USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 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 -101:sc= -0.26 USER MOD Set 1.2: A 42 CYS SG : rot 127:sc= 1.53 USER MOD Set 1.3: A 69 CYS SG : rot -138:sc= 1.01 USER MOD Set 1.4: A 72 CYS SG : rot 157:sc= -1.13 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= -1.23 K(o=-1.2,f=-0.54) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 140:sc= -0.117 USER MOD Single : A 41 SER OG : rot 56:sc= 0.347 USER MOD Single : A 46 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.7!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -16:sc= -2.39! USER MOD Single : A 57 ASN : amide:sc= -4! C(o=-4!,f=-8.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -16.803 -2.498 -0.077 1.00 0.00 N ATOM 132 CA ASP A 9 -15.623 -2.243 -0.917 1.00 0.00 C ATOM 133 C ASP A 9 -15.343 -0.731 -1.050 1.00 0.00 C ATOM 134 O ASP A 9 -14.195 -0.321 -1.235 1.00 0.00 O ATOM 135 CB ASP A 9 -15.821 -2.900 -2.299 1.00 0.00 C ATOM 136 CG ASP A 9 -17.160 -2.533 -2.952 1.00 0.00 C ATOM 137 OD1 ASP A 9 -17.373 -1.324 -3.192 1.00 0.00 O ATOM 138 OD2 ASP A 9 -17.953 -3.469 -3.198 1.00 0.00 O ATOM 0 HA ASP A 9 -14.750 -2.686 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.007 -2.598 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.760 -3.983 -2.192 1.00 0.00 H new ATOM 143 N ASP A 10 -16.396 0.101 -0.930 1.00 0.00 N ATOM 144 CA ASP A 10 -16.313 1.546 -0.669 1.00 0.00 C ATOM 145 C ASP A 10 -15.221 1.863 0.373 1.00 0.00 C ATOM 146 O ASP A 10 -14.146 2.377 0.045 1.00 0.00 O ATOM 147 CB ASP A 10 -17.700 2.059 -0.216 1.00 0.00 C ATOM 148 CG ASP A 10 -18.664 2.319 -1.379 1.00 0.00 C ATOM 149 OD1 ASP A 10 -18.628 3.451 -1.910 1.00 0.00 O ATOM 150 OD2 ASP A 10 -19.427 1.386 -1.715 1.00 0.00 O ATOM 0 H ASP A 10 -17.358 -0.228 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.029 2.062 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -18.146 1.329 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.570 2.981 0.351 1.00 0.00 H new ATOM 155 N GLN A 11 -15.505 1.574 1.661 1.00 0.00 N ATOM 156 CA GLN A 11 -14.707 2.030 2.809 1.00 0.00 C ATOM 157 C GLN A 11 -13.386 1.240 2.906 1.00 0.00 C ATOM 158 O GLN A 11 -12.410 1.733 3.473 1.00 0.00 O ATOM 159 CB GLN A 11 -15.544 1.878 4.098 1.00 0.00 C ATOM 160 CG GLN A 11 -15.424 3.078 5.055 1.00 0.00 C ATOM 161 CD GLN A 11 -15.785 2.771 6.517 1.00 0.00 C ATOM 162 OE1 GLN A 11 -14.950 2.253 7.257 1.00 0.00 O ATOM 163 NE2 GLN A 11 -17.011 3.081 6.949 1.00 0.00 N ATOM 0 H GLN A 11 -16.309 1.008 1.932 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.447 3.080 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.591 1.743 3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.230 0.974 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.401 3.454 5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.071 3.878 4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.683 3.510 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.275 2.889 7.915 1.00 0.00 H new ATOM 172 N ARG A 12 -13.345 0.025 2.325 1.00 0.00 N ATOM 173 CA ARG A 12 -12.114 -0.693 1.957 1.00 0.00 C ATOM 174 C ARG A 12 -11.083 0.286 1.348 1.00 0.00 C ATOM 175 O ARG A 12 -9.985 0.505 1.856 1.00 0.00 O ATOM 176 CB ARG A 12 -12.462 -1.810 0.955 1.00 0.00 C ATOM 177 CG ARG A 12 -12.558 -3.216 1.567 1.00 0.00 C ATOM 178 CD ARG A 12 -13.218 -3.208 2.951 1.00 0.00 C ATOM 179 NE ARG A 12 -13.868 -4.498 3.229 1.00 0.00 N ATOM 180 CZ ARG A 12 -13.899 -5.130 4.416 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.349 -4.588 5.514 1.00 0.00 N ATOM 182 NH2 ARG A 12 -14.490 -6.331 4.505 1.00 0.00 N ATOM 0 H ARG A 12 -14.191 -0.496 2.094 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.670 -1.137 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.413 -1.570 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.707 -1.822 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.129 -3.862 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.559 -3.643 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.468 -3.002 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.955 -2.406 3.003 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.339 -4.956 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.894 -3.677 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.386 -5.088 6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.910 -6.755 3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.520 -6.820 5.400 1.00 0.00 H new ATOM 196 N TRP A 13 -11.502 0.921 0.217 1.00 0.00 N ATOM 197 CA TRP A 13 -10.723 1.965 -0.457 1.00 0.00 C ATOM 198 C TRP A 13 -10.666 3.267 0.367 1.00 0.00 C ATOM 199 O TRP A 13 -9.766 4.087 0.133 1.00 0.00 O ATOM 200 CB TRP A 13 -11.268 2.244 -1.879 1.00 0.00 C ATOM 201 CG TRP A 13 -10.251 2.899 -2.780 1.00 0.00 C ATOM 202 CD1 TRP A 13 -10.335 4.129 -3.334 1.00 0.00 C ATOM 203 CD2 TRP A 13 -8.936 2.380 -3.158 1.00 0.00 C ATOM 204 NE1 TRP A 13 -9.168 4.426 -4.007 1.00 0.00 N ATOM 205 CE2 TRP A 13 -8.264 3.387 -3.925 1.00 0.00 C ATOM 206 CE3 TRP A 13 -8.241 1.166 -2.936 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -6.950 3.213 -4.397 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -6.959 0.945 -3.493 1.00 0.00 C ATOM 209 CH2 TRP A 13 -6.310 1.970 -4.211 1.00 0.00 C ATOM 0 H TRP A 13 -12.389 0.714 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 13 -9.704 1.588 -0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -11.593 1.306 -2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -12.147 2.884 -1.806 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -11.191 4.784 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -8.996 5.301 -4.502 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -8.697 0.396 -2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.437 4.022 -4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.476 -0.013 -3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.324 1.804 -4.618 1.00 0.00 H new ATOM 220 N GLN A 14 -11.585 3.471 1.337 1.00 0.00 N ATOM 221 CA GLN A 14 -11.511 4.593 2.295 1.00 0.00 C ATOM 222 C GLN A 14 -10.280 4.437 3.214 1.00 0.00 C ATOM 223 O GLN A 14 -9.418 5.320 3.247 1.00 0.00 O ATOM 224 CB GLN A 14 -12.819 4.685 3.108 1.00 0.00 C ATOM 225 CG GLN A 14 -13.597 5.997 2.878 1.00 0.00 C ATOM 226 CD GLN A 14 -13.553 6.996 4.044 1.00 0.00 C ATOM 227 OE1 GLN A 14 -14.542 7.138 4.763 1.00 0.00 O ATOM 228 NE2 GLN A 14 -12.436 7.702 4.246 1.00 0.00 N ATOM 0 H GLN A 14 -12.394 2.865 1.476 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.394 5.526 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.459 3.842 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.585 4.592 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.200 6.485 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.638 5.752 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.630 7.566 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.390 8.376 5.010 1.00 0.00 H new ATOM 237 N SER A 15 -10.200 3.325 3.969 1.00 0.00 N ATOM 238 CA SER A 15 -9.048 2.966 4.818 1.00 0.00 C ATOM 239 C SER A 15 -7.721 2.903 4.018 1.00 0.00 C ATOM 240 O SER A 15 -6.646 3.147 4.564 1.00 0.00 O ATOM 241 CB SER A 15 -9.320 1.635 5.544 1.00 0.00 C ATOM 242 OG SER A 15 -9.446 1.814 6.941 1.00 0.00 O ATOM 0 H SER A 15 -10.951 2.636 4.007 1.00 0.00 H new ATOM 0 HA SER A 15 -8.926 3.756 5.559 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.233 1.187 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.508 0.937 5.339 1.00 0.00 H new ATOM 0 HG SER A 15 -9.620 0.949 7.367 1.00 0.00 H new ATOM 248 N VAL A 16 -7.832 2.587 2.710 1.00 0.00 N ATOM 249 CA VAL A 16 -6.724 2.419 1.762 1.00 0.00 C ATOM 250 C VAL A 16 -6.374 3.763 1.087 1.00 0.00 C ATOM 251 O VAL A 16 -5.210 3.980 0.722 1.00 0.00 O ATOM 252 CB VAL A 16 -7.085 1.336 0.709 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.298 1.513 -0.603 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.821 -0.091 1.224 1.00 0.00 C ATOM 0 H VAL A 16 -8.741 2.436 2.272 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.841 2.085 2.307 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.151 1.469 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.585 0.732 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.522 2.490 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.230 1.443 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.089 -0.812 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.765 -0.199 1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.422 -0.273 2.115 1.00 0.00 H new ATOM 264 N LEU A 17 -7.357 4.665 0.896 1.00 0.00 N ATOM 265 CA LEU A 17 -7.163 6.034 0.394 1.00 0.00 C ATOM 266 C LEU A 17 -6.506 6.924 1.474 1.00 0.00 C ATOM 267 O LEU A 17 -5.618 7.722 1.173 1.00 0.00 O ATOM 268 CB LEU A 17 -8.512 6.652 -0.031 1.00 0.00 C ATOM 269 CG LEU A 17 -8.907 6.418 -1.505 1.00 0.00 C ATOM 270 CD1 LEU A 17 -10.158 7.248 -1.833 1.00 0.00 C ATOM 271 CD2 LEU A 17 -7.777 6.804 -2.475 1.00 0.00 C ATOM 0 H LEU A 17 -8.335 4.452 1.093 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.504 5.983 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.297 6.246 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.475 7.726 0.153 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.106 5.354 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.440 7.085 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.978 6.943 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.945 8.305 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.100 6.623 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.537 7.860 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.893 6.203 -2.261 1.00 0.00 H new ATOM 283 N ALA A 18 -6.945 6.758 2.737 1.00 0.00 N ATOM 284 CA ALA A 18 -6.421 7.442 3.928 1.00 0.00 C