USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 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 39 ASN : amide:sc= -2.21 K(o=-2.3,f=-5.3!) USER MOD Set 1.2: A 42 THR OG1 : rot 75:sc= -0.134 USER MOD Set 2.1: A 32 SER OG : rot 170:sc= 0.902 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -162:sc= 2.11 (180deg=0.119) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -151:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot -74:sc= -0.12 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 27 ASN : amide:sc= -0.643 K(o=-0.64,f=-0.00044) USER MOD Single : A 34 MET CE :methyl -134:sc= -0.174 (180deg=-0.561) USER MOD Single : A 35 SER OG : rot 61:sc= 1.18 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -130:sc= -0.206 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 0.00186 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.9 K(o=0.9,f=-5.2!) USER MOD Single : A 53 ASN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 8 -4.723 -6.707 12.351 1.00 0.00 N ATOM 112 CA LYS A 8 -3.400 -6.265 11.913 1.00 0.00 C ATOM 113 C LYS A 8 -2.929 -6.915 10.637 1.00 0.00 C ATOM 114 O LYS A 8 -2.906 -8.140 10.484 1.00 0.00 O ATOM 115 CB LYS A 8 -2.308 -6.174 13.009 1.00 0.00 C ATOM 116 CG LYS A 8 -1.885 -7.441 13.695 1.00 0.00 C ATOM 117 CD LYS A 8 -0.796 -7.129 14.717 1.00 0.00 C ATOM 118 CE LYS A 8 -0.355 -8.352 15.495 1.00 0.00 C ATOM 119 NZ LYS A 8 0.771 -8.043 16.410 1.00 0.00 N ATOM 0 HA LYS A 8 -3.574 -5.218 11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.421 -5.727 12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.661 -5.483 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.740 -7.902 14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.515 -8.158 12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.065 -6.700 14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.162 -6.374 15.413 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.196 -8.740 16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.055 -9.137 14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.046 -8.904 16.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.582 -7.696 15.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.476 -7.312 17.089 1.00 0.00 H new ATOM 133 N TYR A 9 -2.548 -6.101 9.727 1.00 0.00 N ATOM 134 CA TYR A 9 -2.202 -6.543 8.443 1.00 0.00 C ATOM 135 C TYR A 9 -0.867 -5.894 8.062 1.00 0.00 C ATOM 136 O TYR A 9 -0.040 -5.641 8.945 1.00 0.00 O ATOM 137 CB TYR A 9 -3.328 -6.156 7.489 1.00 0.00 C ATOM 138 CG TYR A 9 -3.499 -7.133 6.375 1.00 0.00 C ATOM 139 CD1 TYR A 9 -2.464 -7.956 6.029 1.00 0.00 C ATOM 140 CD2 TYR A 9 -4.703 -7.264 5.718 1.00 0.00 C ATOM 141 CE1 TYR A 9 -2.597 -8.904 5.059 1.00 0.00 C ATOM 142 CE2 TYR A 9 -4.866 -8.206 4.716 1.00 0.00 C ATOM 143 CZ TYR A 9 -3.795 -9.032 4.395 1.00 0.00 C ATOM 144 OH TYR A 9 -3.931 -10.011 3.437 1.00 0.00 O ATOM 0 H TYR A 9 -2.468 -5.093 9.861 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.078 -7.625 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.261 -6.080 8.047 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.124 -5.169 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.517 -7.852 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.530 -6.624 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.767 -9.550 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.807 -8.297 4.194 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.582 -9.722 2.764 1.00 0.00 H new ATOM 154 N ARG A 10 -0.637 -5.636 6.788 1.00 0.00 N ATOM 155 CA ARG A 10 0.592 -5.101 6.357 1.00 0.00 C ATOM 156 C ARG A 10 0.369 -4.177 5.177 1.00 0.00 C ATOM 157 O ARG A 10 -0.566 -4.362 4.400 1.00 0.00 O ATOM 158 CB ARG A 10 1.564 -6.202 5.930 1.00 0.00 C ATOM 159 CG ARG A 10 1.109 -6.964 4.694 1.00 0.00 C ATOM 160 CD ARG A 10 2.253 -7.695 4.053 1.00 0.00 C ATOM 161 NE ARG A 10 3.381 -6.783 3.751 1.00 0.00 N ATOM 162 CZ ARG A 10 3.548 -6.096 2.603 1.00 0.00 C ATOM 163 NH1 ARG A 10 2.527 -5.936 1.753 1.00 0.00 N ATOM 164 NH2 ARG A 10 4.706 -5.502 2.359 1.00 0.00 N ATOM 0 H ARG A 10 -1.312 -5.800 6.041 1.00 0.00 H new ATOM 0 HA ARG A 10 1.021 -4.554 7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.541 -5.759 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.691 -6.904 6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.329 -7.674 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.670 -6.270 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.594 -8.490 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.912 -8.171 3.133 1.00 0.00 H new ATOM 0 HE ARG A 10 4.092 -6.665 4.473 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.614 -6.335 1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.662 -5.415 0.887 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.465 -5.566 3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.839 -4.981 1.492 1.00 0.00 H new ATOM 178 N THR A 11 1.199 -3.219 5.064 1.00 0.00 N ATOM 179 CA THR A 11 1.223 -2.319 3.944 1.00 0.00 C ATOM 180 C THR A 11 2.647 -2.345 3.351 1.00 0.00 C ATOM 181 O THR A 11 3.621 -2.532 4.098 1.00 0.00 O ATOM 182 CB THR A 11 0.903 -0.851 4.385 1.00 0.00 C ATOM 183 OG1 THR A 11 0.926 0.030 3.248 1.00 0.00 O ATOM 184 CG2 THR A 11 1.890 -0.347 5.432 1.00 0.00 C ATOM 0 H THR A 11 1.913 -3.017 5.764 1.00 0.00 H new ATOM 0 HA THR A 11 0.472 -2.634 3.220 1.00 0.00 H new ATOM 0 HB THR A 11 -0.093 -0.857 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.853 0.179 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.634 0.675 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.844 -0.987 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.899 -0.368 5.021 1.00 0.00 H new ATOM 192 N PRO A 12 2.800 -2.218 2.030 1.00 0.00 N ATOM 193 CA PRO A 12 4.103 -2.056 1.432 1.00 0.00 C ATOM 194 C PRO A 12 4.591 -0.630 1.660 1.00 0.00 C ATOM 195 O PRO A 12 3.781 0.291 1.895 1.00 0.00 O ATOM 196 CB PRO A 12 3.890 -2.314 -0.057 1.00 0.00 C ATOM 197 CG PRO A 12 2.422 -2.230 -0.293 1.00 0.00 C ATOM 198 CD PRO A 12 1.728 -2.236 1.047 1.00 0.00 C ATOM 0 HA PRO A 12 4.847 -2.730 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.423 -1.578 -0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.273 -3.294 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.177 -1.322 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.086 -3.071 -0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.077 -1.369 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.102 -3.121 1.163 1.00 0.00 H new ATOM 206 N ASN A 13 5.867 -0.433 1.611 1.00 0.00 N ATOM 207 CA ASN A 13 6.418 0.874 1.860 1.00 0.00 C ATOM 208 C ASN A 13 6.782 1.489 0.529 1.00 0.00 C ATOM 209 O ASN A 13 7.839 1.239 -0.032 1.00 0.00 O ATOM 210 CB ASN A 13 7.664 0.826 2.766 1.00 0.00 C ATOM 211 CG ASN A 13 7.659 -0.151 4.002 1.00 0.00 C ATOM 212 OD1 ASN A 13 8.723 -0.635 4.366 1.00 0.00 O ATOM 213 ND2 ASN A 13 6.520 -0.475 4.658 1.00 0.00 N ATOM 0 H ASN A 13 6.555 -1.156 1.401 1.00 0.00 H new ATOM 0 HA ASN A 13 5.670 1.470 2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.518 0.565 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.840 1.834 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.552 -1.118 5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.629 -0.076 4.361 1.00 0.00 H new ATOM 220 N CYS A 14 5.882 2.272 0.025 1.00 0.00 N ATOM 221 CA CYS A 14 6.001 2.956 -1.229 1.00 0.00 C ATOM 222 C CYS A 14 6.859 4.220 -1.148 1.00 0.00 C ATOM 223 O CYS A 14 6.692 5.139 -1.917 1.00 0.00 O ATOM 224 CB CYS A 14 4.598 3.249 -1.681 1.00 0.00 C ATOM 225 SG CYS A 14 3.443 3.794 -0.352 1.00 0.00 S ATOM 0 H CYS A 14 4.999 2.463 0.499 1.00 0.00 H new ATOM 0 HA CYS A 14 6.526 2.330 -1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.635 4.022 -2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.190 2.354 -2.150 1.00 0.00 H new ATOM 230 N SER A 15 7.824 4.204 -0.273 1.00 0.00 N ATOM 231 CA SER A 15 8.725 5.312 -0.078 1.00 0.00 C ATOM 232 C SER A 15 10.112 4.908 -0.598 1.00 0.00 C ATOM 233 O SER A 15 11.149 5.371 -0.123 1.00 0.00 O ATOM 234 CB SER A 15 8.769 5.603 1.406 1.00 0.00 C ATOM 235 OG SER A 15 7.433 5.714 1.903 1.00 0.00 O ATOM 0 H SER A 15 8.013 3.409 0.337 1.00 0.00 H new ATOM 0 HA SER A 15 8.399 6.202 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.299 4.807 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.317 6.527 1.592 1.00 0.00 H new ATOM 0 HG SER A 15 7.456 5.901 2.865 1.00 0.00 H new ATOM 241 N GLN A 16 10.103 4.086 -1.620 1.00 0.00 N ATOM 242 CA GLN A 16 11.322 3.503 -2.171 1.00 0.00 C ATOM 243 C GLN A 16 11.458 3.842 -3.639 1.00 0.00 C ATOM 244 O GLN A 16 12.085 3.123 -4.425 1.00 0.00 O ATOM 245 CB GLN A 16 11.289 2.004 -1.954 1.00 0.00 C ATOM 246 CG GLN A 16 10.013 1.346 -2.595 1.00 0.00 C ATOM 247 CD GLN A 16 9.967 -0.171 -2.366 1.00 0.00 C ATOM 248 OE1 GLN A 16 11.016 -0.804 -2.238 1.00 0.00 O ATOM 249 NE2 GLN A 16 8.785 -0.784 -2.363 1.00 0.00 N ATOM 0 H GLN A 16 9.251 3.796 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 16 12.192 3.918 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.184 1.555 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.309 1.792 -0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.119 1.803 -2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.999 1.551 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.928 -0.241 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.736 -1.797 -2.253 1.00 0.00 H new ATOM 258 N TYR A 17 10.925 4.946 -3.963 1.00 0.00 N ATOM 259 CA TYR A 17 10.906 5.434 -5.319 1.00 0.00 C ATOM 260 C TYR A 17 11.980 6.476 -5.553 1.00 0.00 C ATOM 261 O TYR A 17 12.068 7.471 -4.828 1.00 0.00 O ATOM 262 CB TYR A 17 9.528 5.968 -5.670 1.00 0.00 C ATOM 263 CG TYR A 17 8.569 4.841 -5.797 1.00 0.00 C ATOM 264 CD1 TYR A 17 8.567 4.081 -6.935 1.00 0.00 C ATOM 265 CD2 TYR A 17 7.702 4.499 -4.775 1.00 0.00 C ATOM 266 CE1 TYR A 17 7.743 3.016 -7.071 1.00 0.00 C ATOM 267 CE2 TYR A 17 6.861 3.432 -4.902 1.00 0.00 C ATOM 268 CZ TYR A 17 6.878 2.690 -6.051 1.00 0.00 C ATOM 269 OH TYR A 17 6.033 1.614 -6.171 1.00 0.00 O ATOM 0 H TYR A 17 10.472 5.568 -3.294 1.00 0.00 H new ATOM 0 HA TYR A 17 11.127 4.597 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.189 6.661 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.572 6.527 -6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.238 4.337 -7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.691 5.083 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.764 2.425 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.186 3.175 -4.100 1.00 0.00 H new ATOM 0 HH TYR A 17 5.672 1.382 -5.290 1.00 0.00 H new ATOM 279 N ARG A 18 12.787 6.253 -6.574 1.00 0.00 N ATOM 280 CA ARG A 18 13.913 7.130 -6.904 1.00 0.00 C ATOM 281 C ARG A 18 13.519 8.346 -7.726 1.00 0.00 C ATOM 282 O ARG A 18 14.377 9.116 -8.158 1.00 0.00 O ATOM 283 CB ARG A 18 15.034 6.349 -7.590 1.00 0.00 C ATOM 284 CG ARG A 18 16.040 5.756 -6.625 1.00 0.00 C ATOM 285 CD ARG A 18 16.867 6.863 -5.986 1.00 0.00 C ATOM 286 NE ARG A 18 17.851 6.364 -5.037 1.00 0.00 N ATOM 287 CZ ARG A 18 19.154 6.690 -5.020 1.00 0.00 C ATOM 288 NH1 ARG A 18 19.690 7.427 -6.002 1.00 0.00 N ATOM 289 NH2 ARG A 18 19.922 6.254 -4.033 1.00 0.00 N ATOM 0 H ARG A 18 12.686 5.458 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 18 14.280 7.515 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.596 5.546 -8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.554 7.010 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.523 5.186 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.694 5.060 -7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.378 7.425 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.200 7.559 -5.477 1.00 0.00 H new ATOM 0 HE ARG A 18 17.524 5.712 -4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.107 7.748 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.681 7.667 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.523 5.675 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.912 6.497 -4.012 1.00 0.00 H new ATOM 303 N LEU A 19 12.255 8.529 -7.916 1.00 0.00 N ATOM 304 CA LEU A 19 11.753 9.638 -8.607 1.00 0.00 C ATOM 305 C LEU A 19 10.968 10.429 -7.567 1.00 0.00 C ATOM 306 O LEU A 19 10.386 9.807 -6.688 1.00 0.00 O ATOM 307 CB LEU A 19 10.806 9.137 -9.705 1.00 0.00 C ATOM 308 CG LEU A 19 10.309 10.204 -10.640 1.00 0.00 C ATOM 309 CD1 LEU A 19 11.409 10.691 -11.576 1.00 0.00 C ATOM 310 CD2 LEU A 19 9.077 9.773 -11.401 1.00 0.00 C ATOM 0 H LEU A 19 11.536 7.888 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 19 12.533 10.242 -9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.320 8.372 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.948 8.657 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 19 10.013 11.050 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.010 11.461 -12.236 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.229 11.105 -10.989 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.775 9.856 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.758 10.578 -12.