USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 38 CYS SG : rot -150:sc= -0.441 USER MOD Set 1.2: A 42 CYS SG : rot 62:sc= 1.48 USER MOD Set 1.3: A 69 CYS SG : rot 169:sc= -0.314 USER MOD Set 1.4: A 72 CYS SG : rot -50:sc= -0.307 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.972 K(o=1.8,f=-6.6!) USER MOD Set 2.2: A 59 SER OG : rot -79:sc= 0.846 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.48) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= 0 USER MOD Single : A 41 SER OG : rot 60:sc= 0.316 USER MOD Single : A 46 HIS : no HE2:sc= 0.232 K(o=0.23,f=-3.2!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -145:sc= -0.947 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -4.96! C(o=-5!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -7.285 7.768 13.593 1.00 0.00 N ATOM 132 CA ASP A 9 -6.431 7.989 12.417 1.00 0.00 C ATOM 133 C ASP A 9 -4.946 8.118 12.825 1.00 0.00 C ATOM 134 O ASP A 9 -4.056 7.702 12.082 1.00 0.00 O ATOM 135 CB ASP A 9 -6.904 9.237 11.644 1.00 0.00 C ATOM 136 CG ASP A 9 -8.377 9.595 11.878 1.00 0.00 C ATOM 137 OD1 ASP A 9 -9.223 9.079 11.115 1.00 0.00 O ATOM 138 OD2 ASP A 9 -8.638 10.383 12.816 1.00 0.00 O ATOM 0 HA ASP A 9 -6.517 7.123 11.761 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.284 10.086 11.932 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.745 9.073 10.578 1.00 0.00 H new ATOM 143 N ASP A 10 -4.691 8.681 14.022 1.00 0.00 N ATOM 144 CA ASP A 10 -3.411 8.611 14.742 1.00 0.00 C ATOM 145 C ASP A 10 -2.743 7.233 14.559 1.00 0.00 C ATOM 146 O ASP A 10 -1.705 7.113 13.901 1.00 0.00 O ATOM 147 CB ASP A 10 -3.652 8.936 16.234 1.00 0.00 C ATOM 148 CG ASP A 10 -4.366 10.273 16.459 1.00 0.00 C ATOM 149 OD1 ASP A 10 -3.685 11.315 16.335 1.00 0.00 O ATOM 150 OD2 ASP A 10 -5.580 10.234 16.760 1.00 0.00 O ATOM 0 H ASP A 10 -5.397 9.215 14.529 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.723 9.348 14.328 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.244 8.137 16.681 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.694 8.952 16.754 1.00 0.00 H new ATOM 155 N GLN A 11 -3.330 6.180 15.166 1.00 0.00 N ATOM 156 CA GLN A 11 -2.699 4.862 15.335 1.00 0.00 C ATOM 157 C GLN A 11 -2.802 4.038 14.035 1.00 0.00 C ATOM 158 O GLN A 11 -1.952 3.187 13.770 1.00 0.00 O ATOM 159 CB GLN A 11 -3.353 4.108 16.517 1.00 0.00 C ATOM 160 CG GLN A 11 -4.092 5.007 17.523 1.00 0.00 C ATOM 161 CD GLN A 11 -3.256 5.430 18.741 1.00 0.00 C ATOM 162 OE1 GLN A 11 -2.126 5.887 18.578 1.00 0.00 O ATOM 163 NE2 GLN A 11 -3.786 5.287 19.960 1.00 0.00 N ATOM 0 H GLN A 11 -4.271 6.227 15.557 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.642 5.007 15.558 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.056 3.377 16.119 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.580 3.551 17.047 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.434 5.903 17.005 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.981 4.482 17.874 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.726 4.905 20.066 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.251 5.560 20.784 1.00 0.00 H new ATOM 172 N ARG A 12 -3.830 4.312 13.209 1.00 0.00 N ATOM 173 CA ARG A 12 -3.893 3.947 11.785 1.00 0.00 C ATOM 174 C ARG A 12 -2.517 4.149 11.114 1.00 0.00 C ATOM 175 O ARG A 12 -1.869 3.226 10.621 1.00 0.00 O ATOM 176 CB ARG A 12 -4.982 4.795 11.095 1.00 0.00 C ATOM 177 CG ARG A 12 -6.334 4.065 11.035 1.00 0.00 C ATOM 178 CD ARG A 12 -7.346 4.787 10.138 1.00 0.00 C ATOM 179 NE ARG A 12 -8.618 4.998 10.849 1.00 0.00 N ATOM 180 CZ ARG A 12 -9.496 5.993 10.625 1.00 0.00 C ATOM 181 NH1 ARG A 12 -9.338 6.850 9.604 1.00 0.00 N ATOM 182 NH2 ARG A 12 -10.553 6.131 11.438 1.00 0.00 N ATOM 0 H ARG A 12 -4.663 4.808 13.526 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.152 2.893 11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.102 5.736 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.660 5.044 10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.181 3.052 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.742 3.977 12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.938 5.747 9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.521 4.201 9.236 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.856 4.327 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.539 6.755 8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.017 7.596 9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.685 5.486 12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.225 6.881 11.278 1.00 0.00 H new ATOM 196 N TRP A 13 -2.045 5.425 11.148 1.00 0.00 N ATOM 197 CA TRP A 13 -0.724 5.814 10.646 1.00 0.00 C ATOM 198 C TRP A 13 0.414 5.362 11.585 1.00 0.00 C ATOM 199 O TRP A 13 1.573 5.321 11.141 1.00 0.00 O ATOM 200 CB TRP A 13 -0.650 7.341 10.405 1.00 0.00 C ATOM 201 CG TRP A 13 0.475 7.744 9.488 1.00 0.00 C ATOM 202 CD1 TRP A 13 1.509 8.563 9.788 1.00 0.00 C ATOM 203 CD2 TRP A 13 0.728 7.268 8.127 1.00 0.00 C ATOM 204 NE1 TRP A 13 2.393 8.616 8.731 1.00 0.00 N ATOM 205 CE2 TRP A 13 1.968 7.829 7.680 1.00 0.00 C ATOM 206 CE3 TRP A 13 0.038 6.424 7.222 1.00 0.00 C ATOM 207 CZ2 TRP A 13 2.514 7.526 6.420 1.00 0.00 C ATOM 208 CZ3 TRP A 13 0.527 6.202 5.913 1.00 0.00 C ATOM 209 CH2 TRP A 13 1.771 6.734 5.519 1.00 0.00 C ATOM 0 H TRP A 13 -2.581 6.205 11.528 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.585 5.301 9.694 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.595 7.681 9.981 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.529 7.848 11.362 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.625 9.097 10.719 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.252 9.167 8.727 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.876 5.942 7.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.491 7.895 6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.056 5.622 5.213 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.155 6.536 4.529 1.00 0.00 H new ATOM 220 N GLN A 14 0.122 5.005 12.854 1.00 0.00 N ATOM 221 CA GLN A 14 1.119 4.430 13.782 1.00 0.00 C ATOM 222 C GLN A 14 1.507 3.004 13.335 1.00 0.00 C ATOM 223 O GLN A 14 2.680 2.732 13.078 1.00 0.00 O ATOM 224 CB GLN A 14 0.575 4.446 15.226 1.00 0.00 C ATOM 225 CG GLN A 14 0.542 3.053 15.887 1.00 0.00 C ATOM 226 CD GLN A 14 1.519 2.863 17.058 1.00 0.00 C ATOM 227 OE1 GLN A 14 2.724 2.766 16.837 1.00 0.00 O ATOM 228 NE2 GLN A 14 1.030 2.805 18.302 1.00 0.00 N ATOM 0 H GLN A 14 -0.807 5.107 13.262 1.00 0.00 H new ATOM 0 HA GLN A 14 2.022 5.040 13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.191 5.112 15.830 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.433 4.861 15.221 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.470 2.861 16.244 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.760 2.302 15.127 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.026 2.888 18.460 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.662 2.678 19.093 1.00 0.00 H new ATOM 237 N SER A 15 0.510 2.107 13.214 1.00 0.00 N ATOM 238 CA SER A 15 0.620 0.809 12.525 1.00 0.00 C ATOM 239 C SER A 15 1.418 0.926 11.201 1.00 0.00 C ATOM 240 O SER A 15 2.310 0.125 10.926 1.00 0.00 O ATOM 241 CB SER A 15 -0.779 0.210 12.286 1.00 0.00 C ATOM 242 OG SER A 15 -0.738 -1.200 12.188 1.00 0.00 O ATOM 0 H SER A 15 -0.418 2.270 13.603 1.00 0.00 H new ATOM 0 HA SER A 15 1.179 0.132 13.171 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.442 0.498 