 28 -0.959 -9.059 2.123 1.00 0.00 C ATOM 388 C ALA A 28 -1.366 -10.408 1.541 1.00 0.00 C ATOM 389 O ALA A 28 -0.529 -11.158 1.042 1.00 0.00 O ATOM 390 CB ALA A 28 -0.713 -9.180 3.620 1.00 0.00 C ATOM 0 H ALA A 28 -2.363 -7.610 2.694 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.034 -8.748 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.047 -9.940 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.370 -8.222 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.639 -9.465 4.119 1.00 0.00 H new ATOM 396 N ASN A 29 -2.660 -10.708 1.608 1.00 0.00 N ATOM 397 CA ASN A 29 -3.179 -11.965 1.081 1.00 0.00 C ATOM 398 C ASN A 29 -2.782 -12.147 -0.380 1.00 0.00 C ATOM 399 O ASN A 29 -2.848 -13.252 -0.919 1.00 0.00 O ATOM 400 CB ASN A 29 -4.703 -12.008 1.216 1.00 0.00 C ATOM 401 CG ASN A 29 -5.293 -13.298 0.681 1.00 0.00 C ATOM 402 OD1 ASN A 29 -4.654 -14.349 0.714 1.00 0.00 O ATOM 403 ND2 ASN A 29 -6.523 -13.223 0.184 1.00 0.00 N ATOM 0 H ASN A 29 -3.366 -10.099 2.021 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.746 -12.780 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.976 -11.894 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.137 -11.163 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.974 -14.058 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.016 -12.330 0.177 1.00 0.00 H new ATOM 410 N LYS A 30 -2.369 -11.055 -1.016 1.00 0.00 N ATOM 411 CA LYS A 30 -1.961 -11.095 -2.415 1.00 0.00 C ATOM 412 C LYS A 30 -0.441 -11.126 -2.536 1.00 0.00 C ATOM 413 O LYS A 30 0.101 -11.569 -3.548 1.00 0.00 O ATOM 414 CB LYS A 30 -2.520 -9.885 -3.165 1.00 0.00 C ATOM 415 CG LYS A 30 -2.144 -9.855 -4.637 1.00 0.00 C ATOM 416 CD LYS A 30 -2.745 -8.650 -5.342 1.00 0.00 C ATOM 417 CE LYS A 30 -4.263 -8.660 -5.264 1.00 0.00 C ATOM 418 NZ LYS A 30 -4.862 -7.485 -5.956 1.00 0.00 N ATOM 0 H LYS A 30 -2.308 -10.133 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.362 -12.006 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.606 -9.883 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.159 -8.974 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.059 -9.832 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.488 -10.769 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.362 -7.735 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.433 -8.645 -6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.644 -9.578 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.573 -8.663 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.898 -7.529 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.519 -6.609 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.588 -7.496 -6.959 1.00 0.00 H new ATOM 432 N GLY A 31 0.242 -10.656 -1.496 1.00 0.00 N ATOM 433 CA GLY A 31 1.693 -10.656 -1.502 1.00 0.00 C ATOM 434 C GLY A 31 2.276 -9.277 -1.267 1.00 0.00 C ATOM 435 O GLY A 31 3.379 -9.144 -0.736 1.00 0.00 O ATOM 0 H GLY A 31 -0.183 -10.276 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.056 -11.336 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.049 -11.039 -2.458 1.00 0.00 H new ATOM 439 N CYS A 32 1.538 -8.247 -1.667 1.00 0.00 N ATOM 440 CA CYS A 32 1.996 -6.871 -1.506 1.00 0.00 C ATOM 441 C CYS A 32 2.026 -6.472 -0.035 1.00 0.00 C ATOM 442 O CYS A 32 1.690 -7.268 0.843 1.00 0.00 O ATOM 443 CB CYS A 32 1.093 -5.915 -2.286 1.00 0.00 C ATOM 444 SG CYS A 32 1.097 -6.189 -4.088 1.00 0.00 S ATOM 0 H CYS A 32 0.621 -8.338 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 32 3.010 -6.807 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.072 -6.014 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.407 -4.891 -2.085 1.00 0.00 H new ATOM 449 N CYS A 33 2.435 -5.235 0.226 1.00 0.00 N ATOM 450 CA CYS A 33 2.521 -4.727 1.590 1.00 0.00 C ATOM 451 C CYS A 33 1.407 -3.724 1.871 1.00 0.00 C ATOM 452 O CYS A 33 0.882 -3.090 0.956 1.00 0.00 O ATOM 453 CB CYS A 33 3.880 -4.067 1.826 1.00 0.00 C ATOM 454 SG CYS A 33 5.298 -5.197 1.653 1.00 0.00 S ATOM 0 H CYS A 33 2.713 -4.565 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 33 2.408 -5.571 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.998 -3.243 1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.893 -3.636 2.827 1.00 0.00 H new ATOM 459 N PHE A 34 1.057 -3.580 3.144 1.00 0.00 N ATOM 460 CA PHE A 34 0.024 -2.636 3.552 1.00 0.00 C ATOM 461 C PHE A 34 0.610 -1.532 4.428 1.00 0.00 C ATOM 462 O PHE A 34 1.380 -1.802 5.349 1.00 0.00 O ATOM 463 CB PHE A 34 -1.091 -3.362 4.307 1.00 0.00 C ATOM 464 CG PHE A 34 -2.194 -2.452 4.766 1.00 0.00 C ATOM 465 CD1 PHE A 34 -2.005 -1.604 5.846 1.00 0.00 C ATOM 466 CD2 PHE A 34 -3.419 -2.444 4.118 1.00 0.00 C ATOM 467 CE1 PHE A 34 -3.019 -0.765 6.270 1.00 0.00 C ATOM 468 CE2 PHE A 34 -4.435 -1.608 4.538 1.00 0.00 C ATOM 469 CZ PHE A 34 -4.235 -0.767 5.616 1.00 0.00 C ATOM 0 H PHE A 34 1.474 -4.106 3.912 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.391 -2.181 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.512 -4.134 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.663 -3.867 5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.056 -1.599 6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.581 -3.099 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.860 -0.108 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.385 -1.612 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.028 -0.113 5.946 1.00 0.00 H new ATOM 479 N ASP A 35 0.239 -0.290 4.135 1.00 0.00 N ATOM 480 CA ASP A 35 0.725 0.853 4.899 1.00 0.00 C ATOM 481 C ASP A 35 -0.203 2.052 4.733 1.00 0.00 C ATOM 482 O ASP A 35 -0.131 2.770 3.736 1.00 0.00 O ATOM 483 CB ASP A 35 2.142 1.223 4.458 1.00 0.00 C ATOM 484 CG ASP A 35 2.707 2.389 5.246 1.00 0.00 C ATOM 485 OD1 ASP A 35 2.513 3.545 4.816 1.00 0.00 O ATOM 486 OD2 ASP A 35 3.344 2.144 6.292 1.00 0.00 O ATOM 0 H ASP A 35 -0.396 -0.049 3.374 1.00 0.00 H new ATOM 0 HA ASP A 35 0.742 0.574 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.794 0.358 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.136 1.474 3.397 1.00 0.00 H new ATOM 491 N ASP A 36 -1.073 2.261 5.715 1.00 0.00 N ATOM 492 CA ASP A 36 -2.016 3.373 5.676 1.00 0.00 C ATOM 493 C ASP A 36 -1.487 4.564 6.468 1.00 0.00 C ATOM 494 O ASP A 36 -2.256 5.320 7.060 1.00 0.00 O ATOM 495 CB ASP A 36 -3.373 2.938 6.232 1.00 0.00 C ATOM 496 CG ASP A 36 -3.283 2.464 7.670 1.00 0.00 C ATOM 497 OD1 ASP A 36 -2.219 1.938 8.056 1.00 0.00 O ATOM 498 OD2 ASP A 36 -4.277 2.621 8.410 1.00 0.00 O ATOM 0 H ASP A 36 -1.145 1.676 6.547 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.138 3.677 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.072 3.772 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.777 2.137 5.613 1.00 0.00 H new ATOM 503 N THR A 37 -0.168 4.725 6.472 1.00 0.00 N ATOM 504 CA THR A 37 0.465 5.826 7.188 1.00 0.00 C ATOM 505 C THR A 37 0.635 7.043 6.285 1.00 0.00 C ATOM 506 O THR A 37 1.040 8.113 6.739 1.00 0.00 O ATOM 507 CB THR A 37 1.842 5.418 7.744 1.00 0.00 C ATOM 508 OG1 THR A 37 2.706 5.023 6.672 1.00 0.00 O ATOM 509 CG2 THR A 37 1.705 4.275 8.739 1.00 0.00 C ATOM 0 H THR A 37 0.483 4.107 5.988 1.00 0.00 H new ATOM 0 HA THR A 37 -0.192 6.081 8.019 1.00 0.00 H new ATOM 0 HB THR A 37 2.272 6.278 8.