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.306 8.887 -11.993 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.277 9.542 -10.698 1.00 0.00 H new ATOM 322 N PRO A 20 10.966 11.789 -7.607 1.00 0.00 N ATOM 323 CA PRO A 20 10.182 12.613 -6.654 1.00 0.00 C ATOM 324 C PRO A 20 8.686 12.257 -6.667 1.00 0.00 C ATOM 325 O PRO A 20 7.971 12.445 -5.680 1.00 0.00 O ATOM 326 CB PRO A 20 10.401 14.059 -7.142 1.00 0.00 C ATOM 327 CG PRO A 20 11.015 13.937 -8.499 1.00 0.00 C ATOM 328 CD PRO A 20 11.767 12.637 -8.504 1.00 0.00 C ATOM 0 HA PRO A 20 10.504 12.452 -5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.458 14.605 -7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.055 14.607 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.249 13.947 -9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.683 14.774 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.835 12.214 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.787 12.759 -8.140 1.00 0.00 H new ATOM 336 N GLY A 21 8.235 11.755 -7.791 1.00 0.00 N ATOM 337 CA GLY A 21 6.884 11.308 -7.922 1.00 0.00 C ATOM 338 C GLY A 21 6.824 9.802 -8.014 1.00 0.00 C ATOM 339 O GLY A 21 7.313 9.095 -7.125 1.00 0.00 O ATOM 0 H GLY A 21 8.799 11.648 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.299 11.648 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.435 11.749 -8.812 1.00 0.00 H new ATOM 343 N CYS A 22 6.292 9.312 -9.102 1.00 0.00 N ATOM 344 CA CYS A 22 6.111 7.889 -9.303 1.00 0.00 C ATOM 345 C CYS A 22 6.336 7.541 -10.762 1.00 0.00 C ATOM 346 O CYS A 22 5.709 8.127 -11.639 1.00 0.00 O ATOM 347 CB CYS A 22 4.677 7.472 -8.904 1.00 0.00 C ATOM 348 SG CYS A 22 4.275 7.728 -7.154 1.00 0.00 S ATOM 0 H CYS A 22 5.969 9.887 -9.880 1.00 0.00 H new ATOM 0 HA CYS A 22 6.831 7.357 -8.681 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.967 8.033 -9.512 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.539 6.418 -9.144 1.00 0.00 H new ATOM 353 N PRO A 23 7.272 6.650 -11.061 1.00 0.00 N ATOM 354 CA PRO A 23 7.466 6.162 -12.411 1.00 0.00 C ATOM 355 C PRO A 23 6.549 4.948 -12.683 1.00 0.00 C ATOM 356 O PRO A 23 6.488 3.987 -11.884 1.00 0.00 O ATOM 357 CB PRO A 23 8.929 5.760 -12.394 1.00 0.00 C ATOM 358 CG PRO A 23 9.066 5.174 -11.050 1.00 0.00 C ATOM 359 CD PRO A 23 8.264 6.064 -10.133 1.00 0.00 C ATOM 0 HA PRO A 23 7.226 6.886 -13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.164 5.041 -13.179 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.590 6.615 -12.536 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.691 4.151 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.111 5.137 -10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.788 5.500 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.883 6.828 -9.662 1.00 0.00 H new ATOM 367 N ARG A 24 5.861 5.016 -13.796 1.00 0.00 N ATOM 368 CA ARG A 24 4.884 4.035 -14.250 1.00 0.00 C ATOM 369 C ARG A 24 3.597 4.036 -13.435 1.00 0.00 C ATOM 370 O ARG A 24 3.588 4.303 -12.227 1.00 0.00 O ATOM 371 CB ARG A 24 5.459 2.647 -14.346 1.00 0.00 C ATOM 372 CG ARG A 24 6.514 2.535 -15.405 1.00 0.00 C ATOM 373 CD ARG A 24 6.850 1.106 -15.638 1.00 0.00 C ATOM 374 NE ARG A 24 7.472 0.474 -14.462 1.00 0.00 N ATOM 375 CZ ARG A 24 7.760 -0.824 -14.342 1.00 0.00 C ATOM 376 NH1 ARG A 24 7.470 -1.672 -15.330 1.00 0.00 N ATOM 377 NH2 ARG A 24 8.347 -1.273 -13.229 1.00 0.00 N ATOM 0 H ARG A 24 5.967 5.793 -14.448 1.00 0.00 H new ATOM 0 HA ARG A 24 4.617 4.354 -15.257 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.884 2.366 -13.383 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.658 1.939 -14.559 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.162 2.990 -16.331 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.406 3.082 -15.101 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.944 0.561 -15.902 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.527 1.029 -16.489 1.00 0.00 H new ATOM 0 HE ARG A 24 7.702 1.079 -13.673 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.026 -1.330 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.692 -2.663 -15.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.573 -0.625 -12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.569 -2.264 -13.134 1.00 0.00 H new ATOM 391 N HIS A 25 2.513 3.817 -14.112 1.00 0.00 N ATOM 392 CA HIS A 25 1.213 3.701 -13.471 1.00 0.00 C ATOM 393 C HIS A 25 0.771 2.268 -13.434 1.00 0.00 C ATOM 394 O HIS A 25 0.384 1.687 -14.461 1.00 0.00 O ATOM 395 CB HIS A 25 0.140 4.582 -14.122 1.00 0.00 C ATOM 396 CG HIS A 25 0.213 6.018 -13.718 1.00 0.00 C ATOM 397 ND1 HIS A 25 0.601 7.028 -14.563 1.00 0.00 N ATOM 398 CD2 HIS A 25 -0.086 6.612 -12.542 1.00 0.00 C ATOM 399 CE1 HIS A 25 0.539 8.175 -13.921 1.00 0.00 C ATOM 400 NE2 HIS A 25 0.125 7.951 -12.697 1.00 0.00 N ATOM 0 H HIS A 25 2.490 3.711 -15.126 1.00 0.00 H new ATOM 0 HA HIS A 25 1.335 4.066 -12.451 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.235 4.514 -15.206 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.844 4.191 -13.863 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.429 6.118 -11.645 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.788 9.141 -14.334 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.016 8.661 -11.979 1.00 0.00 H new ATOM 409 N PHE A 26 0.854 1.699 -12.272 1.00 0.00 N ATOM 410 CA PHE A 26 0.496 0.334 -12.036 1.00 0.00 C ATOM 411 C PHE A 26 -0.181 0.204 -10.686 1.00 0.00 C ATOM 412 O PHE A 26 0.032 1.047 -9.787 1.00 0.00 O ATOM 413 CB PHE A 26 1.740 -0.595 -12.140 1.00 0.00 C ATOM 414 CG PHE A 26 3.006 -0.115 -11.418 1.00 0.00 C ATOM 415 CD1 PHE A 26 3.010 0.171 -10.058 1.00 0.00 C ATOM 416 CD2 PHE A 26 4.194 0.011 -12.112 1.00 0.00 C ATOM 417 CE1 PHE A 26 4.156 0.573 -9.413 1.00 0.00 C ATOM 418 CE2 PHE A 26 5.350 0.419 -11.473 1.00 0.00 C ATOM 419 CZ PHE A 26 5.331 0.700 -10.120 1.00 0.00 C ATOM 0 H PHE A 26 1.182 2.185 -11.437 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.208 0.017 -12.805 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.470 -1.574 -11.744 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.978 -0.732 -13.195 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.093 0.075 -9.495 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.220 -0.212 -13.168 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.135 0.789 -8.355 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.269 0.518 -12.