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.201 0.626 11.371 1.00 0.00 H new ATOM 0 HG SER A 15 -1.643 -1.544 12.038 1.00 0.00 H new ATOM 248 N VAL A 16 1.078 1.965 10.402 1.00 0.00 N ATOM 249 CA VAL A 16 1.602 2.192 9.049 1.00 0.00 C ATOM 250 C VAL A 16 2.971 2.909 9.090 1.00 0.00 C ATOM 251 O VAL A 16 3.772 2.744 8.157 1.00 0.00 O ATOM 252 CB VAL A 16 0.577 3.000 8.209 1.00 0.00 C ATOM 253 CG1 VAL A 16 1.213 3.594 6.938 1.00 0.00 C ATOM 254 CG2 VAL A 16 -0.630 2.148 7.774 1.00 0.00 C ATOM 0 H VAL A 16 0.415 2.682 10.695 1.00 0.00 H new ATOM 0 HA VAL A 16 1.756 1.223 8.574 1.00 0.00 H new ATOM 0 HB VAL A 16 0.240 3.800 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.460 4.151 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.027 4.263 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.603 2.789 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.316 2.761 7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.285 1.311 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.145 1.768 8.657 1.00 0.00 H new ATOM 264 N LEU A 17 3.256 3.712 10.133 1.00 0.00 N ATOM 265 CA LEU A 17 4.546 4.388 10.348 1.00 0.00 C ATOM 266 C LEU A 17 5.607 3.386 10.861 1.00 0.00 C ATOM 267 O LEU A 17 6.778 3.456 10.489 1.00 0.00 O ATOM 268 CB LEU A 17 4.395 5.537 11.368 1.00 0.00 C ATOM 269 CG LEU A 17 4.039 6.911 10.762 1.00 0.00 C ATOM 270 CD1 LEU A 17 3.890 7.941 11.891 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.107 7.404 9.771 1.00 0.00 C ATOM 0 H LEU A 17 2.577 3.912 10.867 1.00 0.00 H new ATOM 0 HA LEU A 17 4.872 4.798 9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.623 5.264 12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.328 5.633 11.923 1.00 0.00 H new ATOM 0 HG LEU A 17 3.103 6.797 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.639 8.913 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.097 7.625 12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.828 8.017 12.440 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.812 8.374 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.064 7.499 10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.203 6.689 8.954 1.00 0.00 H new ATOM 283 N ALA A 18 5.160 2.439 11.713 1.00 0.00 N ATOM 284 CA ALA A 18 5.906 1.266 12.185 1.00 0.00 C ATOM 285 C ALA A 18 6.185 0.285 11.024 1.00 0.00 C ATOM 286 O ALA A 18 6.854 -0.731 11.222 1.00 0.00 O ATOM 287 CB ALA A 18 5.125 0.561 13.306 1.00 0.00 C ATOM 0 H ALA A 18 4.220 2.479 12.107 1.00 0.00 H new ATOM 0 HA ALA A 18 6.864 1.604 12.579 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.686 -0.308 13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.979 1.251 14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.155 0.240 12.927 1.00 0.00 H new ATOM 293 N ARG A 19 5.641 0.587 9.828 1.00 0.00 N ATOM 294 CA ARG A 19 5.843 -0.169 8.582 1.00 0.00 C ATOM 295 C ARG A 19 5.560 -1.674 8.816 1.00 0.00 C ATOM 296 O ARG A 19 6.087 -2.537 8.116 1.00 0.00 O ATOM 297 CB ARG A 19 7.252 0.087 8.008 1.00 0.00 C ATOM 298 CG ARG A 19 8.394 -0.192 8.998 1.00 0.00 C ATOM 299 CD ARG A 19 9.757 -0.108 8.295 1.00 0.00 C ATOM 300 NE ARG A 19 10.572 0.996 8.826 1.00 0.00 N ATOM 301 CZ ARG A 19 11.918 1.042 8.835 1.00 0.00 C ATOM 302 NH1 ARG A 19 12.657 0.035 8.343 1.00 0.00 N ATOM 303 NH2 ARG A 19 12.535 2.117 9.347 1.00 0.00 N ATOM 0 H ARG A 19 5.028 1.393 9.702 1.00 0.00 H new ATOM 0 HA ARG A 19 5.133 0.180 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.391 -0.536 7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 19 7.316 1.124 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.356 0.528 9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.267 -1.181 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.291 -1.050 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.607 0.032 7.224 1.00 0.00 H new ATOM 0 HE ARG A 19 10.075 1.795 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.200 -0.789 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.675 0.093 8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.985 2.889 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.554 2.163 9.359 1.00 0.00 H new ATOM 317 N ASP A 20 4.693 -1.958 9.813 1.00 0.00 N ATOM 318 CA ASP A 20 4.356 -3.291 10.328 1.00 0.00 C ATOM 319 C ASP A 20 3.804 -4.193 9.197 1.00 0.00 C ATOM 320 O ASP A 20 2.628 -4.061 8.850 1.00 0.00 O ATOM 321 CB ASP A 20 3.337 -3.145 11.481 1.00 0.00 C ATOM 322 CG ASP A 20 2.837 -4.487 12.026 1.00 0.00 C ATOM 323 OD1 ASP A 20 3.671 -5.219 12.602 1.00 0.00 O ATOM 324 OD2 ASP A 20 1.628 -4.763 11.857 1.00 0.00 O ATOM 0 H ASP A 20 4.186 -1.220 10.302 1.00 0.00 H new ATOM 0 HA ASP A 20 5.256 -3.772 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.796 -2.580 12.292 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.484 -2.563 11.131 1.00 0.00 H new ATOM 329 N PRO A 21 4.621 -5.079 8.578 1.00 0.00 N ATOM 330 CA PRO A 21 4.206 -5.929 7.447 1.00 0.00 C ATOM 331 C PRO A 21 3.043 -6.880 7.814 1.00 0.00 C ATOM 332 O PRO A 21 2.412 -7.459 6.928 1.00 0.00 O ATOM 333 CB PRO A 21 5.453 -6.715 7.015 1.00 0.00 C ATOM 334 CG PRO A 21 6.621 -5.970 7.654 1.00 0.00 C ATOM 335 CD PRO A 21 5.998 -5.403 8.930 1.00 0.00 C ATOM 0 HA PRO A 21 3.823 -5.311 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.408 -7.749 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.547 -6.743 5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.456 -6.636 7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.003 -5.182 7.005 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.035 -6.129 9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.535 -4.518 9.270 1.00 0.00 H new ATOM 343 N ASN A 22 2.780 -7.047 9.124 1.00 0.00 N ATOM 344 CA ASN A 22 1.813 -7.983 9.718 1.00 0.00 C ATOM 345 C ASN A 22 0.368 -7.447 9.626 1.00 0.00 C ATOM 346 O ASN A 22 -0.579 -8.164 9.969 1.00 0.00 O ATOM 347 CB ASN A 22 2.188 -8.235 11.196 1.00 0.00 C ATOM 348 CG ASN A 22 1.146 -9.055 11.965 1.00 0.00 C ATOM 349 OD1 ASN A 22 0.904 -10.218 11.649 1.00 0.00 O ATOM 350 ND2 ASN A 22 0.529 -8.452 12.985 1.00 0.00 N ATOM 0 H ASN A 22 3.266 -6.500 9.835 1.00 0.00 H new ATOM 0 HA ASN A 22 1.854 -8.917 9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.146 -8.753 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.324 -7.276 11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.169 -8.958 13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.756 -7.485 13.218 1.00 0.00 H new ATOM 357 N ALA A 23 0.183 -6.201 9.147 1.00 0.00 N ATOM 358 CA ALA A 23 -1.121 -5.555 8.932 1.00 0.00 C ATOM 359 C ALA A 23 -1.467 -5.491 7.429 1.00 0.00 C ATOM 360 O ALA A 23 -2.267 -4.653 7.009 1.00 0.00 O ATOM 361 CB ALA A 23 -1.113 -4.146 9.547 1.00 0.00 C ATOM 0 H ALA A 23 0.966 -5.599 8.891 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.889 -6.152 9.424 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.081 -3.673 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.919 -4.217 10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.333 -3.548 9.076 1.00 0.00 H new ATOM 367 N ASP A 24 -0.852 -6.377 6.620 1.00 0.00 N ATOM 368 CA ASP A 24 -1.140 -6.569 5.190 1.00 0.00 C ATOM 369 C ASP A 24 -2.532 -7.201 4.957 1.00 0.00 C ATOM 370 O ASP A 24 -2.958 -7.343 3.807 1.00 0.00 O ATOM 371 CB ASP A 24 -0.020 -7.431 4.564 1.00 0.00 C ATOM 372 CG ASP A 24 -0.124 -8.917 4.926 1.00 0.00 C ATOM 373 OD1 ASP A 24 0.067 -9.233 6.122 1.00 0.00 O ATOM 374 OD2 ASP A 24 -0.400 -9.714 4.003 1.00 