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.167 4.736 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.690 4.003 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.070 4.588 9.568 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.257 3.414 8.244 1.00 0.00 H new ATOM 517 N VAL A 38 0.325 6.871 5.005 1.00 0.00 N ATOM 518 CA VAL A 38 0.443 7.955 4.038 1.00 0.00 C ATOM 519 C VAL A 38 -0.810 8.062 3.177 1.00 0.00 C ATOM 520 O VAL A 38 -1.126 7.155 2.408 1.00 0.00 O ATOM 521 CB VAL A 38 1.666 7.760 3.122 1.00 0.00 C ATOM 522 CG1 VAL A 38 1.775 8.900 2.122 1.00 0.00 C ATOM 523 CG2 VAL A 38 2.938 7.642 3.949 1.00 0.00 C ATOM 0 H VAL A 38 -0.010 5.991 4.613 1.00 0.00 H new ATOM 0 HA VAL A 38 0.569 8.875 4.609 1.00 0.00 H new ATOM 0 HB VAL A 38 1.534 6.833 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.645 8.743 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.876 8.932 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.882 9.844 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.792 7.505 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.076 8.550 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.858 6.786 4.619 1.00 0.00 H new ATOM 533 N ARG A 39 -1.522 9.176 3.314 1.00 0.00 N ATOM 534 CA ARG A 39 -2.746 9.399 2.553 1.00 0.00 C ATOM 535 C ARG A 39 -2.428 9.828 1.124 1.00 0.00 C ATOM 536 O ARG A 39 -1.264 9.874 0.724 1.00 0.00 O ATOM 537 CB ARG A 39 -3.611 10.460 3.235 1.00 0.00 C ATOM 538 CG ARG A 39 -4.022 10.093 4.652 1.00 0.00 C ATOM 539 CD ARG A 39 -2.813 9.928 5.558 1.00 0.00 C ATOM 540 NE ARG A 39 -2.017 11.151 5.635 1.00 0.00 N ATOM 541 CZ ARG A 39 -1.101 11.375 6.570 1.00 0.00 C ATOM 542 NH1 ARG A 39 -0.868 10.465 7.507 1.00 0.00 N ATOM 543 NH2 ARG A 39 -0.415 12.511 6.571 1.00 0.00 N ATOM 0 H ARG A 39 -1.273 9.938 3.945 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.297 8.459 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.064 11.403 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.507 10.625 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.676 10.867 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.596 9.166 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.145 9.647 6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.191 9.113 5.188 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.174 11.873 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.393 9.591 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.164 10.640 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.591 13.214 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.288 12.681 7.290 1.00 0.00 H new ATOM 557 N GLY A 40 -3.468 10.144 0.360 1.00 0.00 N ATOM 558 CA GLY A 40 -3.279 10.571 -1.013 1.00 0.00 C ATOM 559 C GLY A 40 -2.792 9.449 -1.909 1.00 0.00 C ATOM 560 O GLY A 40 -3.160 9.378 -3.082 1.00 0.00 O ATOM 0 H GLY A 40 -4.440 10.112 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.220 10.959 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.561 11.390 -1.040 1.00 0.00 H new ATOM 564 N VAL A 41 -1.960 8.571 -1.358 1.00 0.00 N ATOM 565 CA VAL A 41 -1.421 7.449 -2.116 1.00 0.00 C ATOM 566 C VAL A 41 -2.059 6.134 -1.680 1.00 0.00 C ATOM 567 O VAL A 41 -2.694 6.060 -0.629 1.00 0.00 O ATOM 568 CB VAL A 41 0.106 7.343 -1.953 1.00 0.00 C ATOM 569 CG1 VAL A 41 0.787 8.610 -2.445 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.471 7.061 -0.503 1.00 0.00 C ATOM 0 H VAL A 41 -1.645 8.615 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.655 7.634 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 41 0.459 6.510 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.866 8.515 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.555 8.762 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.429 9.463 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.554 6.989 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.104 7.870 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.016 6.121 -0.190 1.00 0.00 H new ATOM 580 N PRO A 42 -1.894 5.079 -2.492 1.00 0.00 N ATOM 581 CA PRO A 42 -2.451 3.757 -2.195 1.00 0.00 C ATOM 582 C PRO A 42 -1.711 3.060 -1.060 1.00 0.00 C ATOM 583 O PRO A 42 -0.488 2.928 -1.091 1.00 0.00 O ATOM 584 CB PRO A 42 -2.262 2.993 -3.506 1.00 0.00 C ATOM 585 CG PRO A 42 -1.089 3.644 -4.154 1.00 0.00 C ATOM 586 CD PRO A 42 -1.150 5.096 -3.763 1.00 0.00 C ATOM 0 HA PRO A 42 -3.488 3.814 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.078 1.934 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.150 3.059 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.157 3.189 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.129 3.530 -5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.154 5.520 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.660 5.694 -4.518 1.00 0.00 H new ATOM 594 N TRP A 43 -2.458 2.615 -0.054 1.00 0.00 N ATOM 595 CA TRP A 43 -1.869 1.937 1.094 1.00 0.00 C ATOM 596 C TRP A 43 -1.306 0.578 0.692 1.00 0.00 C ATOM 597 O TRP A 43 -0.296 0.129 1.235 1.00 0.00 O ATOM 598 CB TRP A 43 -2.907 1.768 2.204 1.00 0.00 C ATOM 599 CG TRP A 43 -3.464 3.067 2.700 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.829 4.275 2.722 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.768 3.289 3.249 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.659 5.234 3.250 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.855 4.653 3.581 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.872 2.465 3.492 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.999 5.213 4.143 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -7.008 3.021 4.050 1.00 0.00 C ATOM 607 CH2 TRP A 43 -7.064 4.383 4.370 1.00 0.00 C ATOM 0 H TRP A 43 -3.472 2.712 -0.011 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.050 2.552 1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.724 