ATOM 285 C ALA A 18 -4.922 7.117 4.130 1.00 0.00 C ATOM 286 O ALA A 18 -4.220 7.840 4.838 1.00 0.00 O ATOM 287 CB ALA A 18 -7.233 7.038 5.169 1.00 0.00 C ATOM 0 H ALA A 18 -7.706 6.117 2.961 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.518 8.518 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.837 7.550 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.277 7.317 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.162 5.960 5.315 1.00 0.00 H new ATOM 293 N ARG A 19 -4.460 6.010 3.513 1.00 0.00 N ATOM 294 CA ARG A 19 -3.140 5.398 3.720 1.00 0.00 C ATOM 295 C ARG A 19 -2.949 4.980 5.197 1.00 0.00 C ATOM 296 O ARG A 19 -1.818 4.802 5.648 1.00 0.00 O ATOM 297 CB ARG A 19 -2.027 6.348 3.231 1.00 0.00 C ATOM 298 CG ARG A 19 -1.534 7.343 4.294 1.00 0.00 C ATOM 299 CD ARG A 19 -1.784 8.791 3.844 1.00 0.00 C ATOM 300 NE ARG A 19 -0.541 9.445 3.408 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.333 10.008 2.203 1.00 0.00 C ATOM 302 NH1 ARG A 19 -1.287 10.012 1.258 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.852 10.578 1.939 1.00 0.00 N ATOM 0 H ARG A 19 -5.022 5.501 2.831 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.076 4.487 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.181 5.752 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.394 6.906 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.046 7.157 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.470 7.192 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.506 8.799 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.225 9.357 4.665 1.00 0.00 H new ATOM 0 HE ARG A 19 0.229 9.475 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.193 9.582 1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.106 10.445 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.585 10.582 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.020 11.007 1.029 1.00 0.00 H new ATOM 317 N ASP A 20 -4.071 4.813 5.926 1.00 0.00 N ATOM 318 CA ASP A 20 -4.117 4.467 7.353 1.00 0.00 C ATOM 319 C ASP A 20 -3.247 3.217 7.642 1.00 0.00 C ATOM 320 O ASP A 20 -3.749 2.099 7.514 1.00 0.00 O ATOM 321 CB ASP A 20 -5.587 4.247 7.778 1.00 0.00 C ATOM 322 CG ASP A 20 -5.749 3.911 9.264 1.00 0.00 C ATOM 323 OD1 ASP A 20 -5.535 4.828 10.086 1.00 0.00 O ATOM 324 OD2 ASP A 20 -6.091 2.743 9.556 1.00 0.00 O ATOM 0 H ASP A 20 -5.000 4.920 5.519 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.705 5.288 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.161 5.146 7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.012 3.439 7.182 1.00 0.00 H new ATOM 329 N PRO A 21 -1.945 3.369 7.983 1.00 0.00 N ATOM 330 CA PRO A 21 -0.960 2.273 8.015 1.00 0.00 C ATOM 331 C PRO A 21 -1.294 1.198 9.075 1.00 0.00 C ATOM 332 O PRO A 21 -0.684 0.128 9.090 1.00 0.00 O ATOM 333 CB PRO A 21 0.404 2.924 8.297 1.00 0.00 C ATOM 334 CG PRO A 21 0.188 4.410 8.026 1.00 0.00 C ATOM 335 CD PRO A 21 -1.285 4.603 8.393 1.00 0.00 C ATOM 0 HA PRO A 21 -0.963 1.743 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.720 2.751 9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.180 2.513 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.843 5.033 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.384 4.665 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.405 4.777 9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.709 5.466 7.880 1.00 0.00 H new ATOM 343 N ASN A 22 -2.254 1.499 9.971 1.00 0.00 N ATOM 344 CA ASN A 22 -2.583 0.744 11.189 1.00 0.00 C ATOM 345 C ASN A 22 -3.715 -0.274 10.935 1.00 0.00 C ATOM 346 O ASN A 22 -4.276 -0.829 11.886 1.00 0.00 O ATOM 347 CB ASN A 22 -2.995 1.730 12.305 1.00 0.00 C ATOM 348 CG ASN A 22 -3.274 1.060 13.656 1.00 0.00 C ATOM 349 OD1 ASN A 22 -4.123 1.522 14.419 1.00 0.00 O ATOM 350 ND2 ASN A 22 -2.571 -0.034 13.959 1.00 0.00 N ATOM 0 H ASN A 22 -2.850 2.319 9.856 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.700 0.184 11.497 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.204 2.469 12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.887 2.270 11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.730 -0.513 14.845 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.875 -0.391 13.304 1.00 0.00 H new ATOM 357 N ALA A 23 -4.044 -0.541 9.656 1.00 0.00 N ATOM 358 CA ALA A 23 -4.857 -1.680 9.203 1.00 0.00 C ATOM 359 C ALA A 23 -3.970 -2.837 8.696 1.00 0.00 C ATOM 360 O ALA A 23 -4.463 -3.746 8.025 1.00 0.00 O ATOM 361 CB ALA A 23 -5.827 -1.217 8.104 1.00 0.00 C ATOM 0 H ALA A 23 -3.739 0.053 8.885 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.429 -2.056 10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.428 -2.062 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.481 -0.440 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.260 -0.820 7.262 1.00 0.00 H new ATOM 367 N ASP A 24 -2.667 -2.819 9.040 1.00 0.00 N ATOM 368 CA ASP A 24 -1.755 -3.971 8.975 1.00 0.00 C ATOM 369 C ASP A 24 -2.315 -5.167 9.775 1.00 0.00 C ATOM 370 O ASP A 24 -2.580 -5.044 10.972 1.00 0.00 O ATOM 371 CB ASP A 24 -0.359 -3.550 9.486 1.00 0.00 C ATOM 372 CG ASP A 24 -0.293 -3.384 11.008 1.00 0.00 C ATOM 373 OD1 ASP A 24 -0.837 -2.371 11.499 1.00 0.00 O ATOM 374 OD2 ASP A 24 0.303 -4.271 11.659 1.00 0.00 O ATOM 0 H ASP A 24 -2.209 -1.974 9.381 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.663 -4.297 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.373 -4.296 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.075 -2.610 9.013 1.00 0.00 H new ATOM 379 N GLY A 25 -2.511 -6.320 9.105 1.00 0.00 N ATOM 380 CA GLY A 25 -3.089 -7.547 9.667 1.00 0.00 C ATOM 381 C GLY A 25 -4.628 -7.561 9.567 1.00 0.00 C ATOM 382 O GLY A 25 -5.242 -8.631 9.596 1.00 0.00 O ATOM 0 H GLY A 25 -2.260 -6.421 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.684 -8.412 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.793 -7.641 10.712 1.00 0.00 H new ATOM 386 N GLU A 26 -5.254 -6.372 9.468 1.00 0.00 N ATOM 387 CA GLU A 26 -6.704 -6.180 9.310 1.00 0.00 C ATOM 388 C GLU A 26 -7.160 -6.600 7.897 1.00 0.00 C ATOM 389 O GLU A 26 -8.270 -7.104 7.724 1.00 0.00 O ATOM 390 CB GLU A 26 -7.076 -4.710 9.605 1.00 0.00 C ATOM 391 CG GLU A 26 -8.388 -4.585 10.404 1.00 0.00 C ATOM 392 CD GLU A 26 -9.657 -4.719 9.555 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.638 -4.167 8.433 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.623 -5.362 10.025 1.00 0.00 O ATOM 0 H GLU A 26 -4.743 -5.489 9.497 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.225 -6.816 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.267 -4.238 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.173 -4.167 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.402 -5.350 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.402 -3.619 10.908 1.00 0.00 H new ATOM 401 N PHE A 27 -6.294 -6.389 6.879 1.00 0.00 N ATOM 402 CA PHE A 27 -6.470 -6.906 5.514 1.00 0.00 C ATOM 403 C PHE A 27 -5.201 -6.724 4.647 1.00 0.00 C ATOM 404 O PHE A 27 -4.178 -6.211 5.099 1.00 0.00 O ATOM 405 CB PHE A 27 -7.658 -6.195 4.827 1.00 0.00 C ATOM 406 CG PHE A 27 -7.595 -4.673 4.811 1.00 0.00 C ATOM 407 CD1 PHE A 27 -7.905 -3.917 5.963 1.00 0.00 C ATOM 408 CD2 PHE A 27 -7.199 -4.001 3.624 1.00 0.00 C ATOM 409 CE1 PHE A 27 -7.903 -2.505 5.909 1.00 0.00 C ATOM 410 CE2 PHE A 27 -7.163 -2.592 3.584 1.00 0.00 C ATOM 411 CZ PHE A 27 -7.543 -1.842 4.717 1.00 0.00 C ATOM 0 H PHE A 27 -5.439 -5.844 6.992 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.667 -7.975 5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.724 -6.549 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.578 -6.497 5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.144 -4.420 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.924 -4.571 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.178 -1.932 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.844 -2.086 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.558 -0.763 4.672 1.00 0.00 H new ATOM 421 N VAL A 28 -5.306 -7.128 3.362 1.00 0.00 N ATOM 422 CA VAL A 28 -4.450 -6.731 2.236 1.00 0.00 C ATOM 423 C VAL A 28 -5.336 -6.368 1.025 1.00 0.00 C ATOM 424 O VAL A 28 -6.548 -6.618 1.053 1.00 0.00 O ATOM 425 CB VAL A 28 -3.434 -7.849 1.871 1.00 0.00 C ATOM 426 CG1 VAL A 28 -2.774 -8.451 3.129 1.00 0.00 C ATOM 427 CG2 VAL A 28 -4.065 -9.000 1.062 1.00 0.00 C ATOM 0 H VAL A 28 -6.036 -7.779 3.072 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.868 -5.857 2.529 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.685 -7.357 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.070 -9.229 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.243 -7.668 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.542 -8.881 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.304 -9.748 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.864 -9.458 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.473 -8.609 0.130 1.00 0.00 H new ATOM 437 N PHE A 29 -4.758 -5.788 -0.050 1.00 0.00 N ATOM 438 CA PHE A 29 -5.441 -5.558 -1.334 1.00 0.00 C ATOM 439 C PHE A 29 -4.500 -5.849 -2.527 1.00 0.00 C ATOM 440 O PHE A 29 -3.279 -5.877 -2.381 1.00 0.00 O ATOM 441 CB PHE A 29 -6.001 -4.121 -1.422 1.00 0.00 C ATOM 442 CG PHE A 29 -4.999 -2.984 -1.590 1.00 0.00 C ATOM 443 CD1 PHE A 29 -3.612 -3.230 -1.693 1.00 0.00 C ATOM 444 CD2 PHE A 29 -5.472 -1.648 -1.618 1.00 0.00 C ATOM 445 CE1 PHE A 29 -2.716 -2.166 -1.925 1.00 0.00 C ATOM 446 CE2 PHE A 29 -4.572 -0.581 -1.830 1.00 0.00 C ATOM 447 CZ PHE A 29 -3.194 -0.839 -1.977 1.00 0.00 C ATOM 0 H PHE A 29 -3.791 -5.464 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.281 -6.251 -1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.697 -4.082 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.579 -3.929 