0.00 O ATOM 0 H ASP A 24 -0.117 -6.998 6.959 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.164 -5.594 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.053 -7.325 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.948 -7.051 4.892 1.00 0.00 H new ATOM 379 N GLY A 25 -3.249 -7.562 6.038 1.00 0.00 N ATOM 380 CA GLY A 25 -4.586 -8.171 6.013 1.00 0.00 C ATOM 381 C GLY A 25 -5.642 -7.258 6.670 1.00 0.00 C ATOM 382 O GLY A 25 -6.812 -7.282 6.284 1.00 0.00 O ATOM 0 H GLY A 25 -2.897 -7.431 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.873 -8.376 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.559 -9.129 6.533 1.00 0.00 H new ATOM 386 N GLU A 26 -5.222 -6.458 7.669 1.00 0.00 N ATOM 387 CA GLU A 26 -6.083 -5.670 8.566 1.00 0.00 C ATOM 388 C GLU A 26 -6.731 -4.490 7.812 1.00 0.00 C ATOM 389 O GLU A 26 -7.839 -4.070 8.154 1.00 0.00 O ATOM 390 CB GLU A 26 -5.260 -5.180 9.778 1.00 0.00 C ATOM 391 CG GLU A 26 -6.147 -4.651 10.922 1.00 0.00 C ATOM 392 CD GLU A 26 -7.378 -5.516 11.220 1.00 0.00 C ATOM 393 OE1 GLU A 26 -7.223 -6.564 11.886 1.00 0.00 O ATOM 394 OE2 GLU A 26 -8.471 -5.104 10.771 1.00 0.00 O ATOM 0 H GLU A 26 -4.231 -6.340 7.880 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.892 -6.304 8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.644 -5.999 10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.580 -4.391 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.544 -4.574 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.478 -3.643 10.673 1.00 0.00 H new ATOM 401 N PHE A 27 -6.045 -3.950 6.782 1.00 0.00 N ATOM 402 CA PHE A 27 -6.502 -2.816 5.965 1.00 0.00 C ATOM 403 C PHE A 27 -5.598 -2.592 4.730 1.00 0.00 C ATOM 404 O PHE A 27 -4.624 -3.313 4.515 1.00 0.00 O ATOM 405 CB PHE A 27 -6.535 -1.529 6.817 1.00 0.00 C ATOM 406 CG PHE A 27 -5.280 -1.241 7.631 1.00 0.00 C ATOM 407 CD1 PHE A 27 -4.821 -2.172 8.593 1.00 0.00 C ATOM 408 CD2 PHE A 27 -4.573 -0.031 7.441 1.00 0.00 C ATOM 409 CE1 PHE A 27 -3.644 -1.915 9.326 1.00 0.00 C ATOM 410 CE2 PHE A 27 -3.426 0.250 8.216 1.00 0.00 C ATOM 411 CZ PHE A 27 -2.949 -0.700 9.143 1.00 0.00 C ATOM 0 H PHE A 27 -5.134 -4.304 6.492 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.505 -3.054 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.718 -0.682 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.382 -1.589 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.374 -3.083 8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.911 0.680 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.274 -2.648 10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.914 1.193 8.099 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.053 -0.498 9.712 1.00 0.00 H new ATOM 421 N VAL A 28 -5.923 -1.552 3.934 1.00 0.00 N ATOM 422 CA VAL A 28 -5.043 -0.883 2.964 1.00 0.00 C ATOM 423 C VAL A 28 -4.971 0.624 3.295 1.00 0.00 C ATOM 424 O VAL A 28 -5.699 1.100 4.170 1.00 0.00 O ATOM 425 CB VAL A 28 -5.522 -1.114 1.505 1.00 0.00 C ATOM 426 CG1 VAL A 28 -6.004 -2.565 1.289 1.00 0.00 C ATOM 427 CG2 VAL A 28 -6.652 -0.153 1.085 1.00 0.00 C ATOM 0 H VAL A 28 -6.855 -1.138 3.955 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.045 -1.315 3.040 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.650 -0.916 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.332 -2.690 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.186 -3.255 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.835 -2.776 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.944 -0.363 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.511 -0.292 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.301 0.876 1.160 1.00 0.00 H new ATOM 437 N PHE A 29 -4.091 1.383 2.604 1.00 0.00 N ATOM 438 CA PHE A 29 -4.057 2.855 2.637 1.00 0.00 C ATOM 439 C PHE A 29 -3.852 3.447 1.222 1.00 0.00 C ATOM 440 O PHE A 29 -3.343 2.775 0.325 1.00 0.00 O ATOM 441 CB PHE A 29 -2.949 3.356 3.589 1.00 0.00 C ATOM 442 CG PHE A 29 -1.514 3.203 3.105 1.00 0.00 C ATOM 443 CD1 PHE A 29 -1.088 3.832 1.913 1.00 0.00 C ATOM 444 CD2 PHE A 29 -0.584 2.458 3.869 1.00 0.00 C ATOM 445 CE1 PHE A 29 0.270 3.791 1.535 1.00 0.00 C ATOM 446 CE2 PHE A 29 0.772 2.409 3.485 1.00 0.00 C ATOM 447 CZ PHE A 29 1.199 3.068 2.312 1.00 0.00 C ATOM 0 H PHE A 29 -3.375 0.980 2.000 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.022 3.196 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.128 4.411 3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.048 2.825 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.805 4.346 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.914 1.925 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.599 4.314 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.484 1.867 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.235 3.019 2.010 1.00 0.00 H new ATOM 457 N ALA A 30 -4.279 4.714 1.034 1.00 0.00 N ATOM 458 CA ALA A 30 -4.503 5.376 -0.258 1.00 0.00 C ATOM 459 C ALA A 30 -3.960 6.821 -0.249 1.00 0.00 C ATOM 460 O ALA A 30 -4.475 7.667 0.491 1.00 0.00 O ATOM 461 CB ALA A 30 -6.005 5.373 -0.595 1.00 0.00 C ATOM 0 H ALA A 30 -4.485 5.329 1.821 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.961 4.821 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.164 5.866 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.363 4.345 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.553 5.906 0.182 1.00 0.00 H new ATOM 467 N VAL A 31 -2.945 7.121 -1.082 1.00 0.00 N ATOM 468 CA VAL A 31 -2.356 8.459 -1.247 1.00 0.00 C ATOM 469 C VAL A 31 -3.083 9.220 -2.377 1.00 0.00 C ATOM 470 O VAL A 31 -2.784 9.015 -3.554 1.00 0.00 O ATOM 471 CB VAL A 31 -0.835 8.346 -1.530 1.00 0.00 C ATOM 472 CG1 VAL A 31 -0.246 9.670 -2.055 1.00 0.00 C ATOM 473 CG2 VAL A 31 -0.032 7.938 -0.282 1.00 0.00 C ATOM 0 H VAL A 31 -2.502 6.418 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.482 9.023 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.746 7.570 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.821 9.546 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.745 9.947 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.397 10.455 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.026 7.873 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.173 8.683 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.380 6.968 0.073 1.00 0.00 H new ATOM 483 N ARG A 32 -4.049 10.085 -2.013 1.00 0.00 N ATOM 484 CA ARG A 32 -4.908 10.845 -2.932 1.00 0.00 C ATOM 485 C ARG A 32 -4.073 11.575 -4.006 1.00 0.00 C ATOM 486 O ARG A 32 -4.576 11.863 -5.094 1.00 0.00 O ATOM 487 CB ARG A 32 -5.767 11.837 -2.120 1.00 0.00 C ATOM 488 CG ARG A 32 -7.226 11.376 -1.976 1.00 0.00 C ATOM 489 CD ARG A 32 -7.900 11.995 -0.743 1.00 0.00 C ATOM 490 NE ARG A 32 -7.072 11.805 0.458 1.00 0.00 N ATOM 491 CZ ARG A 32 -7.380 12.216 1.703 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.525 12.866 1.962 1.00 0.00 N ATOM 493 NH2 ARG A 32 -6.525 11.970 2.706 1.00 0.00 N ATOM 0 H ARG A 32 -4.258 10.279 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.565 10.153 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.330 11.963 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.744 12.813 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.784 11.650 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.258 10.289 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.067 13.059 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.878 