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.234 1.018 -9.619 1.00 0.00 H new ATOM 429 N ASN A 27 -1.005 -0.813 -10.523 1.00 0.00 N ATOM 430 CA ASN A 27 -1.639 -1.050 -9.257 1.00 0.00 C ATOM 431 C ASN A 27 -1.374 -2.513 -8.841 1.00 0.00 C ATOM 432 O ASN A 27 -2.183 -3.383 -9.095 1.00 0.00 O ATOM 433 CB ASN A 27 -3.238 -0.721 -9.244 1.00 0.00 C ATOM 434 CG ASN A 27 -3.591 0.744 -9.482 1.00 0.00 C ATOM 435 OD1 ASN A 27 -4.673 1.053 -9.979 1.00 0.00 O ATOM 436 ND2 ASN A 27 -2.696 1.649 -9.180 1.00 0.00 N ATOM 0 H ASN A 27 -1.246 -1.482 -11.254 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.203 -0.358 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.726 -1.327 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.650 -1.028 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.888 2.635 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.806 1.369 -8.769 1.00 0.00 H new ATOM 443 N PRO A 28 -0.189 -2.790 -8.294 1.00 0.00 N ATOM 444 CA PRO A 28 0.177 -4.116 -7.775 1.00 0.00 C ATOM 445 C PRO A 28 -0.676 -4.652 -6.652 1.00 0.00 C ATOM 446 O PRO A 28 -1.108 -5.772 -6.709 1.00 0.00 O ATOM 447 CB PRO A 28 1.588 -3.949 -7.257 1.00 0.00 C ATOM 448 CG PRO A 28 2.129 -2.777 -7.994 1.00 0.00 C ATOM 449 CD PRO A 28 0.953 -1.889 -8.309 1.00 0.00 C ATOM 0 HA PRO A 28 0.047 -4.838 -8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.596 -3.777 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.185 -4.842 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.865 -2.246 -7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.633 -3.092 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.844 -1.096 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.067 -1.407 -9.280 1.00 0.00 H new ATOM 457 N VAL A 29 -0.967 -3.845 -5.681 1.00 0.00 N ATOM 458 CA VAL A 29 -1.521 -4.353 -4.452 1.00 0.00 C ATOM 459 C VAL A 29 -2.995 -4.101 -4.322 1.00 0.00 C ATOM 460 O VAL A 29 -3.606 -3.353 -5.105 1.00 0.00 O ATOM 461 CB VAL A 29 -0.757 -3.838 -3.212 1.00 0.00 C ATOM 462 CG1 VAL A 29 0.721 -4.186 -3.327 1.00 0.00 C ATOM 463 CG2 VAL A 29 -0.963 -2.344 -2.986 1.00 0.00 C ATOM 0 H VAL A 29 -0.833 -2.834 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.391 -5.434 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.167 -4.340 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.251 -3.819 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.836 -5.268 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.136 -3.721 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.406 -2.029 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.607 -1.792 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.024 -2.141 -2.837 1.00 0.00 H new ATOM 473 N CYS A 30 -3.554 -4.697 -3.328 1.00 0.00 N ATOM 474 CA CYS A 30 -4.954 -4.749 -3.190 1.00 0.00 C ATOM 475 C CYS A 30 -5.364 -3.974 -1.975 1.00 0.00 C ATOM 476 O CYS A 30 -4.814 -4.149 -0.905 1.00 0.00 O ATOM 477 CB CYS A 30 -5.395 -6.216 -3.073 1.00 0.00 C ATOM 478 SG CYS A 30 -7.101 -6.600 -3.634 1.00 0.00 S ATOM 0 H CYS A 30 -3.039 -5.166 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.434 -4.306 -4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.700 -6.829 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.301 -6.519 -2.030 1.00 0.00 H new ATOM 483 N GLY A 31 -6.289 -3.130 -2.172 1.00 0.00 N ATOM 484 CA GLY A 31 -6.849 -2.291 -1.150 1.00 0.00 C ATOM 485 C GLY A 31 -7.585 -3.006 -0.018 1.00 0.00 C ATOM 486 O GLY A 31 -8.632 -3.605 -0.245 1.00 0.00 O ATOM 0 H GLY A 31 -6.712 -2.982 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.045 -1.698 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.541 -1.593 -1.621 1.00 0.00 H new ATOM 490 N SER A 32 -7.037 -2.950 1.222 1.00 0.00 N ATOM 491 CA SER A 32 -7.743 -3.515 2.383 1.00 0.00 C ATOM 492 C SER A 32 -8.750 -2.484 2.842 1.00 0.00 C ATOM 493 O SER A 32 -9.768 -2.794 3.452 1.00 0.00 O ATOM 494 CB SER A 32 -6.747 -3.850 3.515 1.00 0.00 C ATOM 495 OG SER A 32 -7.382 -4.279 4.717 1.00 0.00 O ATOM 0 H SER A 32 -6.132 -2.530 1.434 1.00 0.00 H new ATOM 0 HA SER A 32 -8.245 -4.444 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.068 -4.631 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.140 -2.970 3.727 1.00 0.00 H new ATOM 0 HG SER A 32 -6.708 -4.628 5.337 1.00 0.00 H new ATOM 501 N ASP A 33 -8.449 -1.248 2.506 1.00 0.00 N ATOM 502 CA ASP A 33 -9.289 -0.111 2.812 1.00 0.00 C ATOM 503 C ASP A 33 -10.083 0.282 1.585 1.00 0.00 C ATOM 504 O ASP A 33 -10.539 1.424 1.456 1.00 0.00 O ATOM 505 CB ASP A 33 -8.430 1.053 3.321 1.00 0.00 C ATOM 506 CG ASP A 33 -7.866 0.768 4.693 1.00 0.00 C ATOM 507 OD1 ASP A 33 -6.824 0.101 4.807 1.00 0.00 O ATOM 508 OD2 ASP A 33 -8.498 1.164 5.694 1.00 0.00 O ATOM 0 H ASP A 33 -7.597 -1.001 2.003 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.993 -0.377 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.614 1.237 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.031 1.962 3.355 1.00 0.00 H new ATOM 513 N MET A 34 -10.255 -0.711 0.700 1.00 0.00 N ATOM 514 CA MET A 34 -11.019 -0.616 -0.546 1.00 0.00 C ATOM 515 C MET A 34 -10.396 0.412 -1.495 1.00 0.00 C ATOM 516 O MET A 34 -10.731 1.571 -1.442 1.00 0.00 O ATOM 517 CB MET A 34 -12.524 -0.331 -0.244 1.00 0.00 C ATOM 518 CG MET A 34 -13.514 -0.495 -1.414 1.00 0.00 C ATOM 519 SD MET A 34 -13.408 0.769 -2.707 1.00 0.00 S ATOM 520 CE MET A 34 -13.814 2.256 -1.770 1.00 0.00 C ATOM 0 H MET A 34 -9.849 -1.636 0.841 1.00 0.00 H new ATOM 0 HA MET A 34 -10.976 -1.575 -1.062 1.00 0.00 H new ATOM 0 HB2 MET A 34 -12.839 -0.993 0.562 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.607 0.689 0.130 1.00 0.00 H new ATOM 0 HG2 MET A 34 -13.352 -1.471 -1.870 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.527 -0.495 -1.012 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.538 2.851 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.240 1.974 -0.807 