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.236 -4.238 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.523 -1.446 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.664 -2.367 -2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.940 0.433 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.504 -0.022 -2.129 1.00 0.00 H new ATOM 457 N ALA A 30 -5.105 -6.104 -3.709 1.00 0.00 N ATOM 458 CA ALA A 30 -4.492 -6.752 -4.876 1.00 0.00 C ATOM 459 C ALA A 30 -4.827 -5.997 -6.181 1.00 0.00 C ATOM 460 O ALA A 30 -5.996 -5.928 -6.570 1.00 0.00 O ATOM 461 CB ALA A 30 -4.966 -8.213 -4.965 1.00 0.00 C ATOM 0 H ALA A 30 -6.078 -5.849 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.409 -6.729 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.510 -8.691 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.674 -8.746 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.051 -8.238 -5.066 1.00 0.00 H new ATOM 467 N VAL A 31 -3.806 -5.449 -6.868 1.00 0.00 N ATOM 468 CA VAL A 31 -3.914 -4.799 -8.182 1.00 0.00 C ATOM 469 C VAL A 31 -3.639 -5.822 -9.305 1.00 0.00 C ATOM 470 O VAL A 31 -2.496 -6.237 -9.502 1.00 0.00 O ATOM 471 CB VAL A 31 -2.938 -3.596 -8.263 1.00 0.00 C ATOM 472 CG1 VAL A 31 -2.902 -2.975 -9.672 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.298 -2.479 -7.266 1.00 0.00 C ATOM 0 H VAL A 31 -2.852 -5.448 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.928 -4.420 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.960 -4.007 -8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.206 -2.136 -9.682 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.577 -3.726 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.898 -2.623 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.584 -1.661 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.302 -2.112 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.263 -2.873 -6.250 1.00 0.00 H new ATOM 483 N ARG A 32 -4.692 -6.214 -10.050 1.00 0.00 N ATOM 484 CA ARG A 32 -4.665 -7.241 -11.101 1.00 0.00 C ATOM 485 C ARG A 32 -3.625 -6.900 -12.191 1.00 0.00 C ATOM 486 O ARG A 32 -3.120 -7.796 -12.868 1.00 0.00 O ATOM 487 CB ARG A 32 -6.077 -7.390 -11.703 1.00 0.00 C ATOM 488 CG ARG A 32 -6.959 -8.367 -10.908 1.00 0.00 C ATOM 489 CD ARG A 32 -8.248 -7.696 -10.413 1.00 0.00 C ATOM 490 NE ARG A 32 -9.405 -8.122 -11.215 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.128 -9.241 -11.026 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.829 -10.110 -10.048 1.00 0.00 N ATOM 493 NH2 ARG A 32 -11.171 -9.494 -11.830 1.00 0.00 N ATOM 0 H ARG A 32 -5.619 -5.806 -9.928 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.364 -8.192 -10.661 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.560 -6.413 -11.734 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.994 -7.737 -12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.212 -9.222 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.399 -8.752 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.414 -7.948 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.142 -6.612 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.685 -7.514 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.039 -9.929 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.392 -10.952 -9.924 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.410 -8.841 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.726 -10.339 -11.695 1.00 0.00 H new ATOM 507 N THR A 33 -3.325 -5.599 -12.369 1.00 0.00 N ATOM 508 CA THR A 33 -2.631 -5.033 -13.535 1.00 0.00 C ATOM 509 C THR A 33 -1.100 -5.139 -13.367 1.00 0.00 C ATOM 510 O THR A 33 -0.373 -5.238 -14.357 1.00 0.00 O ATOM 511 CB THR A 33 -3.075 -3.565 -13.749 1.00 0.00 C ATOM 512 OG1 THR A 33 -2.696 -3.120 -15.039 1.00 0.00 O ATOM 513 CG2 THR A 33 -2.472 -2.596 -12.718 1.00 0.00 C ATOM 0 H THR A 33 -3.570 -4.890 -11.678 1.00 0.00 H new ATOM 0 HA THR A 33 -2.901 -5.607 -14.421 1.00 0.00 H new ATOM 0 HB THR A 33 -4.159 -3.561 -13.632 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.984 -2.191 -15.162 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.821 -1.584 -12.922 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.782 -2.892 -11.716 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.384 -2.625 -12.784 1.00 0.00 H new ATOM 521 N THR A 34 -0.612 -5.103 -12.112 1.00 0.00 N ATOM 522 CA THR A 34 0.809 -5.181 -11.743 1.00 0.00 C ATOM 523 C THR A 34 1.173 -6.601 -11.259 1.00 0.00 C ATOM 524 O THR A 34 2.337 -6.999 -11.326 1.00 0.00 O ATOM 525 CB THR A 34 1.131 -4.119 -10.663 1.00 0.00 C ATOM 526 OG1 THR A 34 2.508 -4.155 -10.333 1.00 0.00 O ATOM 527 CG2 THR A 34 0.328 -4.315 -9.366 1.00 0.00 C ATOM 0 H THR A 34 -1.222 -5.015 -11.299 1.00 0.00 H new ATOM 0 HA THR A 34 1.415 -4.971 -12.624 1.00 0.00 H new ATOM 0 HB THR A 34 0.854 -3.158 -11.097 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.841 -3.240 