11.539 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.184 11.318 0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.184 13.059 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.736 13.167 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.652 11.476 2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.748 12.277 3.653 1.00 0.00 H new ATOM 507 N THR A 33 -2.802 11.888 -3.689 1.00 0.00 N ATOM 508 CA THR A 33 -1.949 12.844 -4.411 1.00 0.00 C ATOM 509 C THR A 33 -1.225 12.156 -5.588 1.00 0.00 C ATOM 510 O THR A 33 -0.896 12.813 -6.580 1.00 0.00 O ATOM 511 CB THR A 33 -0.941 13.492 -3.431 1.00 0.00 C ATOM 512 OG1 THR A 33 -0.712 14.845 -3.782 1.00 0.00 O ATOM 513 CG2 THR A 33 0.420 12.774 -3.404 1.00 0.00 C ATOM 0 H THR A 33 -2.326 11.465 -2.893 1.00 0.00 H new ATOM 0 HA THR A 33 -2.576 13.630 -4.831 1.00 0.00 H new ATOM 0 HB THR A 33 -1.393 13.412 -2.442 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.074 15.243 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.082 13.276 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.279 11.738 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.864 12.799 -4.399 1.00 0.00 H new ATOM 521 N THR A 34 -0.992 10.833 -5.492 1.00 0.00 N ATOM 522 CA THR A 34 -0.387 9.991 -6.534 1.00 0.00 C ATOM 523 C THR A 34 -1.471 9.203 -7.303 1.00 0.00 C ATOM 524 O THR A 34 -1.250 8.798 -8.445 1.00 0.00 O ATOM 525 CB THR A 34 0.657 9.037 -5.904 1.00 0.00 C ATOM 526 OG1 THR A 34 1.344 8.323 -6.917 1.00 0.00 O ATOM 527 CG2 THR A 34 0.034 8.012 -4.942 1.00 0.00 C ATOM 0 H THR A 34 -1.230 10.304 -4.653 1.00 0.00 H new ATOM 0 HA THR A 34 0.123 10.634 -7.252 1.00 0.00 H new ATOM 0 HB THR A 34 1.338 9.671 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.189 7.980 -6.559 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.817 7.373 -4.534 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.468 8.535 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.689 7.400 -5.481 1.00 0.00 H new ATOM 535 N GLY A 35 -2.634 8.975 -6.664 1.00 0.00 N ATOM 536 CA GLY A 35 -3.673 8.026 -7.094 1.00 0.00 C ATOM 537 C GLY A 35 -3.148 6.576 -7.106 1.00 0.00 C ATOM 538 O GLY A 35 -3.314 5.858 -8.093 1.00 0.00 O ATOM 0 H GLY A 35 -2.883 9.465 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.531 8.097 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.022 8.295 -8.091 1.00 0.00 H new ATOM 542 N ILE A 36 -2.493 6.157 -6.000 1.00 0.00 N ATOM 543 CA ILE A 36 -2.111 4.772 -5.694 1.00 0.00 C ATOM 544 C ILE A 36 -2.731 4.333 -4.347 1.00 0.00 C ATOM 545 O ILE A 36 -3.142 5.172 -3.545 1.00 0.00 O ATOM 546 CB ILE A 36 -0.563 4.628 -5.661 1.00 0.00 C ATOM 547 CG1 ILE A 36 0.118 5.157 -6.947 1.00 0.00 C ATOM 548 CG2 ILE A 36 -0.158 3.157 -5.429 1.00 0.00 C ATOM 549 CD1 ILE A 36 1.651 5.190 -6.865 1.00 0.00 C ATOM 0 H ILE A 36 -2.207 6.808 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.495 4.121 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.216 5.242 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.179 4.531 -7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.248 6.163 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.929 3.078 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.564 2.813 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.552 2.539 -6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.057 5.571 -7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.958 5.840 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.028 4.182 -6.690 1.00 0.00 H new ATOM 561 N PHE A 37 -2.766 3.006 -4.103 1.00 0.00 N ATOM 562 CA PHE A 37 -2.986 2.378 -2.794 1.00 0.00 C ATOM 563 C PHE A 37 -1.971 1.238 -2.545 1.00 0.00 C ATOM 564 O PHE A 37 -1.391 0.695 -3.486 1.00 0.00 O ATOM 565 CB PHE A 37 -4.430 1.842 -2.696 1.00 0.00 C ATOM 566 CG PHE A 37 -4.798 0.732 -3.672 1.00 0.00 C ATOM 567 CD1 PHE A 37 -5.160 1.033 -5.006 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.803 -0.614 -3.239 1.00 0.00 C ATOM 569 CE1 PHE A 37 -5.491 -0.002 -5.906 1.00 0.00 C ATOM 570 CE2 PHE A 37 -5.077 -1.652 -4.155 1.00 0.00 C ATOM 571 CZ PHE A 37 -5.442 -1.347 -5.483 1.00 0.00 C ATOM 0 H PHE A 37 -2.636 2.320 -4.846 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.837 3.136 -2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.592 1.476 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.117 2.675 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.183 2.061 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.597 -0.848 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.782 0.235 -6.919 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.007 -2.682 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.683 -2.141 -6.174 1.00 0.00 H new ATOM 581 N CYS A 38 -1.746 0.894 -1.262 1.00 0.00 N ATOM 582 CA CYS A 38 -0.694 0.012 -0.741 1.00 0.00 C ATOM 583 C CYS A 38 -1.251 -0.919 0.362 1.00 0.00 C ATOM 584 O CYS A 38 -2.390 -0.760 0.803 1.00 0.00 O ATOM 585 CB CYS A 38 0.471 0.865 -0.186 1.00 0.00 C ATOM 586 SG CYS A 38 1.351 1.799 -1.472 1.00 0.00 S ATOM 0 H CYS A 38 -2.339 1.253 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.327 -0.613 -1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.081 1.561 0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.177 0.213 0.328 1.00 0.00 H new ATOM 0 HG CYS A 38 2.591 1.962 -1.118 1.00 0.00 H new ATOM 591 N ARG A 39 -0.409 -1.858 0.833 1.00 0.00 N ATOM 592 CA ARG A 39 -0.499 -2.539 2.131 1.00 0.00 C ATOM 593 C ARG A 39 0.348 -1.754 3.173 1.00 0.00 C ATOM 594 O ARG A 39 1.438 -1.300 2.801 1.00 0.00 O ATOM 595 CB ARG A 39 0.016 -3.989 1.977 1.00 0.00 C ATOM 596 CG ARG A 39 -1.014 -5.046 2.394 1.00 0.00 C ATOM 597 CD ARG A 39 -0.998 -6.312 1.535 1.00 0.00 C ATOM 598 NE ARG A 39 0.387 -6.670 1.191 1.00 0.00 N ATOM 599 CZ ARG A 39 0.776 -7.706 0.428 1.00 0.00 C ATOM 600 NH1 ARG A 39 -0.118 -8.552 -0.109 1.00 0.00 N ATOM 601 NH2 ARG A 39 2.085 -7.893 0.203 1.00 0.00 N ATOM 0 H ARG A 39 0.392 -2.176 0.288 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.532 -2.573 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.300 -4.158 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.917 -4.113 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.833 -5.323 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.009 -4.604 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.471 -7.133 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.577 -6.152 0.626 1.00 0.00 H new ATOM 0 HE ARG A 39 1.124 -6.074 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.115 -8.415 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.200 -9.332 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.769 -7.254 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.397 -8.674 -0.374 1.00 0.00 H new ATOM 615 N PRO A 40 -0.128 -1.524 4.419 1.00 0.00 N ATOM 616 CA PRO A 40 0.425 -0.528 5.355 1.00 0.00 C ATOM 617 C PRO A 40 1.964 -0.508 5.488 1.00 0.00 C ATOM 618 O PRO A 40 2.540 0.499 5.906 1.00 0.00 O ATOM 619 CB PRO A 40 -0.256 -0.823 6.709 1.00 0.00 C ATOM 620 CG PRO A 40 -1.610 -1.409 6.308 1.00 0.00 C ATOM 621 CD PRO A 40 -1.291 -2.164 5.024 1.00 0.00 C ATOM 0 HA PRO A 40 0.214 0.470 4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.325 -1.526 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.371 0.082 7.306 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.007 -2.071 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.354 -0.630 6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.085 -3.213 5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.141 -2.138 4.342 1.00 0.00 H new ATOM 629 N SER A 41 2.629 -1.617 5.116 1.00 0.00 N ATOM 630 CA SER A 41 4.063 -1.897 5.273 1.00 0.00 C ATOM 631 C SER A 41 4.943 -1.144 4.254 1.00 0.00 C ATOM 632 O SER A 41 6.125 -1.488 4.095 1.00 0.00 O ATOM 633 CB SER A 41 4.287 -3.425 5.174 1.00 0.00 C ATOM 634 OG SER A 41 4.836 -3.812 3.931 1.00 0.00 O ATOM 0 H SER A 41 2.142 -2.393 4.667 1.00 0.00 H new ATOM 0 HA SER A 41 4.370 -1.533 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.952 -3.744 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.337 -3.939 5.324 1.00 0.00 H new ATOM 0 HG SER A 41 5.699 -3.366 3.802 1.00 0.00 H new ATOM 640 N CYS A 42 4.403 -0.139 3.527 1.00 0.00 N ATOM 641 CA CYS A 42 4.997 0.380 2.279 1.00 0.00 C ATOM 642 C CYS A 42 6.461 0.818 2.516 1.00 0.00 C ATOM 643 O CYS A 42 6.709 1.882 3.084 1.00 0.00 O ATOM 644 CB CYS A 42 4.135 1.527 1.712 1.00 0.00 C ATOM 645 SG CYS A 42 4.553 1.930 -0.020 1.00 0.00 S ATOM 0 H CYS A 42 3.540 0.335 3.793 1.00 0.00 H new ATOM 0 HA CYS A 42 5.014 -0.416 1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.083 1.250 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.267 2.415 2.330 1.00 0.00 H new ATOM 0 HG CYS A 42 4.327 0.895 -0.773 1.00 0.00 H new ATOM 650 N ARG A 43 7.424 -0.027 2.096 1.00 0.00 N ATOM 651 CA ARG A 43 8.836 -0.002 2.505 1.00 0.00 C ATOM 652 C ARG A 43 9.476 1.374 2.221 1.00 0.00 C ATOM 653 O ARG A 43 10.177 1.920 3.077 1.00 0.00 O ATOM 654 CB ARG A 43 9.596 -1.139 1.788 1.00 0.00 C ATOM 655 CG ARG A 43 10.400 -0.644 0.574 1.00 0.00 C ATOM 656 CD ARG A 43 11.567 -1.583 0.236 1.00 0.00 C ATOM 657 NE ARG A 43 11.134 -2.659 -0.670 1.00 0.00 N ATOM 658 CZ ARG A 43 11.310 -2.691 -2.004 1.00 0.00 C ATOM 659 NH1 ARG A 43 11.923 -1.689 -2.653 1.00 0.00 N ATOM 660 NH2 ARG A 43 10.863 -3.746 -2.701 1.00 0.00 N ATOM 0 H ARG A 43 7.226 -0.777 1.434 1.00 0.00 H new ATOM 0 HA ARG A 43 8.898 -0.162 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.272 -1.620 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.884 -1.897 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.739 -0.561 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.786 0.355 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.373 -1.015 -0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.968 -2.015 1.153 1.00 0.00 H new ATOM 0 HE ARG A 43 10.656 -3.455 -0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.267 -0.881 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.045 -1.736 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.395 -4.514 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.991 -3.780 -3.712 1.00 0.00 H new ATOM 674 N ALA A 44 9.250 1.924 1.013 1.00 0.00 N ATOM 675 CA ALA A 44 9.656 3.276 0.602 1.00 0.00 C ATOM 676 C ALA A 44 9.130 4.342 1.588 1.00 0.00 C ATOM 677 O ALA A 44 8.070 4.161 2.190 1.00 0.00 O ATOM 678 CB ALA A 44 9.151 3.559 -0.821 1.00 0.00 C ATOM 0 H ALA A 44 8.763 1.419 0.273 1.00 0.00 H new ATOM 0 HA ALA A 44 10.745 3.328 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.454 4.562 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.577 2.829 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.064 3.487 -0.842 1.00 0.00 H new ATOM 684 N ARG A 45 9.883 5.445 1.763 1.00 0.00 N ATOM 685 CA ARG A 45 9.480 6.643 2.513 1.00 0.00 C ATOM 686 C ARG A 45 8.097 7.147 2.047 1.00 0.00 C ATOM 687 O ARG A 45 8.008 7.994 1.158 1.00 0.00 O ATOM 688 CB ARG A 45 10.562 7.733 2.362 1.00 0.00 C ATOM 689 CG ARG A 45 11.842 7.410 3.151 1.00 0.00 C ATOM 690 CD ARG A 45 11.750 7.878 4.610 1.00 0.00 C ATOM 691 NE ARG A 45 12.429 9.171 4.791 1.00 0.00 N ATOM 692 CZ ARG A 45 12.210 10.045 5.790 1.00 0.00 C ATOM 693 NH1 ARG A 45 11.322 9.788 6.763 1.00 0.00 N ATOM 694 NH2 ARG A 45 12.893 11.199 5.816 1.00 0.00 N ATOM 0 H ARG A 45 10.821 5.526 1.371 1.00 0.00 H new ATOM 0 HA ARG A 45 9.388 6.390 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.810 7.850 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.161 8.687 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.022 6.335 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.695 7.888 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.704 7.968 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.200 7.132 5.265 1.00 0.00 H new ATOM 0 HE ARG A 45 13.130 9.428 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.796 8.914 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.173 10.466 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.571 11.407 5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.735 11.869 6.569 1.00 0.00 H new ATOM 708 N HIS A 46 7.015 6.605 2.646 1.00 0.00 N ATOM 709 CA HIS A 46 5.633 6.711 2.156 1.00 0.00 C ATOM 710 C HIS A 46 5.031 8.099 2.471 1.00 0.00 C ATOM 711 O HIS A 46 5.294 8.664 3.533 1.00 0.00 O ATOM 712 CB HIS A 46 4.755 5.572 2.731 1.00 0.00 C ATOM 713 CG HIS A 46 5.062 5.210 4.164 1.00 0.00 C ATOM 714 ND1 HIS A 46 5.501 6.167 5.080 1.00 0.00 N ATOM 715 CD2 HIS A 46 4.998 3.992 4.791 1.00 0.00 C ATOM 716 CE1 HIS A 46 5.694 5.490 6.216 1.00 0.00 C ATOM 717 NE2 HIS A 46 5.408 4.183 6.094 1.00 0.00 N ATOM 0 H HIS A 46 7.086 6.067 3.509 1.00 0.00 H new ATOM 0 HA HIS A 46 5.653 6.603 1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.708 5.866 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.880 4.685 2.110 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.643 7.164 4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.685 3.058 4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.042 5.944 7.132 1.00 0.00 H new ATOM 725 N ALA A 47 4.237 8.648 1.531 1.00 0.00 N ATOM 726 CA ALA A 47 3.513 9.920 1.655 1.00 0.00 C ATOM 727 C ALA A 47 2.786 10.023 3.014 1.00 0.00 C ATOM 728 O ALA A 47 2.208 9.041 3.484 1.00 0.00 O ATOM 729 CB ALA A 47 2.512 10.064 0.496 1.00 0.00 C ATOM 0 H ALA A 47 4.079 8.196 0.630 1.00 0.00 H new ATOM 0 HA ALA A 47 4.237 10.733 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.977 11.009 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.049 10.046 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.800 9.239 0.526 1.00 0.00 H new ATOM 735 N LEU A 48 2.804 11.219 3.631 1.00 0.00 N ATOM 736 CA LEU A 48 2.367 11.477 5.010 1.00 0.00 C ATOM 737 C LEU A 48 0.886 11.083 5.199 1.00 0.00 C ATOM 738 O LEU A 48 0.148 10.948 4.222 1.00 0.00 O ATOM 739 CB LEU A 48 2.561 12.969 5.355 1.00 0.00 C ATOM 740 CG LEU A 48 4.024 13.422 5.556 1.00 0.00 C ATOM 741 CD1 LEU A 48 4.162 14.891 5.126 1.00 0.00 C ATOM 742 CD2 LEU A 48 4.481 13.282 7.017 1.00 0.00 C ATOM 0 H LEU A 48 3.136 12.062 3.163 1.00 0.00 H new ATOM 0 HA LEU A 48 2.974 10.870 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.120 13.568 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.003 13.189 6.265 1.00 0.00 H new ATOM 0 HG LEU A 48 4.656 12.777 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.193 15.216 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.890 14.990 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.501 15.511 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.516 13.613 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.847 13.895 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.405 12.239 7.324 1.00 0.00 H new ATOM 754 N ARG A 49 0.462 10.882 6.463 1.00 0.00 N ATOM 755 CA ARG A 49 -0.914 10.561 6.864 1.00 0.00 C ATOM 756 C ARG A 49 -1.921 11.555 6.244 1.00 0.00 C ATOM 