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.910 2.843 -1.609 1.00 0.00 H new ATOM 530 N SER A 35 -9.434 -0.061 -2.310 1.00 0.00 N ATOM 531 CA SER A 35 -8.650 0.710 -3.326 1.00 0.00 C ATOM 532 C SER A 35 -7.513 -0.174 -3.924 1.00 0.00 C ATOM 533 O SER A 35 -6.618 -0.517 -3.263 1.00 0.00 O ATOM 534 CB SER A 35 -7.978 1.991 -2.751 1.00 0.00 C ATOM 535 OG SER A 35 -8.893 3.004 -2.375 1.00 0.00 O ATOM 0 H SER A 35 -9.159 -1.043 -2.286 1.00 0.00 H new ATOM 0 HA SER A 35 -9.376 1.005 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.380 1.716 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.292 2.394 -3.496 1.00 0.00 H new ATOM 0 HG SER A 35 -9.482 2.667 -1.669 1.00 0.00 H new ATOM 541 N THR A 36 -7.612 -0.546 -5.122 1.00 0.00 N ATOM 542 CA THR A 36 -6.512 -1.242 -5.837 1.00 0.00 C ATOM 543 C THR A 36 -5.390 -0.214 -6.190 1.00 0.00 C ATOM 544 O THR A 36 -5.627 0.759 -6.914 1.00 0.00 O ATOM 545 CB THR A 36 -7.059 -1.850 -7.135 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.334 -2.461 -6.857 1.00 0.00 O ATOM 547 CG2 THR A 36 -6.114 -2.917 -7.651 1.00 0.00 C ATOM 0 H THR A 36 -8.447 -0.400 -5.689 1.00 0.00 H new ATOM 0 HA THR A 36 -6.104 -2.028 -5.201 1.00 0.00 H new ATOM 0 HB THR A 36 -7.161 -1.065 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.696 -2.852 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.513 -3.341 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.138 -2.474 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.011 -3.704 -6.904 1.00 0.00 H new ATOM 555 N TYR A 37 -4.203 -0.413 -5.616 1.00 0.00 N ATOM 556 CA TYR A 37 -3.103 0.565 -5.678 1.00 0.00 C ATOM 557 C TYR A 37 -1.716 -0.068 -5.555 1.00 0.00 C ATOM 558 O TYR A 37 -1.594 -1.244 -5.721 1.00 0.00 O ATOM 559 CB TYR A 37 -3.280 1.660 -4.619 1.00 0.00 C ATOM 560 CG TYR A 37 -3.825 1.260 -3.298 1.00 0.00 C ATOM 561 CD1 TYR A 37 -3.729 -0.032 -2.788 1.00 0.00 C ATOM 562 CD2 TYR A 37 -4.455 2.205 -2.557 1.00 0.00 C ATOM 563 CE1 TYR A 37 -4.254 -0.341 -1.568 1.00 0.00 C ATOM 564 CE2 TYR A 37 -4.985 1.921 -1.354 1.00 0.00 C ATOM 565 CZ TYR A 37 -4.892 0.643 -0.840 1.00 0.00 C ATOM 566 OH TYR A 37 -5.471 0.344 0.377 1.00 0.00 O ATOM 0 H TYR A 37 -3.971 -1.257 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.158 1.010 -6.672 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.309 2.127 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.935 2.426 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.233 -0.798 -3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.533 3.211 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.172 -1.344 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.484 2.694 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.389 0.687 0.396 1.00 0.00 H new ATOM 576 N ALA A 38 -0.677 0.808 -5.416 1.00 0.00 N ATOM 577 CA ALA A 38 0.733 0.505 -4.952 1.00 0.00 C ATOM 578 C ALA A 38 1.703 1.436 -5.605 1.00 0.00 C ATOM 579 O ALA A 38 2.028 1.257 -6.766 1.00 0.00 O ATOM 580 CB ALA A 38 1.261 -0.948 -5.134 1.00 0.00 C ATOM 0 H ALA A 38 -0.795 1.798 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 38 0.661 0.644 -3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.282 -1.014 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.625 -1.638 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.247 -1.210 -6.192 1.00 0.00 H new ATOM 586 N ASN A 39 2.071 2.470 -4.876 1.00 0.00 N ATOM 587 CA ASN A 39 3.105 3.442 -5.250 1.00 0.00 C ATOM 588 C ASN A 39 3.039 4.611 -4.315 1.00 0.00 C ATOM 589 O ASN A 39 2.140 4.666 -3.491 1.00 0.00 O ATOM 590 CB ASN A 39 3.113 3.900 -6.753 1.00 0.00 C ATOM 591 CG ASN A 39 1.830 4.571 -7.188 1.00 0.00 C ATOM 592 OD1 ASN A 39 1.681 5.742 -7.039 1.00 0.00 O ATOM 593 ND2 ASN A 39 0.887 3.826 -7.719 1.00 0.00 N ATOM 0 H ASN A 39 1.648 2.673 -3.970 1.00 0.00 H new ATOM 0 HA ASN A 39 4.056 2.918 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.944 4.587 -6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.293 3.032 -7.388 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.007 4.250 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.035 2.824 -7.838 1.00 0.00 H new ATOM 600 N GLU A 40 3.981 5.525 -4.429 1.00 0.00 N ATOM 601 CA GLU A 40 4.080 6.715 -3.559 1.00 0.00 C ATOM 602 C GLU A 40 2.846 7.618 -3.743 1.00 0.00 C ATOM 603 O GLU A 40 2.416 8.310 -2.838 1.00 0.00 O ATOM 604 CB GLU A 40 5.362 7.493 -3.939 1.00 0.00 C ATOM 605 CG GLU A 40 5.618 8.803 -3.185 1.00 0.00 C ATOM 606 CD GLU A 40 6.031 8.626 -1.738 1.00 0.00 C ATOM 607 OE1 GLU A 40 7.208 8.285 -1.474 1.00 0.00 O ATOM 608 OE2 GLU A 40 5.227 8.875 -0.841 1.00 0.00 O ATOM 0 H GLU A 40 4.717 5.476 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 40 4.123 6.404 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.218 6.837 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.322 7.716 -5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.396 9.361 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.713 9.410 -3.220 1.00 0.00 H new ATOM 615 N CYS A 41 2.215 7.464 -4.869 1.00 0.00 N ATOM 616 CA CYS A 41 1.183 8.365 -5.313 1.00 0.00 C ATOM 617 C CYS A 41 -0.146 7.709 -5.120 1.00 0.00 C ATOM 618 O CYS A 41 -1.182 8.369 -5.086 1.00 0.00 O ATOM 619 CB CYS A 41 1.412 8.761 -6.785 1.00 0.00 C ATOM 620 SG CYS A 41 3.099 9.396 -7.131 1.00 0.00 S ATOM 0 H CYS A 41 2.402 6.699 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 41 1.210 9.282 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.224 7.894 -7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.684 9.523 -7.064 1.00 0.00 H new ATOM 625 N THR A 42 -0.135 6.397 -5.006 1.00 0.00 N ATOM 626 CA THR A 42 -1.311 5.740 -4.660 1.00 0.00 C ATOM 627 C THR A 42 -1.322 5.463 -3.190 1.00 0.00 C ATOM 628 O THR A 42 -2.099 6.076 -2.495 1.00 0.00 O ATOM 629 CB THR A 42 -1.645 4.494 -5.466 1.00 0.00 C ATOM 630 OG1 THR A 42 -0.549 3.599 -5.464 1.00 0.00 O ATOM 631 CG2 THR A 42 -2.061 4.845 -6.887 1.00 0.00 C ATOM 0 H THR A 42 0.679 5.799 -5.152 1.00 0.00 H new ATOM 0 HA THR A 42 -2.113 6.429 -4.924 1.00 0.00 H new ATOM 0 HB THR A 42 -2.494 4.002 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.490 3.156 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.292 3.931 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.943 5.485 -6.860 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.246 5.370 -7.385 