1.148 1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.452 1.234 3.038 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.822 4.451 2.375 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.423 6.218 3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.837 1.413 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.045 6.263 4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.866 2.395 4.242 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.966 4.787 4.805 1.00 0.00 H new ATOM 618 N CYS A 44 -1.962 -0.071 -0.265 1.00 0.00 N ATOM 619 CA CYS A 44 -1.513 -1.370 -0.751 1.00 0.00 C ATOM 620 C CYS A 44 -0.571 -1.207 -1.939 1.00 0.00 C ATOM 621 O CYS A 44 -0.942 -0.639 -2.966 1.00 0.00 O ATOM 622 CB CYS A 44 -2.711 -2.231 -1.151 1.00 0.00 C ATOM 623 SG CYS A 44 -2.266 -3.893 -1.751 1.00 0.00 S ATOM 0 H CYS A 44 -2.805 0.281 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.973 -1.866 0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.375 -2.332 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.273 -1.714 -1.929 1.00 0.00 H new ATOM 628 N PHE A 45 0.652 -1.704 -1.790 1.00 0.00 N ATOM 629 CA PHE A 45 1.653 -1.599 -2.846 1.00 0.00 C ATOM 630 C PHE A 45 2.580 -2.810 -2.840 1.00 0.00 C ATOM 631 O PHE A 45 2.687 -3.517 -1.839 1.00 0.00 O ATOM 632 CB PHE A 45 2.468 -0.317 -2.677 1.00 0.00 C ATOM 633 CG PHE A 45 3.204 -0.243 -1.369 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.554 0.164 -0.215 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.546 -0.583 -1.293 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.228 0.232 0.990 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.225 -0.517 -0.091 1.00 0.00 C ATOM 638 CZ PHE A 45 4.564 -0.109 1.051 1.00 0.00 C ATOM 0 H PHE A 45 0.974 -2.183 -0.949 1.00 0.00 H new ATOM 0 HA PHE A 45 1.133 -1.568 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.186 -0.242 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.801 0.541 -2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.508 0.431 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.067 -0.903 -2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.710 0.551 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.270 -0.784 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.092 -0.057 1.991 1.00 0.00 H new ATOM 648 N TYR A 46 3.250 -3.041 -3.965 1.00 0.00 N ATOM 649 CA TYR A 46 4.171 -4.164 -4.089 1.00 0.00 C ATOM 650 C TYR A 46 5.394 -3.965 -3.198 1.00 0.00 C ATOM 651 O TYR A 46 5.649 -2.862 -2.716 1.00 0.00 O ATOM 652 CB TYR A 46 4.609 -4.332 -5.545 1.00 0.00 C ATOM 653 CG TYR A 46 3.461 -4.586 -6.497 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.779 -3.530 -7.090 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.061 -5.880 -6.803 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.730 -3.758 -7.959 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.013 -6.116 -7.672 1.00 0.00 C ATOM 658 CZ TYR A 46 1.351 -5.051 -8.248 1.00 0.00 C ATOM 659 OH TYR A 46 0.308 -5.282 -9.114 1.00 0.00 O ATOM 0 H TYR A 46 3.172 -2.465 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 46 3.651 -5.066 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.141 -3.435 -5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.314 -5.160 -5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.074 -2.515 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.578 -6.716 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.209 -2.926 -8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.714 -7.128 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 46 0.170 -6.248 -9.210 1.00 0.00 H new ATOM 669 N PRO A 47 6.164 -5.038 -2.973 1.00 0.00 N ATOM 670 CA PRO A 47 7.370 -4.986 -2.141 1.00 0.00 C ATOM 671 C PRO A 47 8.471 -4.139 -2.770 1.00 0.00 C ATOM 672 O PRO A 47 8.356 -3.707 -3.917 1.00 0.00 O ATOM 673 CB PRO A 47 7.807 -6.451 -2.050 1.00 0.00 C ATOM 674 CG PRO A 47 7.216 -7.101 -3.253 1.00 0.00 C ATOM 675 CD PRO A 47 5.920 -6.385 -3.515 1.00 0.00 C ATOM 0 HA PRO A 47 7.176 -4.526 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.893 -6.540 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.446 -6.915 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.886 -7.021 -4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.047 -8.164 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.685 -6.354 -4.579 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.082 -6.874 -3.017 1.00 0.00 H new ATOM 683 N ASN A 48 9.536 -3.903 -2.010 1.00 0.00 N ATOM 684 CA ASN A 48 10.651 -3.094 -2.490 1.00 0.00 C ATOM 685 C ASN A 48 11.986 -3.732 -2.119 1.00 0.00 C ATOM 686 O ASN A 48 12.298 -3.901 -0.940 1.00 0.00 O ATOM 687 CB ASN A 48 10.569 -1.682 -1.909 1.00 0.00 C ATOM 688 CG ASN A 48 10.622 -1.675 -0.393 1.00 0.00 C ATOM 689 OD1 ASN A 48 11.697 -1.597 0.200 1.00 0.00 O ATOM 690 ND2 ASN A 48 9.457 -1.757 0.239 1.00 0.00 N ATOM 0 H ASN A 48 9.650 -4.260 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 48 10.586 -3.038 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.391 -1.083 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.644 -1.210 -2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.429 -1.757 1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.590 -1.820 -0.295 1.00 0.00 H new ATOM 965 N CYS B 7 42.146 15.083 1.562 1.00 0.00 N ATOM 966 CA CYS B 7 43.568 14.911 1.831 1.00 0.00 C ATOM 967 C CYS B 7 44.183 13.877 0.894 1.00 0.00 C ATOM 968 O CYS B 7 45.335 13.477 1.065 1.00 0.00 O ATOM 969 CB CYS B 7 43.788 14.494 3.287 1.00 0.00 C ATOM 970 SG CYS B 7 43.218 15.722 4.505 1.00 0.00 S ATOM 0 HA CYS B 7 44.060 15.868 1.656 1.00 0.00 H new ATOM 0 HB2 CYS B 7 43.270 13.552 3.466 1.00 0.00 H new ATOM 0 HB3 CYS B 7 44.850 14.308 3.444 1.00 0.00 H new ATOM 975 N THR B 8 43.414 13.457 -0.105 1.00 0.00 N ATOM 976 CA THR B 8 43.899 12.501 -1.092 1.00 0.00 C ATOM 977 C THR B 8 44.714 13.203 -2.171 1.00 0.00 C ATOM 978 O THR B 8 44.249 13.385 -3.297 1.00 0.00 O ATOM 979 CB THR B 8 42.737 11.739 -1.756 1.00 0.00 C ATOM 980 OG1 THR B 8 43.247 10.803 -2.712 1.00 0.00 O ATOM 981 CG2 THR B 8 41.781 12.702 -2.442 1.00 0.00 C ATOM 0 H THR B 8 42.452 13.764 -0.252 1.00 0.00 H new ATOM 0 HA THR B 8 44.532 11.788 -0.563 1.00 0.00 H new ATOM 0 HB THR B 8 42.192 11.203 -0.979 1.00 0.00 H new ATOM 0 HG1 THR B 8 42.502 10.322 -3.128 1.00 0.00 H new ATOM 0 HG21 THR B 8 40.969 12.141 -2.904 1.00 0.00 H new ATOM 0 HG22 THR B 8 41.372 13.394 -1.706 1.00 0.00 H new ATOM 0 HG23 THR B 8 42.317 13.262 -3.208 1.00 0.00 H new ATOM 989 N