757 O ARG A 49 -3.063 11.195 5.956 1.00 0.00 O ATOM 758 CB ARG A 49 -1.010 10.555 8.405 1.00 0.00 C ATOM 759 CG ARG A 49 -2.345 9.990 8.913 1.00 0.00 C ATOM 760 CD ARG A 49 -3.434 11.071 8.955 1.00 0.00 C ATOM 761 NE ARG A 49 -4.088 11.105 10.272 1.00 0.00 N ATOM 762 CZ ARG A 49 -3.771 11.926 11.289 1.00 0.00 C ATOM 763 NH1 ARG A 49 -2.734 12.775 11.204 1.00 0.00 N ATOM 764 NH2 ARG A 49 -4.503 11.895 12.411 1.00 0.00 N ATOM 0 H ARG A 49 1.096 10.942 7.260 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.171 9.570 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.191 9.964 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.885 11.572 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.666 9.174 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.208 9.571 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.995 12.044 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.176 10.876 8.181 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.851 10.446 10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.169 12.806 10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.512 13.389 11.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.292 11.253 12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.271 12.513 13.188 1.00 0.00 H new ATOM 778 N GLU A 50 -1.488 12.823 6.061 1.00 0.00 N ATOM 779 CA GLU A 50 -2.330 13.974 5.736 1.00 0.00 C ATOM 780 C GLU A 50 -2.903 13.880 4.312 1.00 0.00 C ATOM 781 O GLU A 50 -3.858 14.581 3.970 1.00 0.00 O ATOM 782 CB GLU A 50 -1.504 15.264 5.902 1.00 0.00 C ATOM 783 CG GLU A 50 -2.372 16.518 5.748 1.00 0.00 C ATOM 784 CD GLU A 50 -1.784 17.778 6.400 1.00 0.00 C ATOM 785 OE1 GLU A 50 -1.866 17.849 7.647 1.00 0.00 O ATOM 786 OE2 GLU A 50 -1.269 18.645 5.659 1.00 0.00 O ATOM 0 H GLU A 50 -0.502 13.072 6.141 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.178 13.986 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.030 15.268 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.705 15.282 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.526 16.711 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.353 16.322 6.182 1.00 0.00 H new ATOM 793 N ASN A 51 -2.326 12.990 3.478 1.00 0.00 N ATOM 794 CA ASN A 51 -2.796 12.623 2.135 1.00 0.00 C ATOM 795 C ASN A 51 -3.235 11.143 2.083 1.00 0.00 C ATOM 796 O ASN A 51 -3.888 10.726 1.122 1.00 0.00 O ATOM 797 CB ASN A 51 -1.677 12.879 1.105 1.00 0.00 C ATOM 798 CG ASN A 51 -1.283 14.362 0.974 1.00 0.00 C ATOM 799 OD1 ASN A 51 -2.122 15.257 1.026 1.00 0.00 O ATOM 800 ND2 ASN A 51 0.025 14.605 0.817 1.00 0.00 N ATOM 0 H ASN A 51 -1.479 12.486 3.740 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.662 13.240 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.796 12.302 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.000 12.511 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.359 15.565 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.687 13.830 0.779 1.00 0.00 H new ATOM 807 N VAL A 52 -2.864 10.345 3.103 1.00 0.00 N ATOM 808 CA VAL A 52 -3.165 8.910 3.225 1.00 0.00 C ATOM 809 C VAL A 52 -4.523 8.702 3.931 1.00 0.00 C ATOM 810 O VAL A 52 -4.823 9.382 4.914 1.00 0.00 O ATOM 811 CB VAL A 52 -2.021 8.192 3.991 1.00 0.00 C ATOM 812 CG1 VAL A 52 -2.521 7.539 5.294 1.00 0.00 C ATOM 813 CG2 VAL A 52 -1.344 7.097 3.148 1.00 0.00 C ATOM 0 H VAL A 52 -2.326 10.699 3.894 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.236 8.475 2.228 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.298 8.975 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.688 7.048 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.940 8.305 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.289 6.802 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.552 6.627 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.082 6.346 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.918 7.542 2.249 1.00 0.00 H new ATOM 823 N SER A 53 -5.347 7.766 3.419 1.00 0.00 N ATOM 824 CA SER A 53 -6.564 7.254 4.063 1.00 0.00 C ATOM 825 C SER A 53 -6.723 5.729 3.859 1.00 0.00 C ATOM 826 O SER A 53 -6.154 5.167 2.924 1.00 0.00 O ATOM 827 CB SER A 53 -7.799 8.003 3.529 1.00 0.00 C ATOM 828 OG SER A 53 -8.360 7.342 2.410 1.00 0.00 O ATOM 0 H SER A 53 -5.173 7.333 2.512 1.00 0.00 H new ATOM 0 HA SER A 53 -6.475 7.430 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.547 8.084 4.318 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.518 9.019 3.250 1.00 0.00 H new ATOM 0 HG SER A 53 -9.143 7.840 2.095 1.00 0.00 H new ATOM 834 N PHE A 54 -7.490 5.080 4.760 1.00 0.00 N ATOM 835 CA PHE A 54 -7.479 3.631 5.009 1.00 0.00 C ATOM 836 C PHE A 54 -8.804 2.950 4.588 1.00 0.00 C ATOM 837 O PHE A 54 -9.898 3.447 4.854 1.00 0.00 O ATOM 838 CB PHE A 54 -7.208 3.363 6.504 1.00 0.00 C ATOM 839 CG PHE A 54 -5.986 4.072 7.073 1.00 0.00 C ATOM 840 CD1 PHE A 54 -6.051 5.446 7.401 1.00 0.00 C ATOM 841 CD2 PHE A 54 -4.770 3.369 7.244 1.00 0.00 C ATOM 842 CE1 PHE A 54 -4.884 6.134 7.805 1.00 0.00 C ATOM 843 CE2 PHE A 54 -3.615 4.047 7.689 1.00 0.00 C ATOM 844 CZ PHE A 54 -3.668 5.435 7.945 1.00 0.00 C ATOM 0 H PHE A 54 -8.157 5.573 5.354 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.684 3.201 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.085 3.666 7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -7.087 2.290 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.993 5.970 7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.726 2.311 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.924 7.194 8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.692 3.505 7.834 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.775 5.962 8.249 1.00 0.00 H new ATOM 854 N TYR A 55 -8.687 1.783 3.927 1.00 0.00 N ATOM 855 CA TYR A 55 -9.737 0.835 3.537 1.00 0.00 C ATOM 856 C TYR A 55 -9.653 -0.482 4.349 1.00 0.00 C ATOM 857 O TYR A 55 -8.787 -0.658 5.203 1.00 0.00 O ATOM 858 CB TYR A 55 -9.596 0.506 2.032 1.00 0.00 C ATOM 859 CG TYR A 55 -9.409 1.720 1.134 1.00 0.00 C ATOM 860 CD1 TYR A 55 -8.131 2.280 0.912 1.00 0.00 C ATOM 861 CD2 TYR A 55 -10.545 2.322 0.534 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.991 3.451 0.140 1.00 0.00 C ATOM 863 CE2 TYR A 55 -10.404 3.495 -0.237 1.00 0.00 C ATOM 864 CZ TYR A 55 -9.128 4.065 -0.430 1.00 0.00 C ATOM 865 OH TYR A 55 -8.999 5.205 -1.169 1.00 0.00 O ATOM 0 H TYR A 55 -7.769 1.454 3.627 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.701 1.301 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.746 -0.163 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.484 -0.037 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.257 1.808 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.522 1.881 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.012 3.880 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.274 3.957 -0.680 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.779 5.780 -1.023 1.00 0.00 H new ATOM 875 N ALA A 56 -10.577 -1.420 4.025 1.00 0.00 N ATOM 876 CA ALA A 56 -10.507 -2.845 4.373 1.00 0.00 C ATOM 877 C ALA A 56 -9.598 -3.622 3.395 1.00 0.00 C ATOM 878 O ALA A 56 -8.829 -4.488 3.825 1.00 0.00 O ATOM 879 CB ALA A 56 -11.921 -3.447 4.386 1.00 0.00 C ATOM 0 H ALA A 56 -11.418 -1.188 3.