1.00 0.00 H new ATOM 639 N LEU A 43 -0.375 4.628 -2.652 1.00 0.00 N ATOM 640 CA LEU A 43 -0.538 4.364 -1.193 1.00 0.00 C ATOM 641 C LEU A 43 -0.057 5.434 -0.427 1.00 0.00 C ATOM 642 O LEU A 43 -0.730 5.903 0.322 1.00 0.00 O ATOM 643 CB LEU A 43 0.107 3.167 -0.534 1.00 0.00 C ATOM 644 CG LEU A 43 -0.367 1.835 -0.908 1.00 0.00 C ATOM 645 CD1 LEU A 43 0.384 0.771 -0.139 1.00 0.00 C ATOM 646 CD2 LEU A 43 -1.776 1.736 -0.567 1.00 0.00 C ATOM 0 H LEU A 43 0.407 4.182 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.613 4.183 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.177 3.210 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.015 3.274 0.544 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.208 1.686 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.019 -0.214 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.448 0.844 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.227 0.915 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.148 0.748 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.903 1.889 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.336 2.497 -1.111 1.00 0.00 H new ATOM 658 N CYS A 44 1.145 5.801 -0.615 1.00 0.00 N ATOM 659 CA CYS A 44 1.767 6.761 0.286 1.00 0.00 C ATOM 660 C CYS A 44 1.024 8.095 0.432 1.00 0.00 C ATOM 661 O CYS A 44 1.116 8.752 1.472 1.00 0.00 O ATOM 662 CB CYS A 44 3.263 6.878 0.090 1.00 0.00 C ATOM 663 SG CYS A 44 4.288 5.409 0.565 1.00 0.00 S ATOM 0 H CYS A 44 1.741 5.470 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 44 1.650 6.324 1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.451 7.098 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.614 7.736 0.663 1.00 0.00 H new ATOM 668 N MET A 45 0.250 8.443 -0.560 1.00 0.00 N ATOM 669 CA MET A 45 -0.666 9.553 -0.438 1.00 0.00 C ATOM 670 C MET A 45 -1.770 9.131 0.517 1.00 0.00 C ATOM 671 O MET A 45 -1.953 9.717 1.615 1.00 0.00 O ATOM 672 CB MET A 45 -1.213 9.909 -1.813 1.00 0.00 C ATOM 673 CG MET A 45 -0.126 10.368 -2.722 1.00 0.00 C ATOM 674 SD MET A 45 0.725 11.837 -2.122 1.00 0.00 S ATOM 675 CE MET A 45 2.077 11.944 -3.293 1.00 0.00 C ATOM 0 H MET A 45 0.233 7.975 -1.466 1.00 0.00 H new ATOM 0 HA MET A 45 -0.172 10.442 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.710 9.041 -2.246 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.965 10.692 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.598 9.563 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.547 10.576 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.698 12.807 -3.054 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.679 11.037 -3.237 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.677 12.052 -4.301 1.00 0.00 H new ATOM 685 N LYS A 46 -2.423 8.029 0.150 1.00 0.00 N ATOM 686 CA LYS A 46 -3.471 7.399 0.982 1.00 0.00 C ATOM 687 C LYS A 46 -2.974 7.125 2.362 1.00 0.00 C ATOM 688 O LYS A 46 -3.686 7.342 3.326 1.00 0.00 O ATOM 689 CB LYS A 46 -3.882 5.996 0.513 1.00 0.00 C ATOM 690 CG LYS A 46 -4.493 5.817 -0.842 1.00 0.00 C ATOM 691 CD LYS A 46 -5.802 6.571 -1.038 1.00 0.00 C ATOM 692 CE LYS A 46 -6.925 5.991 -0.198 1.00 0.00 C ATOM 693 NZ LYS A 46 -8.200 6.691 -0.432 1.00 0.00 N ATOM 0 H LYS A 46 -2.248 7.542 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.293 8.112 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.994 5.365 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.589 5.602 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.779 6.147 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.669 4.755 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.659 7.620 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.084 6.540 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.043 4.933 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.662 6.058 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.989 6.087 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.213 7.579 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.299 6.903 -1.445 1.00 0.00 H new ATOM 707 N ILE A 47 -1.790 6.602 2.454 1.00 0.00 N ATOM 708 CA ILE A 47 -1.397 6.038 3.630 1.00 0.00 C ATOM 709 C ILE A 47 -1.088 7.091 4.690 1.00 0.00 C ATOM 710 O ILE A 47 -1.297 6.872 5.885 1.00 0.00 O ATOM 711 CB ILE A 47 -0.253 5.004 3.478 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.332 4.036 4.624 1.00 0.00 C ATOM 713 CG2 ILE A 47 1.114 5.691 3.488 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.732 2.974 4.618 1.00 0.00 C ATOM 0 H ILE A 47 -1.102 6.573 1.702 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.255 5.464 3.981 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.366 4.486 2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.266 4.593 5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.309 3.553 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.898 4.942 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.172 6.399 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.247 6.222 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.598 2.320 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.655 2.387 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.715 3.443 4.667 1.00 0.00 H new ATOM 726 N ARG A 48 -0.576 8.238 4.220 1.00 0.00 N ATOM 727 CA ARG A 48 -0.193 9.308 5.091 1.00 0.00 C ATOM 728 C ARG A 48 -1.444 9.851 5.740 1.00 0.00 C ATOM 729 O ARG A 48 -1.438 10.144 6.936 1.00 0.00 O ATOM 730 CB ARG A 48 0.622 10.354 4.289 1.00 0.00 C ATOM 731 CG ARG A 48 1.274 11.478 5.097 1.00 0.00 C ATOM 732 CD ARG A 48 0.353 12.662 5.295 1.00 0.00 C ATOM 733 NE ARG A 48 0.030 13.318 4.011 1.00 0.00 N ATOM 734 CZ ARG A 48 -0.692 14.441 3.881 1.00 0.00 C ATOM 735 NH1 ARG A 48 -1.190 15.045 4.954 1.00 0.00 N ATOM 736 NH2 ARG A 48 -0.902 14.965 2.682 1.00 0.00 N ATOM 0 H ARG A 48 -0.425 8.429 3.229 1.00 0.00 H new ATOM 0 HA ARG A 48 0.465 8.976 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.405 9.829 3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.038 10.805 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.578 11.092 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.180 11.808 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.567 12.332 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.823 13.382 5.964 1.00 0.00 H new ATOM 0 HE ARG A 48 0.383 12.884 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.024 