VAL B 9 45.924 13.620 -1.813 1.00 0.00 N ATOM 990 CA VAL B 9 46.776 14.368 -2.728 1.00 0.00 C ATOM 991 C VAL B 9 47.932 13.514 -3.234 1.00 0.00 C ATOM 992 O VAL B 9 48.220 12.449 -2.685 1.00 0.00 O ATOM 993 CB VAL B 9 47.347 15.629 -2.054 1.00 0.00 C ATOM 994 CG1 VAL B 9 48.185 16.430 -3.038 1.00 0.00 C ATOM 995 CG2 VAL B 9 46.227 16.479 -1.479 1.00 0.00 C ATOM 0 H VAL B 9 46.336 13.452 -0.895 1.00 0.00 H new ATOM 0 HA VAL B 9 46.150 14.661 -3.571 1.00 0.00 H new ATOM 0 HB VAL B 9 47.994 15.319 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL B 9 48.579 17.317 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL B 9 49.012 15.816 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL B 9 47.565 16.732 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL B 9 46.649 17.366 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL B 9 45.552 16.781 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL B 9 45.675 15.901 -0.738 1.00 0.00 H new ATOM 1005 N ALA B 10 48.602 13.995 -4.275 1.00 0.00 N ATOM 1006 CA ALA B 10 49.756 13.301 -4.832 1.00 0.00 C ATOM 1007 C ALA B 10 51.053 13.832 -4.231 1.00 0.00 C ATOM 1008 O ALA B 10 51.337 15.027 -4.304 1.00 0.00 O ATOM 1009 CB ALA B 10 49.774 13.440 -6.347 1.00 0.00 C ATOM 0 H ALA B 10 48.365 14.865 -4.751 1.00 0.00 H new ATOM 0 HA ALA B 10 49.675 12.244 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA B 10 50.641 12.917 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA B 10 48.864 13.008 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA B 10 49.830 14.495 -6.615 1.00 0.00 H new ATOM 1015 N PRO B 11 51.849 12.945 -3.618 1.00 0.00 N ATOM 1016 CA PRO B 11 53.104 13.321 -2.969 1.00 0.00 C ATOM 1017 C PRO B 11 53.914 14.315 -3.795 1.00 0.00 C ATOM 1018 O PRO B 11 54.695 15.096 -3.253 1.00 0.00 O ATOM 1019 CB PRO B 11 53.840 11.988 -2.858 1.00 0.00 C ATOM 1020 CG PRO B 11 52.755 10.974 -2.719 1.00 0.00 C ATOM 1021 CD PRO B 11 51.577 11.500 -3.501 1.00 0.00 C ATOM 0 HA PRO B 11 52.942 13.822 -2.014 1.00 0.00 H new ATOM 0 HB2 PRO B 11 54.451 11.797 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO B 11 54.509 11.974 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO B 11 53.076 10.006 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO B 11 52.492 10.828 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO B 11 51.503 11.026 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO B 11 50.637 11.311 -2.983 1.00 0.00 H new ATOM 1029 N ARG B 12 53.723 14.279 -5.110 1.00 0.00 N ATOM 1030 CA ARG B 12 54.443 15.173 -6.010 1.00 0.00 C ATOM 1031 C ARG B 12 53.671 16.471 -6.223 1.00 0.00 C ATOM 1032 O ARG B 12 54.263 17.523 -6.468 1.00 0.00 O ATOM 1033 CB ARG B 12 54.691 14.487 -7.354 1.00 0.00 C ATOM 1034 CG ARG B 12 53.417 14.080 -8.077 1.00 0.00 C ATOM 1035 CD ARG B 12 53.720 13.419 -9.412 1.00 0.00 C ATOM 1036 NE ARG B 12 54.458 14.306 -10.306 1.00 0.00 N ATOM 1037 CZ ARG B 12 54.943 13.926 -11.484 1.00 0.00 C ATOM 1038 NH1 ARG B 12 54.769 12.681 -11.906 1.00 0.00 N ATOM 1039 NH2 ARG B 12 55.603 14.791 -12.242 1.00 0.00 N ATOM 0 H ARG B 12 53.077 13.642 -5.575 1.00 0.00 H new ATOM 0 HA ARG B 12 55.402 15.414 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG B 12 55.263 15.158 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG B 12 55.305 13.601 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG B 12 52.846 13.394 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG B 12 52.793 14.959 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG B 12 54.298 12.511 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG B 12 52.787 13.119 -9.888 1.00 0.00 H new ATOM 0 HE ARG B 12 54.610 15.270 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG B 12 54.262 12.012 -11.326 1.00 0.00 H new ATOM 0 HH12 ARG B 12 55.142 12.392 -12.810 1.00 0.00 H new ATOM 0 HH21 ARG B 12 55.739 15.750 -11.921 1.00 0.00 H new ATOM 0 HH22 ARG B 12 55.974 14.498 -13.146 1.00 0.00 H new ATOM 1053 N GLU B 13 52.347 16.389 -6.142 1.00 0.00 N ATOM 1054 CA GLU B 13 51.495 17.552 -6.366 1.00 0.00 C ATOM 1055 C GLU B 13 51.038 18.163 -5.045 1.00 0.00 C ATOM 1056 O GLU B 13 50.496 19.267 -5.017 1.00 0.00 O ATOM 1057 CB GLU B 13 50.278 17.163 -7.207 1.00 0.00 C ATOM 1058 CG GLU B 13 50.639 16.608 -8.575 1.00 0.00 C ATOM 1059 CD GLU B 13 51.417 17.597 -9.420 1.00 0.00 C ATOM 1060 OE1 GLU B 13 51.209 18.817 -9.248 1.00 0.00 O ATOM 1061 OE2 GLU B 13 52.234 17.153 -10.255 1.00 0.00 O ATOM 0 H GLU B 13 51.841 15.531 -5.923 1.00 0.00 H new ATOM 0 HA GLU B 13 52.081 18.298 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU B 13 49.694 16.419 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU B 13 49.640 18.038 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU B 13 51.229 15.700 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU B 13 49.727 16.326 -9.101 1.00 0.00 H new ATOM 1068 N ARG B 14 51.261 17.440 -3.951 1.00 0.00 N ATOM 1069 CA ARG B 14 50.875 17.922 -2.630 1.00 0.00 C ATOM 1070 C ARG B 14 51.413 19.328 -2.386 1.00 0.00 C ATOM 1071 O ARG B 14 52.608 19.581 -2.539 1.00 0.00 O ATOM 1072 CB ARG B 14 51.386 16.971 -1.545 1.00 0.00 C ATOM 1073 CG ARG B 14 50.814 15.567 -1.647 1.00 0.00 C ATOM 1074 CD ARG B 14 51.329 14.674 -0.529 1.00 0.00 C ATOM 1075 NE ARG B 14 50.777 13.324 -0.609 1.00 0.00 N ATOM 1076 CZ ARG B 14 50.884 12.426 0.365 1.00 0.00 C ATOM 1077 NH1 ARG B 14 51.520 12.735 1.486 1.00 0.00 N ATOM 1078 NH2 ARG B 14 50.355 11.219 0.218 1.00 0.00 N ATOM 0 H ARG B 14 51.705 16.522 -3.954 1.00 0.00 H new ATOM 0 HA ARG B 14 49.786 17.956 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG B 14 52.473 16.916 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG B 14 51.140 17.384 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG B 14 49.726 15.612 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG B 14 51.079 15.134 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG B 14 52.417 14.624 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG B 14 51.072 15.114 0.434 1.00 0.00 H new ATOM 0 HE ARG B 14 50.282 13.056 -1.459 1.00 0.00 H new ATOM 0 HH11 ARG B 14 51.928 13.663 1.602 1.00 0.00 H new ATOM 0 HH12 ARG B 14 51.602 12.045 2.233 1.00 0.00 H new ATOM 0 HH21 ARG B 14 49.865 10.978 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG B 14 50.438 10.531 0.967 1.00 0.00 H new ATOM 1092 N GLN B 15 50.523 20.238 -2.004 1.00 0.00 N ATOM 1093 CA GLN B 15 50.910 21.618 -1.738 1.00 0.00 C ATOM 1094 C GLN B 15 51.533 21.748 -0.352 1.00 0.00 C ATOM 1095 O GLN B 15 50.843 22.035 0.626 1.00 