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.069 -2.932 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.864 -4.504 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.532 -2.926 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.372 -3.339 3.399 1.00 0.00 H new ATOM 885 N ASN A 57 -9.691 -3.334 2.081 1.00 0.00 N ATOM 886 CA ASN A 57 -8.974 -4.036 1.007 1.00 0.00 C ATOM 887 C ASN A 57 -8.871 -3.173 -0.273 1.00 0.00 C ATOM 888 O ASN A 57 -9.372 -2.050 -0.324 1.00 0.00 O ATOM 889 CB ASN A 57 -9.692 -5.364 0.681 1.00 0.00 C ATOM 890 CG ASN A 57 -11.035 -5.169 -0.031 1.00 0.00 C ATOM 891 OD1 ASN A 57 -11.082 -5.014 -1.250 1.00 0.00 O ATOM 892 ND2 ASN A 57 -12.136 -5.181 0.725 1.00 0.00 N ATOM 0 H ASN A 57 -10.286 -2.583 1.732 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.962 -4.237 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.042 -5.976 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.856 -5.917 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.052 -5.059 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.061 -5.312 1.734 1.00 0.00 H new ATOM 899 N ALA A 58 -8.217 -3.735 -1.315 1.00 0.00 N ATOM 900 CA ALA A 58 -7.773 -3.048 -2.534 1.00 0.00 C ATOM 901 C ALA A 58 -8.939 -2.830 -3.524 1.00 0.00 C ATOM 902 O ALA A 58 -8.808 -2.043 -4.465 1.00 0.00 O ATOM 903 CB ALA A 58 -6.649 -3.860 -3.202 1.00 0.00 C ATOM 0 H ALA A 58 -7.977 -4.726 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.397 -2.064 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.320 -3.349 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.810 -3.955 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.020 -4.852 -3.460 1.00 0.00 H new ATOM 909 N SER A 59 -10.066 -3.538 -3.325 1.00 0.00 N ATOM 910 CA SER A 59 -11.338 -3.345 -4.039 1.00 0.00 C ATOM 911 C SER A 59 -12.044 -2.039 -3.615 1.00 0.00 C ATOM 912 O SER A 59 -12.623 -1.349 -4.455 1.00 0.00 O ATOM 913 CB SER A 59 -12.256 -4.566 -3.828 1.00 0.00 C ATOM 914 OG SER A 59 -13.193 -4.342 -2.793 1.00 0.00 O ATOM 0 H SER A 59 -10.116 -4.288 -2.636 1.00 0.00 H new ATOM 0 HA SER A 59 -11.115 -3.254 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.784 -4.789 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.650 -5.440 -3.588 1.00 0.00 H new ATOM 0 HG SER A 59 -12.758 -4.472 -1.924 1.00 0.00 H new ATOM 920 N GLU A 60 -11.976 -1.700 -2.315 1.00 0.00 N ATOM 921 CA GLU A 60 -12.370 -0.403 -1.737 1.00 0.00 C ATOM 922 C GLU A 60 -11.434 0.713 -2.248 1.00 0.00 C ATOM 923 O GLU A 60 -11.871 1.819 -2.567 1.00 0.00 O ATOM 924 CB GLU A 60 -12.356 -0.483 -0.195 1.00 0.00 C ATOM 925 CG GLU A 60 -13.717 -0.121 0.430 1.00 0.00 C ATOM 926 CD GLU A 60 -14.756 -1.248 0.370 1.00 0.00 C ATOM 927 OE1 GLU A 60 -14.957 -1.760 -0.753 1.00 0.00 O ATOM 928 OE2 GLU A 60 -15.329 -1.586 1.429 1.00 0.00 O ATOM 0 H GLU A 60 -11.630 -2.350 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.385 -0.163 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.077 -1.492 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.592 0.190 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.562 0.160 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.117 0.755 -0.081 1.00 0.00 H new ATOM 935 N ALA A 61 -10.122 0.390 -2.338 1.00 0.00 N ATOM 936 CA ALA A 61 -9.073 1.243 -2.911 1.00 0.00 C ATOM 937 C ALA A 61 -9.260 1.397 -4.439 1.00 0.00 C ATOM 938 O ALA A 61 -8.969 2.454 -4.999 1.00 0.00 O ATOM 939 CB ALA A 61 -7.688 0.658 -2.591 1.00 0.00 C ATOM 0 H ALA A 61 -9.761 -0.502 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.149 2.234 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.915 1.297 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.556 0.605 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.609 -0.343 -3.016 1.00 0.00 H new ATOM 945 N LEU A 62 -9.771 0.339 -5.096 1.00 0.00 N ATOM 946 CA LEU A 62 -10.321 0.348 -6.463 1.00 0.00 C ATOM 947 C LEU A 62 -11.617 1.185 -6.520 1.00 0.00 C ATOM 948 O LEU A 62 -11.873 1.889 -7.496 1.00 0.00 O ATOM 949 CB LEU A 62 -10.604 -1.099 -6.922 1.00 0.00 C ATOM 950 CG LEU A 62 -9.666 -1.669 -8.009 1.00 0.00 C ATOM 951 CD1 LEU A 62 -10.097 -3.107 -8.342 1.00 0.00 C ATOM 952 CD2 LEU A 62 -9.681 -0.833 -9.298 1.00 0.00 C ATOM 0 H LEU A 62 -9.813 -0.586 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.589 0.800 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.552 -1.751 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.627 -1.146 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.651 -1.644 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.439 -3.516 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.035 -3.723 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.123 -3.103 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.005 -1.278 -10.028 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.692 -0.811 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.357 0.184 -9.076 1.00 0.00 H new ATOM 964 N ALA A 63 -12.444 1.080 -5.455 1.00 0.00 N ATOM 965 CA ALA A 63 -13.670 1.856 -5.225 1.00 0.00 C ATOM 966 C ALA A 63 -13.365 3.364 -5.085 1.00 0.00 C ATOM 967 O ALA A 63 -14.251 4.196 -5.286 1.00 0.00 O ATOM 968 CB ALA A 63 -14.392 1.338 -3.969 1.00 0.00 C ATOM 0 H ALA A 63 -12.260 0.419 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.319 1.728 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.300 1.919 -3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.652 0.288 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.736 1.439 -3.104 1.00 0.00 H new ATOM 974 N ALA A 64 -12.115 3.709 -4.721 1.00 0.00 N ATOM 975 CA ALA A 64 -11.596 5.083 -4.641 1.00 0.00 C ATOM 976 C ALA A 64 -11.153 5.604 -6.026 1.00 0.00 C ATOM 977 O ALA A 64 -11.006 6.812 -6.218 1.00 0.00 O ATOM 978 CB ALA A 64 -10.425 5.139 -3.646 1.00 0.00 C ATOM 0 H ALA A 64 -11.416 3.012 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.400 5.730 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.044 6.159 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.770 4.826 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.630 4.472 -3.981 1.00 0.00 H new ATOM 984 N GLY A 65 -10.958 4.685 -6.992 1.00 0.00 N ATOM 985 CA GLY A 65 -10.439 4.951 -8.340 1.00 0.00 C ATOM 986 C GLY A 65 -8.899 5.055 -8.360 1.00 0.00 C ATOM 987 O GLY A 65 -8.343 5.891 -9.075 1.00 0.00 O ATOM 0 H GLY A 65 -11.168 3.698 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.757 4.155 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.869 5.879 -8.717 1.00 0.00 H new ATOM 991 N PHE A 66 -8.212 4.212 -7.564 1.00 0.00 N ATOM 992 CA PHE A 66 -6.754 4.205 -7.385 1.00 0.00 C ATOM 993 C PHE A 66 -6.124 2.952 -8.033 1.00 0.00 C ATOM 994 O PHE A 66 -6.828 1.985 -8.327 1.00 0.00 O ATOM 995 CB PHE A 66 -6.401 4.261 -5.885 1.00 0.00 C ATOM 996 CG PHE A 66 -6.788 5.548 -5.167 1.00 0.00 C ATOM 997 CD1 PHE A 66 -7.385 6.613 -5.881 1.00 0.00 C ATOM 998 CD2 PHE A 66 -6.531 5.694 -3.785 1.00 0.00 C ATOM 999 CE1 PHE A 66 -7.806 7.776 -5.201 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -6.929 6.869 -3.110 1.00 0.00 C ATOM 1001 CZ PHE A 66 -7.557 7.913 -3.819 1.00 0.00 C ATOM 0 H PHE A 66 -8.678 3.493 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.346 5.087 -7.879 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.889 3.425 -5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.326 4.114 -5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.519 6.536 -6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.029 4.905 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.318 8.560 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.752 6.968 -2.049 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.847 