14.655 5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.738 15.899 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.514 14.514 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.452 15.819 2.588 1.00 0.00 H new ATOM 750 N GLU A 49 -2.522 9.921 4.935 1.00 0.00 N ATOM 751 CA GLU A 49 -3.904 10.215 5.404 1.00 0.00 C ATOM 752 C GLU A 49 -4.809 10.464 4.228 1.00 0.00 C ATOM 753 O GLU A 49 -5.881 11.060 4.369 1.00 0.00 O ATOM 754 CB GLU A 49 -3.991 11.402 6.374 1.00 0.00 C ATOM 755 CG GLU A 49 -3.505 12.728 5.815 1.00 0.00 C ATOM 756 CD GLU A 49 -3.577 13.838 6.824 1.00 0.00 C ATOM 757 OE1 GLU A 49 -2.649 13.970 7.659 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.549 14.628 6.795 1.00 0.00 O ATOM 0 H GLU A 49 -2.464 9.774 3.927 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.226 9.333 5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.028 11.517 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.410 11.166 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.476 12.619 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.105 12.993 4.944 1.00 0.00 H new ATOM 765 N GLY A 50 -4.421 9.953 3.080 1.00 0.00 N ATOM 766 CA GLY A 50 -5.260 10.091 1.931 1.00 0.00 C ATOM 767 C GLY A 50 -6.432 9.183 2.102 1.00 0.00 C ATOM 768 O GLY A 50 -7.477 9.374 1.492 1.00 0.00 O ATOM 0 H GLY A 50 -3.547 9.450 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.591 11.124 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.710 9.836 1.025 1.00 0.00 H new ATOM 772 N GLY A 51 -6.250 8.140 2.908 1.00 0.00 N ATOM 773 CA GLY A 51 -7.384 7.387 3.279 1.00 0.00 C ATOM 774 C GLY A 51 -7.410 7.107 4.750 1.00 0.00 C ATOM 775 O GLY A 51 -8.232 7.640 5.505 1.00 0.00 O ATOM 0 H GLY A 51 -5.357 7.827 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.287 7.927 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.391 6.445 2.730 1.00 0.00 H new ATOM 779 N HIS A 52 -6.524 6.277 5.136 1.00 0.00 N ATOM 780 CA HIS A 52 -6.473 5.710 6.422 1.00 0.00 C ATOM 781 C HIS A 52 -5.026 5.336 6.545 1.00 0.00 C ATOM 782 O HIS A 52 -4.247 5.684 5.656 1.00 0.00 O ATOM 783 CB HIS A 52 -7.402 4.464 6.413 1.00 0.00 C ATOM 784 CG HIS A 52 -7.667 3.809 7.741 1.00 0.00 C ATOM 785 ND1 HIS A 52 -7.889 2.469 7.867 1.00 0.00 N ATOM 786 CD2 HIS A 52 -7.782 4.321 8.984 1.00 0.00 C ATOM 787 CE1 HIS A 52 -8.118 2.172 9.123 1.00 0.00 C ATOM 788 NE2 HIS A 52 -8.058 3.280 9.823 1.00 0.00 N ATOM 0 H HIS A 52 -5.771 5.956 4.527 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.798 6.346 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.359 4.756 5.981 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.966 3.719 5.747 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.878 1.798 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.676 5.359 9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.321 1.186 9.514 1.00 0.00 H new ATOM 797 N ASN A 53 -4.648 4.665 7.555 1.00 0.00 N ATOM 798 CA ASN A 53 -3.352 4.066 7.560 1.00 0.00 C ATOM 799 C ASN A 53 -3.485 2.731 6.807 1.00 0.00 C ATOM 800 O ASN A 53 -3.907 1.724 7.378 1.00 0.00 O ATOM 801 CB ASN A 53 -2.843 3.849 8.985 1.00 0.00 C ATOM 802 CG ASN A 53 -1.378 3.324 9.063 1.00 0.00 C ATOM 803 OD1 ASN A 53 -1.045 2.581 9.991 1.00 0.00 O ATOM 804 ND2 ASN A 53 -0.478 3.708 8.125 1.00 0.00 N ATOM 0 H ASN A 53 -5.205 4.508 8.395 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.623 4.716 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.910 4.790 9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.499 3.140 9.490 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.487 3.383 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.766 4.322 7.363 1.00 0.00 H new ATOM 811 N ILE A 54 -3.258 2.803 5.500 1.00 0.00 N ATOM 812 CA ILE A 54 -3.368 1.672 4.560 1.00 0.00 C ATOM 813 C ILE A 54 -2.613 0.441 4.954 1.00 0.00 C ATOM 814 O ILE A 54 -1.524 0.486 5.530 1.00 0.00 O ATOM 815 CB ILE A 54 -3.086 2.066 3.036 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.273 2.838 2.356 1.00 0.00 C ATOM 817 CG2 ILE A 54 -2.851 0.807 2.241 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.848 3.991 3.122 1.00 0.00 C ATOM 0 H ILE A 54 -2.984 3.672 5.043 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.422 1.405 4.633 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.218 2.726 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.930 3.208 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.074 2.126 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.658 1.065 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.992 0.274 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.734 0.170 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.659 4.441 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.233 3.637 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.071 4.735 3.297 1.00 0.00 H new ATOM 830 N LYS A 55 -3.292 -0.649 4.728 1.00 0.00 N ATOM 831 CA LYS A 55 -2.760 -1.922 4.719 1.00 0.00 C ATOM 832 C LYS A 55 -3.331 -2.516 3.486 1.00 0.00 C ATOM 833 O LYS A 55 -4.443 -2.133 3.071 1.00 0.00 O ATOM 834 CB LYS A 55 -3.081 -2.773 5.966 1.00 0.00 C ATOM 835 CG LYS A 55 -4.548 -2.906 6.373 1.00 0.00 C ATOM 836 CD LYS A 55 -5.063 -1.671 7.088 1.00 0.00 C ATOM 837 CE LYS A 55 -6.508 -1.837 7.524 1.00 0.00 C ATOM 838 NZ LYS A 55 -7.412 -2.013 6.372 1.00 0.00 N ATOM 0 H LYS A 55 -4.294 -0.637 4.536 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.671 -1.889 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.686 -3.775 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.535 -2.352 6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.154 -3.088 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.665 -3.774 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.441 -1.469 7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.979 -0.807 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.591 -2.699 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.817 -0.963 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.391 -1.820 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.141 -1.354 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.342 -2.990 6.022 1.00 0.00 H new ATOM 852 N ILE A 56 -2.621 -3.343 2.839 1.00 0.00 N ATOM 853 CA ILE A 56 -3.136 -3.910 1.685 1.00 0.00 C ATOM 854 C ILE A 56 -3.798 -5.220 2.051 