0.00 O ATOM 1096 CB GLN B 15 49.694 22.542 -1.854 1.00 0.00 C ATOM 1097 CG GLN B 15 50.018 24.011 -1.629 1.00 0.00 C ATOM 1098 CD GLN B 15 50.902 24.593 -2.717 1.00 0.00 C ATOM 1099 OE1 GLN B 15 50.842 25.788 -3.004 1.00 0.00 O ATOM 1100 NE2 GLN B 15 51.721 23.750 -3.332 1.00 0.00 N ATOM 0 H GLN B 15 49.530 20.045 -1.872 1.00 0.00 H new ATOM 0 HA GLN B 15 51.652 21.912 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN B 15 49.252 22.424 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN B 15 48.941 22.230 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN B 15 49.089 24.579 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN B 15 50.514 24.125 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN B 15 51.738 22.767 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN B 15 52.334 24.085 -4.075 1.00 0.00 H new ATOM 1109 N ASN B 16 52.839 21.521 -0.275 1.00 0.00 N ATOM 1110 CA ASN B 16 53.552 21.580 0.995 1.00 0.00 C ATOM 1111 C ASN B 16 52.895 22.573 1.948 1.00 0.00 C ATOM 1112 O ASN B 16 52.576 23.699 1.567 1.00 0.00 O ATOM 1113 CB ASN B 16 55.014 21.968 0.767 1.00 0.00 C ATOM 1114 CG ASN B 16 55.803 22.035 2.060 1.00 0.00 C ATOM 1115 OD1 ASN B 16 55.878 23.084 2.701 1.00 0.00 O ATOM 1116 ND2 ASN B 16 56.396 20.913 2.450 1.00 0.00 N ATOM 0 H ASN B 16 53.426 21.294 -1.078 1.00 0.00 H new ATOM 0 HA ASN B 16 53.511 20.590 1.448 1.00 0.00 H new ATOM 0 HB2 ASN B 16 55.479 21.244 0.098 1.00 0.00 H new ATOM 0 HB3 ASN B 16 55.057 22.936 0.268 1.00 0.00 H new ATOM 0 HD21 ASN B 16 56.941 20.897 3.312 1.00 0.00 H new ATOM 0 HD22 ASN B 16 56.307 20.067 1.887 1.00 0.00 H new ATOM 1123 N CYS B 17 52.711 22.151 3.196 1.00 0.00 N ATOM 1124 CA CYS B 17 52.136 23.012 4.220 1.00 0.00 C ATOM 1125 C CYS B 17 52.759 22.719 5.579 1.00 0.00 C ATOM 1126 O CYS B 17 52.372 23.302 6.591 1.00 0.00 O ATOM 1127 CB CYS B 17 50.621 22.821 4.292 1.00 0.00 C ATOM 1128 SG CYS B 17 49.819 23.767 5.628 1.00 0.00 S ATOM 0 H CYS B 17 52.953 21.215 3.521 1.00 0.00 H new ATOM 0 HA CYS B 17 52.349 24.047 3.951 1.00 0.00 H new ATOM 0 HB2 CYS B 17 50.182 23.115 3.338 1.00 0.00 H new ATOM 0 HB3 CYS B 17 50.404 21.762 4.430 1.00 0.00 H new ATOM 1133 N GLY B 18 53.723 21.807 5.590 1.00 0.00 N ATOM 1134 CA GLY B 18 54.383 21.436 6.826 1.00 0.00 C ATOM 1135 C GLY B 18 55.408 20.339 6.627 1.00 0.00 C ATOM 1136 O GLY B 18 55.083 19.254 6.141 1.00 0.00 O ATOM 0 H GLY B 18 54.060 21.316 4.762 1.00 0.00 H new ATOM 0 HA2 GLY B 18 54.871 22.313 7.251 1.00 0.00 H new ATOM 0 HA3 GLY B 18 53.637 21.105 7.548 1.00 0.00 H new ATOM 1140 N PHE B 19 56.648 20.623 7.003 1.00 0.00 N ATOM 1141 CA PHE B 19 57.732 19.656 6.867 1.00 0.00 C ATOM 1142 C PHE B 19 57.291 18.276 7.341 1.00 0.00 C ATOM 1143 O PHE B 19 56.199 18.116 7.887 1.00 0.00 O ATOM 1144 CB PHE B 19 58.953 20.117 7.663 1.00 0.00 C ATOM 1145 CG PHE B 19 58.688 20.272 9.134 1.00 0.00 C ATOM 1146 CD1 PHE B 19 58.846 19.200 9.997 1.00 0.00 C ATOM 1147 CD2 PHE B 19 58.278 21.490 9.653 1.00 0.00 C ATOM 1148 CE1 PHE B 19 58.602 19.339 11.350 1.00 0.00 C ATOM 1149 CE2 PHE B 19 58.032 21.636 11.005 1.00 0.00 C ATOM 1150 CZ PHE B 19 58.194 20.559 11.855 1.00 0.00 C ATOM 0 H PHE B 19 56.930 21.517 7.406 1.00 0.00 H new ATOM 0 HA PHE B 19 57.998 19.589 5.812 1.00 0.00 H new ATOM 0 HB2 PHE B 19 59.761 19.399 7.521 1.00 0.00 H new ATOM 0 HB3 PHE B 19 59.299 21.070 7.262 1.00 0.00 H new ATOM 0 HD1 PHE B 19 59.164 18.244 9.608 1.00 0.00 H new ATOM 0 HD2 PHE B 19 58.149 22.335 8.993 1.00 0.00 H new ATOM 0 HE1 PHE B 19 58.730 18.495 12.012 1.00 0.00 H new ATOM 0 HE2 PHE B 19 57.714 22.591 11.397 1.00 0.00 H new ATOM 0 HZ PHE B 19 58.002 20.670 12.912 1.00 0.00 H new ATOM 1160 N PRO B 20 58.141 17.259 7.135 1.00 0.00 N ATOM 1161 CA PRO B 20 57.843 15.881 7.540 1.00 0.00 C ATOM 1162 C PRO B 20 57.727 15.737 9.053 1.00 0.00 C ATOM 1163 O PRO B 20 56.679 15.353 9.573 1.00 0.00 O ATOM 1164 CB PRO B 20 59.039 15.081 7.014 1.00 0.00 C ATOM 1165 CG PRO B 20 60.132 16.082 6.858 1.00 0.00 C ATOM 1166 CD PRO B 20 59.459 17.375 6.491 1.00 0.00 C ATOM 0 HA PRO B 20 56.885 15.540 7.146 1.00 0.00 H new ATOM 0 HB2 PRO B 20 59.323 14.292 7.710 1.00 0.00 H new ATOM 0 HB3 PRO B 20 58.805 14.600 6.064 1.00 0.00 H new ATOM 0 HG2 PRO B 20 60.700 16.186 7.782 1.00 0.00 H new ATOM 0 HG3 PRO B 20 60.835 15.775 6.084 1.00 0.00 H new ATOM 0 HD2 PRO B 20 60.014 18.237 6.861 1.00 0.00 H new ATOM 0 HD3 PRO B 20 59.371 17.491 5.411 1.00 0.00 H new ATOM 1174 N GLY B 21 58.811 16.048 9.757 1.00 0.00 N ATOM 1175 CA GLY B 21 58.809 15.947 11.204 1.00 0.00 C ATOM 1176 C GLY B 21 57.500 16.407 11.817 1.00 0.00 C ATOM 1177 O GLY B 21 57.203 16.094 12.969 1.00 0.00 O ATOM 0 H GLY B 21 59.690 16.368 9.351 1.00 0.00 H new ATOM 0 HA2 GLY B 21 58.998 14.913 11.493 1.00 0.00 H new ATOM 0 HA3 GLY B 21 59.626 16.545 11.608 1.00 0.00 H new ATOM 1181 N VAL B 22 56.716 17.152 11.044 1.00 0.00 N ATOM 1182 CA VAL B 22 55.433 17.657 11.519 1.00 0.00 C ATOM 1183 C VAL B 22 54.576 16.532 12.088 1.00 0.00 C ATOM 1184 O VAL B 22 54.783 15.360 11.774 1.00 0.00 O ATOM 1185 CB VAL B 22 54.654 18.361 10.392 1.00 0.00 C ATOM 1186 CG1 VAL B 22 55.453 19.530 9.837 1.00 0.00 C ATOM 1187 CG2 VAL B 22 54.303 17.372 9.289 1.00 0.00 C ATOM 0 H VAL B 22 56.947 17.419 10.087 1.00 0.00 H new ATOM 0 HA VAL B 22 55.650 18.379 12.306 1.00 0.00 H new ATOM 0 HB VAL B 22 53.725 18.753 10.807 1.00 0.00 H new ATOM 0 HG11 VAL B 22 54.885 20.014 9.042 1.00 0.00 H new ATOM 0 HG12 VAL B 22 55.647 20.249 10.633 1.00 0.00 H new ATOM 0 HG13 VAL B 22 56.400 19.167 9.437 1.00 0.00 H new ATOM 0 HG21 VAL B 22 53.753 17.886 8.501 1.00 0.00 H new ATOM 0 HG22 VAL B 22 55.218 16.948 8.876 1.00 0.00 H new ATOM 0 HG23 VAL B 22 53.686 16.573 9.700 1.00 0.00 H new ATOM 1197 N THR B 23 53.611 16.897 12.926 1.00 0.00 N ATOM 1198 CA THR B 23 52.718 15.919 13.535 1.00 0.00 C ATOM 1199 C THR B 23 51.269 16.390 13.483 1.00 0.00 C ATOM 1200 O THR B 23 50.987 17.516 13.074 1.00 0.00 O ATOM 1201 CB THR B 23 53.103 15.643 15.001 1.00 0.00 C ATOM 1202 OG1 THR B 23 53.029 16.853 15.764 1.00 0.00 O ATOM 1203 CG2 THR B 23 54.509 15.067 15.092 1.00 0.00 C ATOM 0 H THR B 23 53.428 17.863 13.198 1.00 0.00 H new ATOM 0 HA THR B 23 52.819 14.998 12.960 1.00 0.00 H new ATOM 0 HB THR B 23 52.401 14.914 15.406 1.00 0.00 H new ATOM 0 HG1 THR B 23 53.274 16.668 16.695 1.00 0.00 H new ATOM 0 HG21 THR B 23 54.759 14.880 16.136 1.00 0.00 H new ATOM 0 HG22 THR B 23 54.556 14.131 14.535 1.00 0.00 H new ATOM 0 HG23 THR B 23 55.221 15.776 14.670 1.00 0.00 H new ATOM 1211 N PRO B 