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.599 -3.540 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.738 -4.250 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.553 -5.294 -8.943 1.00 0.00 H new ATOM 535 N GLY A 35 0.177 -7.356 -10.757 1.00 0.00 N ATOM 536 CA GLY A 35 0.350 -8.602 -9.995 1.00 0.00 C ATOM 537 C GLY A 35 1.097 -8.358 -8.666 1.00 0.00 C ATOM 538 O GLY A 35 2.037 -9.080 -8.334 1.00 0.00 O ATOM 0 H GLY A 35 -0.804 -7.104 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.626 -9.041 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.903 -9.323 -10.597 1.00 0.00 H new ATOM 542 N ILE A 36 0.676 -7.316 -7.918 1.00 0.00 N ATOM 543 CA ILE A 36 1.197 -6.926 -6.601 1.00 0.00 C ATOM 544 C ILE A 36 0.064 -6.980 -5.552 1.00 0.00 C ATOM 545 O ILE A 36 -1.111 -6.853 -5.905 1.00 0.00 O ATOM 546 CB ILE A 36 1.830 -5.508 -6.672 1.00 0.00 C ATOM 547 CG1 ILE A 36 3.129 -5.481 -7.512 1.00 0.00 C ATOM 548 CG2 ILE A 36 2.113 -4.963 -5.257 1.00 0.00 C ATOM 549 CD1 ILE A 36 3.816 -4.109 -7.549 1.00 0.00 C ATOM 0 H ILE A 36 -0.071 -6.698 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 36 1.976 -7.626 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 36 1.101 -4.867 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.826 -6.215 -7.109 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.897 -5.788 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.556 -3.970 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.180 -4.903 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.804 -5.630 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.719 -4.170 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.137 -3.374 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.081 -3.807 -6.536 1.00 0.00 H new ATOM 561 N PHE A 37 0.418 -7.146 -4.263 1.00 0.00 N ATOM 562 CA PHE A 37 -0.448 -6.897 -3.101 1.00 0.00 C ATOM 563 C PHE A 37 0.307 -6.103 -2.014 1.00 0.00 C ATOM 564 O PHE A 37 1.512 -6.302 -1.827 1.00 0.00 O ATOM 565 CB PHE A 37 -0.969 -8.233 -2.531 1.00 0.00 C ATOM 566 CG PHE A 37 0.101 -9.201 -2.043 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.909 -8.864 -0.930 1.00 0.00 C ATOM 568 CD2 PHE A 37 0.276 -10.454 -2.674 1.00 0.00 C ATOM 569 CE1 PHE A 37 1.901 -9.758 -0.478 1.00 0.00 C ATOM 570 CE2 PHE A 37 1.190 -11.393 -2.146 1.00 0.00 C ATOM 571 CZ PHE A 37 2.011 -11.040 -1.056 1.00 0.00 C ATOM 0 H PHE A 37 1.348 -7.469 -3.996 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.299 -6.299 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.643 -8.016 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.560 -8.730 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.765 -7.920 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.290 -10.694 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.577 -9.461 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.260 -12.381 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.724 -11.750 -0.664 1.00 0.00 H new ATOM 581 N CYS A 38 -0.385 -5.185 -1.312 1.00 0.00 N ATOM 582 CA CYS A 38 0.128 -4.411 -0.175 1.00 0.00 C ATOM 583 C CYS A 38 -0.750 -4.557 1.097 1.00 0.00 C ATOM 584 O CYS A 38 -1.760 -5.258 1.112 1.00 0.00 O ATOM 585 CB CYS A 38 0.191 -2.916 -0.578 1.00 0.00 C ATOM 586 SG CYS A 38 0.788 -2.630 -2.271 1.00 0.00 S ATOM 0 H CYS A 38 -1.354 -4.957 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 38 1.117 -4.799 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.803 -2.481 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.842 -2.390 0.120 1.00 0.00 H new ATOM 0 HG CYS A 38 2.037 -2.272 -2.236 1.00 0.00 H new ATOM 591 N ARG A 39 -0.354 -3.814 2.150 1.00 0.00 N ATOM 592 CA ARG A 39 -1.181 -3.369 3.279 1.00 0.00 C ATOM 593 C ARG A 39 -1.907 -2.056 2.884 1.00 0.00 C ATOM 594 O ARG A 39 -1.377 -1.347 2.006 1.00 0.00 O ATOM 595 CB ARG A 39 -0.258 -3.154 4.505 1.00 0.00 C ATOM 596 CG ARG A 39 -0.968 -2.588 5.738 1.00 0.00 C ATOM 597 CD ARG A 39 -0.303 -1.389 6.417 1.00 0.00 C ATOM 598 NE ARG A 39 1.119 -1.302 6.050 1.00 0.00 N ATOM 599 CZ ARG A 39 2.083 -2.183 6.368 1.00 0.00 C ATOM 600 NH1 ARG A 39 1.815 -3.279 7.095 1.00 0.00 N ATOM 601 NH2 ARG A 39 3.336 -1.956 5.947 1.00 0.00 N ATOM 0 H ARG A 39 0.610 -3.492 2.236 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.935 -4.114 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.202 -4.106 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.549 -2.478 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.978 -2.299 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.064 -3.387 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.815 -0.471 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.399 -1.479 7.499 1.00 0.00 H new ATOM 0 HE ARG A 39 1.402 -0.492 5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.864 -3.457 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.562 -3.934 