1.00 0.00 C ATOM 855 O ILE A 56 -3.487 -5.797 3.088 1.00 0.00 O ATOM 856 CB ILE A 56 -2.084 -4.168 0.643 1.00 0.00 C ATOM 857 CG1 ILE A 56 -0.978 -5.088 1.136 1.00 0.00 C ATOM 858 CG2 ILE A 56 -1.538 -2.851 0.164 1.00 0.00 C ATOM 859 CD1 ILE A 56 -0.011 -5.412 0.064 1.00 0.00 C ATOM 0 H ILE A 56 -1.679 -3.639 3.095 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.848 -3.205 1.256 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.549 -4.695 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.454 -4.614 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.416 -6.009 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.774 -3.028 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.345 -2.258 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.100 -2.312 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.762 -6.071 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.529 -5.910 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.447 -4.493 -0.302 1.00 0.00 H new ATOM 871 N ILE A 57 -4.676 -5.690 1.239 1.00 0.00 N ATOM 872 CA ILE A 57 -5.363 -6.926 1.529 1.00 0.00 C ATOM 873 C ILE A 57 -4.740 -8.050 0.775 1.00 0.00 C ATOM 874 O ILE A 57 -4.874 -9.218 1.115 1.00 0.00 O ATOM 875 CB ILE A 57 -6.853 -6.797 1.213 1.00 0.00 C ATOM 876 CG1 ILE A 57 -7.673 -7.922 1.777 1.00 0.00 C ATOM 877 CG2 ILE A 57 -7.129 -6.596 -0.255 1.00 0.00 C ATOM 878 CD1 ILE A 57 -9.173 -7.775 1.578 1.00 0.00 C ATOM 0 H ILE A 57 -4.946 -5.245 0.362 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.269 -7.143 2.593 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.172 -5.888 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.349 -8.856 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.468 -8.004 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.204 -6.512 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.639 -5.684 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.744 -7.447 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.684 -8.632 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.516 -6.861 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.396 -7.726 0.512 1.00 0.00 H new ATOM 890 N ARG A 58 -4.071 -7.684 -0.232 1.00 0.00 N ATOM 891 CA ARG A 58 -3.357 -8.571 -1.016 1.00 0.00 C ATOM 892 C ARG A 58 -2.105 -7.883 -1.561 1.00 0.00 C ATOM 893 O ARG A 58 -2.182 -6.746 -2.009 1.00 0.00 O ATOM 894 CB ARG A 58 -4.257 -9.159 -2.098 1.00 0.00 C ATOM 895 CG ARG A 58 -4.273 -10.643 -2.066 1.00 0.00 C ATOM 896 CD ARG A 58 -2.947 -11.122 -2.475 1.00 0.00 C ATOM 897 NE ARG A 58 -2.802 -11.090 -3.938 1.00 0.00 N ATOM 898 CZ ARG A 58 -1.866 -11.731 -4.648 1.00 0.00 C ATOM 899 NH1 ARG A 58 -0.872 -12.363 -4.041 1.00 0.00 N ATOM 900 NH2 ARG A 58 -1.934 -11.722 -5.972 1.00 0.00 N ATOM 0 H ARG A 58 -4.007 -6.714 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.013 -9.416 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.272 -8.783 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.915 -8.822 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.514 -11.000 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.041 -11.030 -2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.176 -10.503 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.797 -12.139 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.476 -10.528 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.815 -12.364 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.164 -12.848 -4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.695 -11.230 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.226 -12.207 -6.522 1.00 0.00 H new ATOM 914 N ASN A 59 -0.949 -8.564 -1.458 1.00 0.00 N ATOM 915 CA ASN A 59 0.372 -8.052 -1.927 1.00 0.00 C ATOM 916 C ASN A 59 0.481 -8.084 -3.446 1.00 0.00 C ATOM 917 O ASN A 59 1.520 -7.764 -4.019 1.00 0.00 O ATOM 918 CB ASN A 59 1.544 -8.853 -1.293 1.00 0.00 C ATOM 919 CG ASN A 59 1.689 -10.296 -1.799 1.00 0.00 C ATOM 920 OD1 ASN A 59 2.393 -10.563 -2.779 1.00 0.00 O ATOM 921 ND2 ASN A 59 1.060 -11.233 -1.123 1.00 0.00 N ATOM 0 H ASN A 59 -0.895 -9.495 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 59 0.443 -7.014 -1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.475 -8.320 -1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.407 -8.874 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.147 -12.210 -1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.486 -10.983 -0.318 1.00 0.00 H new ATOM 928 N GLY A 60 -0.587 -8.454 -4.064 1.00 0.00 N ATOM 929 CA GLY A 60 -0.673 -8.526 -5.473 1.00 0.00 C ATOM 930 C GLY A 60 -2.124 -8.392 -5.860 1.00 0.00 C ATOM 931 O GLY A 60 -2.974 -8.231 -4.960 1.00 0.00 O ATOM 0 H GLY A 60 -1.447 -8.722 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.082 -7.733 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.269 -9.473 -5.831 1.00 0.00 H new ATOM 935 N PRO A 61 -2.453 -8.492 -7.151 1.00 0.00 N ATOM 936 CA PRO A 61 -3.817 -8.310 -7.647 1.00 0.00 C ATOM 937 C PRO A 61 -4.818 -9.294 -7.051 1.00 0.00 C ATOM 938 O PRO A 61 -4.459 -10.430 -6.651 1.00 0.00 O ATOM 939 CB PRO A 61 -3.699 -8.546 -9.162 1.00 0.00 C ATOM 940 CG PRO A 61 -2.402 -9.248 -9.349 1.00 0.00 C ATOM 941 CD PRO A 61 -1.513 -8.766 -8.248 1.00 0.00 C ATOM 0 HA PRO A 61 -4.194 -7.324 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.529 -9.148 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.719 -7.604 -9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.532 -10.329 -9.301 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.973 -9.022 -10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.776 -9.518 -7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.962 -7.872 -8.538 1.00 0.00 H new ATOM 949 N CYS A 62 -6.034 -8.846 -6.952 1.00 0.00 N ATOM 950 CA CYS A 62 -7.131 -9.658 -6.530 1.00 0.00 C ATOM 951 C CYS A 62 -7.960 -9.920 -7.770 1.00 0.00 C ATOM 952 O CYS A 62 -8.842 -9.104 -8.091 1.00 0.00 O ATOM 953 CB CYS A 62 -7.976 -8.935 -5.440 1.00 0.00 C ATOM 954 SG CYS A 62 -7.090 -8.624 -3.866 1.00 0.00 S ATOM 955 OXT CYS A 62 -7.666 -10.893 -8.491 1.00 0.00 O ATOM 0 H CYS A 62 -6.294 -7.884 -7.168 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.782 -10.588 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -8.322 -7.982 -5.841 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.862 -9.534 -5.230 1.00 0.00 H new