24 50.332 15.526 13.899 1.00 0.00 N ATOM 1212 CA PRO B 24 48.901 15.846 13.899 1.00 0.00 C ATOM 1213 C PRO B 24 48.602 17.162 14.608 1.00 0.00 C ATOM 1214 O PRO B 24 47.797 17.965 14.135 1.00 0.00 O ATOM 1215 CB PRO B 24 48.274 14.675 14.658 1.00 0.00 C ATOM 1216 CG PRO B 24 49.227 13.547 14.467 1.00 0.00 C ATOM 1217 CD PRO B 24 50.597 14.166 14.401 1.00 0.00 C ATOM 0 HA PRO B 24 48.512 15.973 12.889 1.00 0.00 H new ATOM 0 HB2 PRO B 24 48.146 14.911 15.714 1.00 0.00 H new ATOM 0 HB3 PRO B 24 47.287 14.431 14.264 1.00 0.00 H new ATOM 0 HG2 PRO B 24 49.160 12.836 15.290 1.00 0.00 H new ATOM 0 HG3 PRO B 24 49.003 12.998 13.553 1.00 0.00 H new ATOM 0 HD2 PRO B 24 51.077 14.185 15.379 1.00 0.00 H new ATOM 0 HD3 PRO B 24 51.257 13.612 13.733 1.00 0.00 H new ATOM 1225 N SER B 25 49.253 17.377 15.747 1.00 0.00 N ATOM 1226 CA SER B 25 49.052 18.595 16.525 1.00 0.00 C ATOM 1227 C SER B 25 49.701 19.793 15.841 1.00 0.00 C ATOM 1228 O SER B 25 49.079 20.844 15.686 1.00 0.00 O ATOM 1229 CB SER B 25 49.624 18.424 17.933 1.00 0.00 C ATOM 1230 OG SER B 25 48.993 17.355 18.615 1.00 0.00 O ATOM 0 H SER B 25 49.924 16.724 16.152 1.00 0.00 H new ATOM 0 HA SER B 25 47.980 18.779 16.595 1.00 0.00 H new ATOM 0 HB2 SER B 25 50.696 18.238 17.873 1.00 0.00 H new ATOM 0 HB3 SER B 25 49.492 19.347 18.497 1.00 0.00 H new ATOM 0 HG SER B 25 49.378 17.266 19.512 1.00 0.00 H new ATOM 1236 N GLN B 26 50.957 19.628 15.436 1.00 0.00 N ATOM 1237 CA GLN B 26 51.695 20.701 14.781 1.00 0.00 C ATOM 1238 C GLN B 26 51.006 21.128 13.489 1.00 0.00 C ATOM 1239 O GLN B 26 50.707 22.305 13.293 1.00 0.00 O ATOM 1240 CB GLN B 26 53.128 20.254 14.483 1.00 0.00 C ATOM 1241 CG GLN B 26 53.919 19.879 15.726 1.00 0.00 C ATOM 1242 CD GLN B 26 55.336 19.446 15.406 1.00 0.00 C ATOM 1243 OE1 GLN B 26 55.923 18.630 16.117 1.00 0.00 O ATOM 1244 NE2 GLN B 26 55.894 19.992 14.332 1.00 0.00 N ATOM 0 H GLN B 26 51.484 18.762 15.550 1.00 0.00 H new ATOM 0 HA GLN B 26 51.720 21.555 15.458 1.00 0.00 H new ATOM 0 HB2 GLN B 26 53.100 19.398 13.808 1.00 0.00 H new ATOM 0 HB3 GLN B 26 53.648 21.056 13.959 1.00 0.00 H new ATOM 0 HG2 GLN B 26 53.948 20.731 16.405 1.00 0.00 H new ATOM 0 HG3 GLN B 26 53.406 19.072 16.249 1.00 0.00 H new ATOM 0 HE21 GLN B 26 55.370 20.664 13.771 1.00 0.00 H new ATOM 0 HE22 GLN B 26 56.846 19.739 14.068 1.00 0.00 H new ATOM 1253 N CYS B 27 50.761 20.164 12.608 1.00 0.00 N ATOM 1254 CA CYS B 27 50.121 20.443 11.327 1.00 0.00 C ATOM 1255 C CYS B 27 48.800 21.179 11.532 1.00 0.00 C ATOM 1256 O CYS B 27 48.593 22.265 10.992 1.00 0.00 O ATOM 1257 CB CYS B 27 49.883 19.143 10.557 1.00 0.00 C ATOM 1258 SG CYS B 27 49.191 19.380 8.889 1.00 0.00 S ATOM 0 H CYS B 27 50.996 19.183 12.757 1.00 0.00 H new ATOM 0 HA CYS B 27 50.786 21.081 10.746 1.00 0.00 H new ATOM 0 HB2 CYS B 27 50.827 18.605 10.473 1.00 0.00 H new ATOM 0 HB3 CYS B 27 49.206 18.511 11.133 1.00 0.00 H new ATOM 1263 N ALA B 28 47.915 20.586 12.326 1.00 0.00 N ATOM 1264 CA ALA B 28 46.628 21.200 12.630 1.00 0.00 C ATOM 1265 C ALA B 28 46.798 22.669 12.996 1.00 0.00 C ATOM 1266 O ALA B 28 46.004 23.517 12.590 1.00 0.00 O ATOM 1267 CB ALA B 28 45.939 20.449 13.759 1.00 0.00 C ATOM 0 H ALA B 28 48.066 19.681 12.771 1.00 0.00 H new ATOM 0 HA ALA B 28 46.004 21.143 11.738 1.00 0.00 H new ATOM 0 HB1 ALA B 28 44.979 20.918 13.976 1.00 0.00 H new ATOM 0 HB2 ALA B 28 45.777 19.413 13.461 1.00 0.00 H new ATOM 0 HB3 ALA B 28 46.566 20.477 14.650 1.00 0.00 H new ATOM 1273 N ASN B 29 47.847 22.967 13.759 1.00 0.00 N ATOM 1274 CA ASN B 29 48.137 24.340 14.156 1.00 0.00 C ATOM 1275 C ASN B 29 48.121 25.264 12.944 1.00 0.00 C ATOM 1276 O ASN B 29 47.588 26.372 13.003 1.00 0.00 O ATOM 1277 CB ASN B 29 49.497 24.415 14.854 1.00 0.00 C ATOM 1278 CG ASN B 29 49.845 25.824 15.292 1.00 0.00 C ATOM 1279 OD1 ASN B 29 49.430 26.801 14.668 1.00 0.00 O ATOM 1280 ND2 ASN B 29 50.612 25.936 16.371 1.00 0.00 N ATOM 0 H ASN B 29 48.509 22.276 14.114 1.00 0.00 H new ATOM 0 HA ASN B 29 47.364 24.666 14.852 1.00 0.00 H new ATOM 0 HB2 ASN B 29 49.493 23.758 15.724 1.00 0.00 H new ATOM 0 HB3 ASN B 29 50.269 24.046 14.179 1.00 0.00 H new ATOM 0 HD21 ASN B 29 50.879 26.859 16.713 1.00 0.00 H new ATOM 0 HD22 ASN B 29 50.933 25.099 16.857 1.00 0.00 H new ATOM 1287 N LYS B 30 48.693 24.794 11.841 1.00 0.00 N ATOM 1288 CA LYS B 30 48.706 25.557 10.600 1.00 0.00 C ATOM 1289 C LYS B 30 47.391 25.385 9.848 1.00 0.00 C ATOM 1290 O LYS B 30 46.886 26.324 9.232 1.00 0.00 O ATOM 1291 CB LYS B 30 49.876 25.117 9.717 1.00 0.00 C ATOM 1292 CG LYS B 30 49.962 25.869 8.400 1.00 0.00 C ATOM 1293 CD LYS B 30 51.149 25.405 7.571 1.00 0.00 C ATOM 1294 CE LYS B 30 52.462 25.630 8.306 1.00 0.00 C ATOM 1295 NZ LYS B 30 53.632 25.183 7.503 1.00 0.00 N ATOM 0 H LYS B 30 49.154 23.886 11.782 1.00 0.00 H new ATOM 0 HA LYS B 30 48.828 26.611 10.849 1.00 0.00 H new ATOM 0 HB2 LYS B 30 50.807 25.256 10.266 1.00 0.00 H new ATOM 0 HB3 LYS B 30 49.784 24.051 9.511 1.00 0.00 H new ATOM 0 HG2 LYS B 30 49.042 25.721 7.835 1.00 0.00 H new ATOM 0 HG3 LYS B 30 50.048 26.938 8.595 1.00 0.00 H new ATOM 0 HD2 LYS B 30 51.039 24.346 7.336 1.00 0.00 H new ATOM 0 HD3 LYS B 30 51.165 25.942 6.623 1.00 0.00 H new ATOM 0 HE2 LYS B 30 52.568 26.688 8.544 1.00 0.00 H new ATOM 0 HE3 LYS B 30 52.445 25.091 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 54.507 25.354 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 53.544 24.167 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 53.664 25.715 6.610 1.00 0.00 H new ATOM 1309 N GLY B 31 46.832 24.181 9.918 1.00 0.00 N ATOM 1310 CA GLY B 31 45.556 23.915 9.281 1.00 0.00 C ATOM 1311 C GLY B 31 45.705 23.239 7.932 1.00 0.00 C ATOM 1312 O GLY B 31 45.319 23.797 6.904 1.00 0.00 O ATOM 0 H GLY B 31 47.241 23.384 10.405 1.00 0.00 H new ATOM 0 HA2 GLY B 31 44.953 23.284 9.934 1.00 0.00 H new ATOM 0 HA3 GLY B 31 45.015 24.853 9.155 1.00 0.00 H new ATOM 1316 N CYS B 32 46.252 22.029 7.936 1.00 0.00 N ATOM 1317 CA CYS B 32 46.411 21.255 6.710 1.00 0.00 C ATOM 1318 C CYS B 32 46.342 19.759 6.995 1.00 0.00 C ATOM 1319 O CYS B 32 46.196 19.341 8.143 1.00 0.00 O ATOM 1320 CB CYS B 32 47.738 21.596 6.030 1.00 0.00 C ATOM 1321 SG CYS B 32 47.850 23.314 5.432 1.00 0.00 S ATOM 0 H CYS B 32 46.593 21.562 8.776 1.00 0.00 H new ATOM 0 HA CYS B 32 45.592 21.517 6.040 1.00 0.00 H new ATOM 0 HB2 CYS B 32 48.551 21.414 6.733 1.00 0.00 H new ATOM 0 HB3 CYS B 32 47.887 20.920 5.188 1.00 0.00 H new ATOM 1326 N CYS B 33 46.446 18.958 5.940 1.00 0.00 N ATOM 1327 CA CYS B 33 46.389 17.506 6.072 