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.546 -1.125 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.079 -2.615 6.180 1.00 0.00 H new ATOM 615 N PRO A 40 -3.096 -1.703 3.417 1.00 0.00 N ATOM 616 CA PRO A 40 -3.915 -0.560 2.968 1.00 0.00 C ATOM 617 C PRO A 40 -3.147 0.745 2.661 1.00 0.00 C ATOM 618 O PRO A 40 -3.635 1.582 1.894 1.00 0.00 O ATOM 619 CB PRO A 40 -4.965 -0.343 4.078 1.00 0.00 C ATOM 620 CG PRO A 40 -4.556 -1.273 5.218 1.00 0.00 C ATOM 621 CD PRO A 40 -3.822 -2.396 4.475 1.00 0.00 C ATOM 0 HA PRO A 40 -4.351 -0.808 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.979 0.696 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.967 -0.578 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.910 -0.773 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.420 -1.646 5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.144 -2.936 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.520 -3.127 4.067 1.00 0.00 H new ATOM 629 N SER A 41 -1.966 0.937 3.275 1.00 0.00 N ATOM 630 CA SER A 41 -1.264 2.219 3.454 1.00 0.00 C ATOM 631 C SER A 41 -0.494 2.670 2.195 1.00 0.00 C ATOM 632 O SER A 41 0.322 3.602 2.280 1.00 0.00 O ATOM 633 CB SER A 41 -0.327 2.111 4.679 1.00 0.00 C ATOM 634 OG SER A 41 1.041 2.101 4.326 1.00 0.00 O ATOM 0 H SER A 41 -1.448 0.158 3.682 1.00 0.00 H new ATOM 0 HA SER A 41 -2.013 2.992 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.518 2.948 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.561 1.200 5.230 1.00 0.00 H new ATOM 0 HG SER A 41 1.247 2.896 3.791 1.00 0.00 H new ATOM 640 N CYS A 42 -0.705 2.034 1.019 1.00 0.00 N ATOM 641 CA CYS A 42 0.202 2.133 -0.142 1.00 0.00 C ATOM 642 C CYS A 42 0.308 3.597 -0.625 1.00 0.00 C ATOM 643 O CYS A 42 -0.510 4.050 -1.427 1.00 0.00 O ATOM 644 CB CYS A 42 -0.264 1.185 -1.268 1.00 0.00 C ATOM 645 SG CYS A 42 1.058 0.811 -2.474 1.00 0.00 S ATOM 0 H CYS A 42 -1.514 1.436 0.851 1.00 0.00 H new ATOM 0 HA CYS A 42 1.201 1.819 0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.622 0.254 -0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.108 1.636 -1.790 1.00 0.00 H new ATOM 0 HG CYS A 42 1.180 -0.477 -2.598 1.00 0.00 H new ATOM 650 N ARG A 43 1.303 4.343 -0.105 1.00 0.00 N ATOM 651 CA ARG A 43 1.369 5.813 -0.106 1.00 0.00 C ATOM 652 C ARG A 43 1.586 6.367 -1.531 1.00 0.00 C ATOM 653 O ARG A 43 0.890 7.299 -1.945 1.00 0.00 O ATOM 654 CB ARG A 43 2.484 6.275 0.857 1.00 0.00 C ATOM 655 CG ARG A 43 3.764 6.709 0.124 1.00 0.00 C ATOM 656 CD ARG A 43 4.705 7.506 1.039 1.00 0.00 C ATOM 657 NE ARG A 43 5.613 6.608 1.769 1.00 0.00 N ATOM 658 CZ ARG A 43 6.558 6.984 2.652 1.00 0.00 C ATOM 659 NH1 ARG A 43 6.774 8.277 2.939 1.00 0.00 N ATOM 660 NH2 ARG A 43 7.300 6.046 3.259 1.00 0.00 N ATOM 0 H ARG A 43 2.114 3.918 0.345 1.00 0.00 H new ATOM 0 HA ARG A 43 0.416 6.211 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.116 7.106 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.722 5.464 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.284 5.828 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.499 7.316 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.285 8.212 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.120 8.092 1.747 1.00 0.00 H new ATOM 0 HE ARG A 43 5.518 5.608 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.216 9.000 2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.496 8.536 3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.146 5.060 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.019 6.319 3.929 1.00 0.00 H new ATOM 674 N ALA A 44 2.561 5.811 -2.277 1.00 0.00 N ATOM 675 CA ALA A 44 2.752 6.019 -3.719 1.00 0.00 C ATOM 676 C ALA A 44 1.401 6.007 -4.469 1.00 0.00 C ATOM 677 O ALA A 44 0.638 5.047 -4.347 1.00 0.00 O ATOM 678 CB ALA A 44 3.692 4.940 -4.282 1.00 0.00 C ATOM 0 H ALA A 44 3.258 5.184 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 44 3.205 6.999 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.830 5.099 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.657 5.000 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.256 3.955 -4.115 1.00 0.00 H new ATOM 684 N ARG A 45 1.107 7.083 -5.223 1.00 0.00 N ATOM 685 CA ARG A 45 -0.197 7.375 -5.837 1.00 0.00 C ATOM 686 C ARG A 45 -0.805 6.105 -6.472 1.00 0.00 C ATOM 687 O ARG A 45 -0.313 5.624 -7.493 1.00 0.00 O ATOM 688 CB ARG A 45 -0.031 8.507 -6.873 1.00 0.00 C ATOM 689 CG ARG A 45 -0.987 8.365 -8.069 1.00 0.00 C ATOM 690 CD ARG A 45 -0.363 8.897 -9.367 1.00 0.00 C ATOM 691 NE ARG A 45 -1.287 8.733 -10.501 1.00 0.00 N ATOM 692 CZ ARG A 45 -1.245 7.748 -11.417 1.00 0.00 C ATOM 693 NH1 ARG A 45 -0.301 6.795 -11.377 1.00 0.00 N ATOM 694 NH2 ARG A 45 -2.166 7.716 -12.391 1.00 0.00 N ATOM 0 H ARG A 45 1.802 7.801 -5.428 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.893 7.708 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.205 9.467 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.997 