8.817 -3.305 1.00 0.00 H new ATOM 1011 N ARG A 67 -4.797 2.980 -8.264 1.00 0.00 N ATOM 1012 CA ARG A 67 -4.028 1.947 -8.971 1.00 0.00 C ATOM 1013 C ARG A 67 -2.980 1.285 -8.041 1.00 0.00 C ATOM 1014 O ARG A 67 -2.588 1.897 -7.045 1.00 0.00 O ATOM 1015 CB ARG A 67 -3.337 2.580 -10.200 1.00 0.00 C ATOM 1016 CG ARG A 67 -4.264 2.645 -11.418 1.00 0.00 C ATOM 1017 CD ARG A 67 -5.375 3.695 -11.302 1.00 0.00 C ATOM 1018 NE ARG A 67 -6.152 3.726 -12.550 1.00 0.00 N ATOM 1019 CZ ARG A 67 -5.972 4.563 -13.584 1.00 0.00 C ATOM 1020 NH1 ARG A 67 -5.004 5.493 -13.569 1.00 0.00 N ATOM 1021 NH2 ARG A 67 -6.780 4.461 -14.648 1.00 0.00 N ATOM 0 H ARG A 67 -4.212 3.754 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.713 1.164 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.001 3.586 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.448 2.001 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.667 2.859 -12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.718 1.666 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.027 3.459 -10.461 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.944 4.676 -11.105 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.904 3.042 -12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.387 5.574 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.885 6.119 -14.366 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.517 3.756 -14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.658 5.088 -15.443 1.00 0.00 H new ATOM 1035 N PRO A 68 -2.542 0.031 -8.311 1.00 0.00 N ATOM 1036 CA PRO A 68 -1.682 -0.761 -7.414 1.00 0.00 C ATOM 1037 C PRO A 68 -0.190 -0.360 -7.398 1.00 0.00 C ATOM 1038 O PRO A 68 0.505 -0.534 -8.403 1.00 0.00 O ATOM 1039 CB PRO A 68 -1.872 -2.224 -7.863 1.00 0.00 C ATOM 1040 CG PRO A 68 -2.138 -2.100 -9.364 1.00 0.00 C ATOM 1041 CD PRO A 68 -2.882 -0.777 -9.477 1.00 0.00 C ATOM 0 HA PRO A 68 -1.983 -0.585 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.986 -2.825 -7.660 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.705 -2.699 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.211 -2.091 -9.938 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.736 -2.931 -9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.602 -0.259 -10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.958 -0.947 -9.523 1.00 0.00 H new ATOM 1049 N CYS A 69 0.308 0.157 -6.259 1.00 0.00 N ATOM 1050 CA CYS A 69 1.713 0.504 -5.990 1.00 0.00 C ATOM 1051 C CYS A 69 2.662 -0.586 -6.530 1.00 0.00 C ATOM 1052 O CYS A 69 2.311 -1.770 -6.526 1.00 0.00 O ATOM 1053 CB CYS A 69 1.870 0.743 -4.468 1.00 0.00 C ATOM 1054 SG CYS A 69 3.600 0.929 -3.923 1.00 0.00 S ATOM 0 H CYS A 69 -0.293 0.354 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 69 1.990 1.420 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.314 1.639 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.418 -0.091 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 69 3.625 1.363 -2.698 1.00 0.00 H new ATOM 1059 N LYS A 70 3.871 -0.198 -6.984 1.00 0.00 N ATOM 1060 CA LYS A 70 4.855 -1.057 -7.663 1.00 0.00 C ATOM 1061 C LYS A 70 5.767 -1.773 -6.636 1.00 0.00 C ATOM 1062 O LYS A 70 6.871 -2.208 -6.965 1.00 0.00 O ATOM 1063 CB LYS A 70 5.675 -0.208 -8.658 1.00 0.00 C ATOM 1064 CG LYS A 70 6.312 -1.042 -9.783 1.00 0.00 C ATOM 1065 CD LYS A 70 7.566 -0.377 -10.368 1.00 0.00 C ATOM 1066 CE LYS A 70 7.455 -0.305 -11.899 1.00 0.00 C ATOM 1067 NZ LYS A 70 8.657 0.288 -12.511 1.00 0.00 N ATOM 0 H LYS A 70 4.199 0.762 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 70 4.332 -1.835 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.028 0.550 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.460 0.319 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.573 -2.027 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.581 -1.194 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.682 0.625 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.454 -0.943 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.301 -1.307 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.580 0.285 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.542 0.318 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.790 1.254 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.489 -0.289 -12.272 1.00 0.00 H new ATOM 1081 N ARG A 71 5.295 -1.871 -5.383 1.00 0.00 N ATOM 1082 CA ARG A 71 5.989 -2.362 -4.186 1.00 0.00 C ATOM 1083 C ARG A 71 5.094 -3.377 -3.433 1.00 0.00 C ATOM 1084 O ARG A 71 5.402 -4.558 -3.293 1.00 0.00 O ATOM 1085 CB ARG A 71 6.256 -1.135 -3.275 1.00 0.00 C ATOM 1086 CG ARG A 71 7.500 -1.246 -2.396 1.00 0.00 C ATOM 1087 CD ARG A 71 8.273 0.079 -2.322 1.00 0.00 C ATOM 1088 NE ARG A 71 8.684 0.524 -3.662 1.00 0.00 N ATOM 1089 CZ ARG A 71 8.089 1.486 -4.390 1.00 0.00 C ATOM 1090 NH1 ARG A 71 6.949 2.067 -3.980 1.00 0.00 N ATOM 1091 NH2 ARG A 71 8.644 1.876 -5.545 1.00 0.00 N ATOM 0 H ARG A 71 4.340 -1.585 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 71 6.919 -2.860 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.350 -0.249 -3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.388 -0.981 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.208 -1.552 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.153 -2.025 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.650 0.842 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.152 -0.044 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 71 9.493 0.062 -4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.518 1.780 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.515 2.795 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.511 1.444 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.200 2.605 -6.104 1.00 0.00 H new ATOM 1105 N CYS A 72 3.945 -2.841 -2.924 1.00 0.00 N ATOM 1106 CA CYS A 72 2.961 -3.538 -2.087 1.00 0.00 C ATOM 1107 C CYS A 72 1.916 -4.271 -2.955 1.00 0.00 C ATOM 1108 O CYS A 72 1.911 -5.501 -3.020 1.00 0.00 O ATOM 1109 CB CYS A 72 2.296 -2.537 -1.117 1.00 0.00 C ATOM 1110 SG CYS A 72 3.479 -1.291 -0.527 1.00 0.00 S ATOM 0 H CYS A 72 3.683 -1.871 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 72 3.473 -4.297 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.465 -2.041 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.880 -3.076 -0.266 1.00 0.00 H new ATOM 0 HG CYS A 72 4.551 -1.883 -0.090 1.00 0.00 H new ATOM 1115 N GLN A 73 1.031 -3.503 -3.620 1.00 0.00 N ATOM 1116 CA GLN A 73 -0.089 -4.006 -4.426 1.00 0.00 C ATOM 1117 C GLN A 73 0.441 -4.832 -5.628 1.00 0.00 C ATOM 1118 O GLN A 73 1.221 -4.291 -6.414 1.00 0.00 O ATOM 1119 CB GLN A 73 -0.909 -2.788 -4.901 1.00 0.00 C ATOM 1120 CG GLN A 73 -2.429 -3.043 -4.956 1.00 0.00 C ATOM 1121 CD GLN A 73 -3.028 -3.608 -3.658 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -3.775 -4.582 -3.708 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -2.719 -3.016 -2.499 1.00 0.00 N ATOM 0 H GLN A 73 1.081 -2.484 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.722 -4.669 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.715 -1.949 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.564 -2.493 -5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.933 -2.107 -5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.639 -3.737 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.096 -2.209 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.107 -3.372 -1.625 1.00 0.00 H new