1.00 0.00 C ATOM 1328 C CYS B 33 47.723 16.948 6.556 1.00 0.00 C ATOM 1329 O CYS B 33 48.772 17.564 6.362 1.00 0.00 O ATOM 1330 CB CYS B 33 46.012 16.866 4.736 1.00 0.00 C ATOM 1331 SG CYS B 33 44.368 17.349 4.118 1.00 0.00 S ATOM 0 H CYS B 33 46.570 19.290 4.983 1.00 0.00 H new ATOM 0 HA CYS B 33 45.626 17.265 6.812 1.00 0.00 H new ATOM 0 HB2 CYS B 33 46.762 17.135 3.992 1.00 0.00 H new ATOM 0 HB3 CYS B 33 46.044 15.782 4.843 1.00 0.00 H new ATOM 1336 N PHE B 34 47.675 15.781 7.189 1.00 0.00 N ATOM 1337 CA PHE B 34 48.879 15.140 7.704 1.00 0.00 C ATOM 1338 C PHE B 34 49.036 13.736 7.128 1.00 0.00 C ATOM 1339 O PHE B 34 48.259 12.835 7.443 1.00 0.00 O ATOM 1340 CB PHE B 34 48.833 15.075 9.231 1.00 0.00 C ATOM 1341 CG PHE B 34 50.062 14.466 9.844 1.00 0.00 C ATOM 1342 CD1 PHE B 34 50.196 13.090 9.939 1.00 0.00 C ATOM 1343 CD2 PHE B 34 51.084 15.271 10.323 1.00 0.00 C ATOM 1344 CE1 PHE B 34 51.326 12.528 10.502 1.00 0.00 C ATOM 1345 CE2 PHE B 34 52.215 14.714 10.886 1.00 0.00 C ATOM 1346 CZ PHE B 34 52.338 13.342 10.976 1.00 0.00 C ATOM 0 H PHE B 34 46.815 15.260 7.358 1.00 0.00 H new ATOM 0 HA PHE B 34 49.738 15.737 7.398 1.00 0.00 H new ATOM 0 HB2 PHE B 34 48.701 16.083 9.625 1.00 0.00 H new ATOM 0 HB3 PHE B 34 47.961 14.497 9.536 1.00 0.00 H new ATOM 0 HD1 PHE B 34 49.409 12.450 9.569 1.00 0.00 H new ATOM 0 HD2 PHE B 34 50.995 16.345 10.255 1.00 0.00 H new ATOM 0 HE1 PHE B 34 51.418 11.454 10.572 1.00 0.00 H new ATOM 0 HE2 PHE B 34 53.004 15.352 11.256 1.00 0.00 H new ATOM 0 HZ PHE B 34 53.223 12.906 11.416 1.00 0.00 H new ATOM 1356 N ASP B 35 50.043 13.559 6.279 1.00 0.00 N ATOM 1357 CA ASP B 35 50.295 12.266 5.651 1.00 0.00 C ATOM 1358 C ASP B 35 51.782 11.929 5.674 1.00 0.00 C ATOM 1359 O ASP B 35 52.576 12.528 4.948 1.00 0.00 O ATOM 1360 CB ASP B 35 49.783 12.268 4.210 1.00 0.00 C ATOM 1361 CG ASP B 35 50.022 10.945 3.510 1.00 0.00 C ATOM 1362 OD1 ASP B 35 51.010 10.261 3.854 1.00 0.00 O ATOM 1363 OD2 ASP B 35 49.223 10.592 2.617 1.00 0.00 O ATOM 0 H ASP B 35 50.698 14.294 6.010 1.00 0.00 H new ATOM 0 HA ASP B 35 49.760 11.504 6.219 1.00 0.00 H new ATOM 0 HB2 ASP B 35 48.716 12.490 4.207 1.00 0.00 H new ATOM 0 HB3 ASP B 35 50.276 13.065 3.653 1.00 0.00 H new ATOM 1368 N ASP B 36 52.152 10.963 6.508 1.00 0.00 N ATOM 1369 CA ASP B 36 53.542 10.536 6.616 1.00 0.00 C ATOM 1370 C ASP B 36 53.720 9.121 6.074 1.00 0.00 C ATOM 1371 O ASP B 36 54.572 8.368 6.546 1.00 0.00 O ATOM 1372 CB ASP B 36 54.005 10.599 8.072 1.00 0.00 C ATOM 1373 CG ASP B 36 53.199 9.687 8.976 1.00 0.00 C ATOM 1374 OD1 ASP B 36 52.172 10.146 9.518 1.00 0.00 O ATOM 1375 OD2 ASP B 36 53.595 8.514 9.139 1.00 0.00 O ATOM 0 H ASP B 36 51.508 10.461 7.119 1.00 0.00 H new ATOM 0 HA ASP B 36 54.152 11.214 6.019 1.00 0.00 H new ATOM 0 HB2 ASP B 36 55.058 10.323 8.128 1.00 0.00 H new ATOM 0 HB3 ASP B 36 53.925 11.625 8.431 1.00 0.00 H new ATOM 1380 N THR B 37 52.909 8.766 5.084 1.00 0.00 N ATOM 1381 CA THR B 37 52.969 7.437 4.485 1.00 0.00 C ATOM 1382 C THR B 37 54.046 7.367 3.408 1.00 0.00 C ATOM 1383 O THR B 37 54.566 6.293 3.105 1.00 0.00 O ATOM 1384 CB THR B 37 51.616 7.038 3.869 1.00 0.00 C ATOM 1385 OG1 THR B 37 51.251 7.968 2.842 1.00 0.00 O ATOM 1386 CG2 THR B 37 50.529 6.994 4.931 1.00 0.00 C ATOM 0 H THR B 37 52.202 9.380 4.679 1.00 0.00 H new ATOM 0 HA THR B 37 53.215 6.740 5.286 1.00 0.00 H new ATOM 0 HB THR B 37 51.719 6.043 3.437 1.00 0.00 H new ATOM 0 HG1 THR B 37 51.519 8.872 3.109 1.00 0.00 H new ATOM 0 HG21 THR B 37 49.582 6.710 4.471 1.00 0.00 H new ATOM 0 HG22 THR B 37 50.796 6.263 5.694 1.00 0.00 H new ATOM 0 HG23 THR B 37 50.429 7.978 5.390 1.00 0.00 H new ATOM 1394 N VAL B 38 54.373 8.518 2.829 1.00 0.00 N ATOM 1395 CA VAL B 38 55.380 8.584 1.777 1.00 0.00 C ATOM 1396 C VAL B 38 56.629 9.318 2.255 1.00 0.00 C ATOM 1397 O VAL B 38 56.539 10.370 2.888 1.00 0.00 O ATOM 1398 CB VAL B 38 54.835 9.287 0.520 1.00 0.00 C ATOM 1399 CG1 VAL B 38 55.900 9.345 -0.565 1.00 0.00 C ATOM 1400 CG2 VAL B 38 53.585 8.584 0.014 1.00 0.00 C ATOM 0 H VAL B 38 53.955 9.417 3.071 1.00 0.00 H new ATOM 0 HA VAL B 38 55.640 7.556 1.525 1.00 0.00 H new ATOM 0 HB VAL B 38 54.566 10.309 0.786 1.00 0.00 H new ATOM 0 HG11 VAL B 38 55.496 9.845 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL B 38 56.764 9.899 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL B 38 56.204 8.333 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL B 38 53.215 9.095 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL B 38 53.825 7.550 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL B 38 52.819 8.602 0.789 1.00 0.00 H new ATOM 1410 N ARG B 39 57.794 8.758 1.945 1.00 0.00 N ATOM 1411 CA ARG B 39 59.062 9.363 2.335 1.00 0.00 C ATOM 1412 C ARG B 39 59.512 10.395 1.305 1.00 0.00 C ATOM 1413 O ARG B 39 59.179 10.295 0.125 1.00 0.00 O ATOM 1414 CB ARG B 39 60.137 8.287 2.496 1.00 0.00 C ATOM 1415 CG ARG B 39 59.823 7.274 3.586 1.00 0.00 C ATOM 1416 CD ARG B 39 59.732 7.936 4.951 1.00 0.00 C ATOM 1417 NE ARG B 39 60.983 8.589 5.327 1.00 0.00 N ATOM 1418 CZ ARG B 39 61.236 9.052 6.547 1.00 0.00 C ATOM 1419 NH1 ARG B 39 60.327 8.933 7.505 1.00 0.00 N ATOM 1420 NH2 ARG B 39 62.397 9.636 6.810 1.00 0.00 N ATOM 0 H ARG B 39 57.886 7.886 1.425 1.00 0.00 H new ATOM 0 HA ARG B 39 58.916 9.867 3.290 1.00 0.00 H new ATOM 0 HB2 ARG B 39 60.260 7.763 1.548 1.00 0.00 H new ATOM 0 HB3 ARG B 39 61.090 8.767 2.721 1.00 0.00 H new ATOM 0 HG2 ARG B 39 58.881 6.774 3.359 1.00 0.00 H new ATOM 0 HG3 ARG B 39 60.596 6.506 3.604 1.00 0.00 H new ATOM 0 HD2 ARG B 39 58.927 8.671 4.944 1.00 0.00 H new ATOM 0 HD3 ARG B 39 59.474 7.188 5.700 1.00 0.00 H new ATOM 0 HE ARG B 39 61.703 8.696 4.613 1.00 0.00 H new ATOM 0 HH11 ARG B 39 59.432 8.486 7.306 1.00 0.00 H new ATOM 0 HH12 ARG B 39 60.523 9.289 8.441 1.00 0.00 H new ATOM 0 HH21 ARG B 39 63.098 9.731 6.075 1.00 0.00 H new ATOM 0 HH22 ARG B 39 62.589 9.991 7.747 1.00 0.00 H new ATOM 1434 N GLY B 40 60.274 11.383 1.761 1.00 0.00 N ATOM 1435 CA GLY B 40 60.764 12.416 0.866 1.00 0.00 C ATOM 1436 C GLY B 40 59.747 13.517 0.637 1.00 0.00 C ATOM 1437 O GLY B 40 60.089 14.699 0.645 1.00 0.00 O ATOM 0 H GLY B 40 60.561 11.487 2.734 1.00 0.00 H new ATOM 0 HA2 GLY B 40 61.675 12.848 1.280 1.00 0.00 H new ATOM 0 HA3 GLY B 40 61.030 11.967 -0.091 1.00 0.00 H new ATOM 1441 N VAL B 41 58.493 13.127 0.427 1.00 0.00 N ATOM 1442 CA VAL B 41 57.424 14.089 0.185 1.00 0.00 C ATOM 1443 C VAL B 41 56.905 14.675 1.493 1.00 0.00 C ATOM 1444 O VAL B 41 57.007 14.052 2.549 1.00 0.00 O ATOM 1445 CB VAL B 41 56.250 13.446 -0.576 1.00 0.00 C ATOM 1446 CG1 VAL B 41 56.716 12.908 -1.920 1.00 0.00 C ATOM 1447 CG2 VAL B 41 55.615 12.342 0.258 1.00 0.00 C ATOM 0 H VAL B 41 58.193 12.152 0.420 1.00 0.00 H new ATOM 0 HA VAL B 41 57.850 14.886 -0.425 1.00 0.00 H new ATOM 0 HB VAL B 41 55.496 14.211 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL B 41 55.873 12.457 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL B 41 57.120 13.724 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL B 41 57.489 12.156 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL B 41 54.787 11.899 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL B 41 56.359 11.575 0.474 1.00 0.00 H new ATOM 0 HG23 VAL B 41 55.244 12.761 1.193 1.00 0.00 H new ATOM 1457 N PRO B 42 56.338 15.889 1.434 1.00 0.00 N ATOM 1458 CA PRO B 42 55.794 16.569 2.613 1.00 0.00 C ATOM 1459 C PRO B 42 54.537 15.889 3.145 1.00 0.00 C ATOM 1460 O PRO B 42 53.661 15.493 2.377 1.00 0.00 O ATOM 1461 CB PRO B 42 55.463 17.972 2.096 1.00 0.00 C ATOM 1462 CG PRO B 42 55.252 17.795 0.633 1.00 0.00 C ATOM 1463 CD PRO B 42 56.182 16.693 0.208 1.00 0.00 C ATOM 0 HA PRO B 42 56.497 16.562 3.446 1.00 0.00 H new ATOM 0 HB2 PRO B 42 54.572 18.372 2.579 1.00 0.00 H new ATOM 0 HB3 PRO B 42 56.275 18.670 2.297 1.00 0.00 H new ATOM 0 HG2 PRO B 42 54.216 17.535 0.417 1.00 0.00 H new ATOM 0 HG3 PRO B 42 55.468 18.717 0.094 1.00 0.00 H new ATOM 0 HD2 PRO B 42 55.762 16.105 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO B 42 57.138 17.085 -0.140 1.00 0.00 H new ATOM 1471 N TRP B 43 54.457 15.752 4.466 1.00 0.00 N ATOM 1472 CA TRP B 43 53.311 15.110 5.099 1.00 0.00 C ATOM 1473 C TRP B 43 52.173 16.104 5.306 1.00 0.00 C ATOM 1474 O TRP B 43 51.046 15.872 4.869 1.00 0.00 O ATOM 1475 CB TRP B 43 53.718 14.495 6.439 1.00 0.00 C ATOM 1476 CG TRP B 43 54.800 13.466 6.316 1.00 0.00 C ATOM 1477 CD1 TRP B 43 55.189 12.816 5.180 1.00 0.00 C ATOM 1478 CD2 TRP B 43 55.630 12.964 7.370 1.00 0.00 C ATOM 1479 NE1 TRP B 43 56.211 11.942 5.462 1.00 0.00 N ATOM 1480 CE2 TRP B 43 56.500 12.015 6.800 1.00 0.00 C ATOM 1481 CE3 TRP B 43 55.723 13.226 8.739 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 57.449 11.328 7.553 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 56.665 12.544 9.486 1.00 0.00 C ATOM 1484 CH2 TRP B 43 57.518 11.605 8.891 1.00 0.00 C ATOM 0 H TRP B 43 55.172 16.077 5.117 1.00 0.00 H new ATOM 0 HA TRP B 43 52.960 14.319 4.436 1.00 0.00 H new ATOM 0 HB2 TRP B 43 54.055 15.288 7.107 1.00 0.00 H new ATOM 0 HB3 TRP B 43 52.843 14.038 6.902 1.00 0.00 H new ATOM 0 HD1 TRP B 43 54.756 12.967 4.202 1.00 0.00 H new ATOM 0 HE1 TRP B 43 56.678 11.338 4.786 1.00 0.00 H new ATOM 0 HE3 TRP B 43 55.070 13.949 9.206 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 58.107 10.603 7.097 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 56.745 12.738 10.545 1.00 0.00 H new ATOM 0 HH2 TRP B 43 58.245 11.089 9.501 1.00 0.00 H new ATOM 1495 N CYS B 44 52.475 17.215 5.972 1.00 0.00 N ATOM 1496 CA CYS B 44 51.477 18.247 6.227 1.00 0.00 C ATOM 1497 C CYS B 44 51.337 19.173 5.023 1.00 0.00 C ATOM 1498 O CYS B 44 52.153 20.072 4.821 1.00 0.00 O ATOM 1499 CB CYS B 44 51.853 19.056 7.469 1.00 0.00 C ATOM 1500 SG CYS B 44 50.660 20.366 7.893 1.00 0.00 S ATOM 0 H CYS B 44 53.402 17.423 6.344 1.00 0.00 H new ATOM 0 HA CYS B 44 50.519 17.757 6.401 1.00 0.00 H new ATOM 0 HB2 CYS B 44 51.947 18.377 8.317 1.00 0.00 H new ATOM 0 HB3 CYS B 44 52.832 19.508 7.312 1.00 0.00 H new ATOM 1505 N PHE B 45 50.304 18.939 4.221 1.00 0.00 N ATOM 1506 CA PHE B 45 50.073 19.733 3.020 1.00 0.00 C ATOM 1507 C PHE B 45 48.644 20.267 2.981 1.00 0.00 C ATOM 1508 O PHE B 45 47.789 19.836 3.755 1.00 0.00 O ATOM 1509 CB PHE B 45 50.350 18.895 1.771 1.00 0.00 C ATOM 1510 CG PHE B 45 49.512 17.650 1.688 1.00 0.00 C ATOM 1511 CD1 PHE B 45 48.232 17.695 1.162 1.00 0.00 C ATOM 1512 CD2 PHE B 45 50.008 16.436 2.136 1.00 0.00 C ATOM 1513 CE1 PHE B 45 47.461 16.551 1.084 1.00 0.00 C ATOM 1514 CE2 PHE B 45 49.241 15.289 2.062 1.00 0.00 C ATOM 1515 CZ PHE B 45 47.966 15.346 1.535 1.00 0.00 C ATOM 0 H PHE B 45 49.613 18.206 4.381 1.00 0.00 H new ATOM 0 HA PHE B 45 50.756 20.582 3.041 1.00 0.00 H new ATOM 0 HB2 PHE B 45 50.169 19.505 0.886 1.00 0.00 H new ATOM 0 HB3 PHE B 45 51.404 18.616 1.756 1.00 0.00 H new ATOM 0 HD1 PHE B 45 47.832 18.634 0.809 1.00 0.00 H new ATOM 0 HD2 PHE B 45 51.005 16.386 2.548 1.00 0.00 H new ATOM 0 HE1 PHE B 45 46.464 16.598 0.671 1.00 0.00 H new ATOM 0 HE2 PHE B 45 49.638 14.349 2.416 1.00 0.00 H new ATOM 0 HZ PHE B 45 47.365 14.451 1.475 1.00 0.00 H new ATOM 1525 N TYR B 46 48.395 21.206 2.074 1.00 0.00 N ATOM 1526 CA TYR B 46 47.070 21.801 1.934 1.00 0.00 C ATOM 1527 C TYR B 46 46.107 20.832 1.254 1.00 0.00 C ATOM 1528 O TYR B 46 46.508 20.038 0.403 1.00 0.00 O ATOM 1529 CB TYR B 46 47.155 23.100 1.131 1.00 0.00 C ATOM 1530 CG TYR B 46 48.031 24.155 1.769 1.00 0.00 C ATOM 1531 CD1 TYR B 46 49.391 24.215 1.494 1.00 0.00 C ATOM 1532 CD2 TYR B 46 47.497 25.091 2.646 1.00 0.00 C ATOM 1533 CE1 TYR B 46 50.195 25.178 2.074 1.00 0.00 C ATOM 1534 CE2 TYR B 46 48.294 26.058 3.229 1.00 0.00 C ATOM 1535 CZ TYR B 46 49.642 26.097 2.941 1.00 0.00 C ATOM 1536 OH TYR B 46 50.438 27.057 3.520 1.00 0.00 O ATOM 0 H TYR B 46 49.092 21.571 1.425 1.00 0.00 H new ATOM 0 HA TYR B 46 46.691 22.022 2.932 1.00 0.00 H new ATOM 0 HB2 TYR B 46 47.538 22.876 0.135 1.00 0.00 H new ATOM 0 HB3 TYR B 46 46.151 23.504 1.003 1.00 0.00 H new ATOM 0 HD1 TYR B 46 49.828 23.497 0.816 1.00 0.00 H new ATOM 0 HD2 TYR B 46 46.442 25.062 2.876 1.00 0.00 H new ATOM 0 HE1 TYR B 46 51.251 25.211 1.849 1.00 0.00 H new ATOM 0 HE2 TYR B 46 47.863 26.780 3.907 1.00 0.00 H new ATOM 0 HH TYR B 46 49.893 27.626 4.103 1.00 0.00 H new ATOM 1546 N PRO B 47 44.819 20.892 1.624 1.00 0.00 N ATOM 1547 CA PRO B 47 43.787 20.026 1.047 1.00 0.00 C ATOM 1548 C PRO B 47 43.412 20.438 -0.373 1.00 0.00 C ATOM 1549 O PRO B 47 44.050 21.307 -0.967 1.00 0.00 O ATOM 1550 CB PRO B 47 42.602 20.219 1.992 1.00 0.00 C ATOM 1551 CG PRO B 47 42.783 21.590 2.547 1.00 0.00 C ATOM 1552 CD PRO B 47 44.270 21.813 2.635 1.00 0.00 C ATOM 0 HA PRO B 47 44.119 18.991 0.962 1.00 0.00 H new ATOM 0 HB2 PRO B 47 41.654 20.128 1.462 1.00 0.00 H new ATOM 0 HB3 PRO B 47 42.599 19.469 2.783 1.00 0.00 H new ATOM 0 HG2 PRO B 47 42.315 22.335 1.904 1.00 0.00 H new ATOM 0 HG3 PRO B 47 42.317 21.678 3.529 1.00 0.00 H new ATOM 0 HD2 PRO B 47 44.534 22.848 2.419 1.00 0.00 H new ATOM 0 HD3 PRO B 47 44.651 21.588 3.631 1.00 0.00 H new