8.515 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.254 7.316 -8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.910 8.906 -7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.110 9.951 -9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.567 8.367 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.026 9.429 -10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.405 6.807 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.290 6.058 -12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.889 8.434 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.143 6.974 -13.090 1.00 0.00 H new ATOM 708 N HIS A 46 -1.861 5.548 -5.838 1.00 0.00 N ATOM 709 CA HIS A 46 -2.335 4.173 -6.052 1.00 0.00 C ATOM 710 C HIS A 46 -2.846 3.981 -7.501 1.00 0.00 C ATOM 711 O HIS A 46 -3.021 4.956 -8.232 1.00 0.00 O ATOM 712 CB HIS A 46 -3.426 3.773 -5.030 1.00 0.00 C ATOM 713 CG HIS A 46 -3.515 4.593 -3.767 1.00 0.00 C ATOM 714 ND1 HIS A 46 -4.137 5.844 -3.753 1.00 0.00 N ATOM 715 CD2 HIS A 46 -3.077 4.303 -2.500 1.00 0.00 C ATOM 716 CE1 HIS A 46 -4.057 6.251 -2.483 1.00 0.00 C ATOM 717 NE2 HIS A 46 -3.428 5.366 -1.693 1.00 0.00 N ATOM 0 H HIS A 46 -2.415 6.057 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.483 3.512 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.393 3.818 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.261 2.733 -4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.555 3.409 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.455 7.191 -2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.246 5.461 -0.694 1.00 0.00 H new ATOM 725 N ALA A 47 -3.112 2.718 -7.884 1.00 0.00 N ATOM 726 CA ALA A 47 -3.957 2.324 -9.021 1.00 0.00 C ATOM 727 C ALA A 47 -5.419 2.109 -8.565 1.00 0.00 C ATOM 728 O ALA A 47 -5.649 1.586 -7.472 1.00 0.00 O ATOM 729 CB ALA A 47 -3.397 1.052 -9.676 1.00 0.00 C ATOM 0 H ALA A 47 -2.727 1.914 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.950 3.127 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.029 0.767 -10.517 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.384 1.241 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.380 0.244 -8.945 1.00 0.00 H new ATOM 735 N LEU A 48 -6.395 2.540 -9.385 1.00 0.00 N ATOM 736 CA LEU A 48 -7.795 2.775 -8.998 1.00 0.00 C ATOM 737 C LEU A 48 -8.354 1.587 -8.184 1.00 0.00 C ATOM 738 O LEU A 48 -7.914 0.449 -8.349 1.00 0.00 O ATOM 739 CB LEU A 48 -8.657 3.001 -10.258 1.00 0.00 C ATOM 740 CG LEU A 48 -8.617 4.431 -10.842 1.00 0.00 C ATOM 741 CD1 LEU A 48 -9.727 4.581 -11.894 1.00 0.00 C ATOM 742 CD2 LEU A 48 -8.805 5.506 -9.759 1.00 0.00 C ATOM 0 H LEU A 48 -6.223 2.741 -10.370 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.830 3.665 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.332 2.303 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.691 2.753 -10.019 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.634 4.576 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.702 5.589 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.571 3.856 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.696 4.404 -11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.769 6.494 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.770 5.367 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.009 5.420 -9.019 1.00 0.00 H new ATOM 754 N ARG A 49 -9.322 1.869 -7.287 1.00 0.00 N ATOM 755 CA ARG A 49 -10.190 0.898 -6.605 1.00 0.00 C ATOM 756 C ARG A 49 -10.728 -0.167 -7.588 1.00 0.00 C ATOM 757 O ARG A 49 -11.008 -1.298 -7.193 1.00 0.00 O ATOM 758 CB ARG A 49 -11.349 1.650 -5.915 1.00 0.00 C ATOM 759 CG ARG A 49 -12.293 0.710 -5.150 1.00 0.00 C ATOM 760 CD ARG A 49 -13.327 0.066 -6.084 1.00 0.00 C ATOM 761 NE ARG A 49 -14.695 0.335 -5.618 1.00 0.00 N ATOM 762 CZ ARG A 49 -15.810 0.274 -6.369 1.00 0.00 C ATOM 763 NH1 ARG A 49 -15.761 -0.084 -7.662 1.00 0.00 N ATOM 764 NH2 ARG A 49 -16.992 0.576 -5.816 1.00 0.00 N ATOM 0 H ARG A 49 -9.526 2.829 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.605 0.370 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.939 2.387 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.918 2.199 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.711 -0.069 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.807 1.267 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.200 0.453 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.160 -1.010 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.809 0.591 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.866 -0.316 -8.093 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.618 -0.124 -8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.041 0.849 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.843 0.533 -6.376 1.00 0.00 H new ATOM 778 N GLU A 50 -10.896 0.227 -8.871 1.00 0.00 N ATOM 779 CA GLU A 50 -11.617 -0.506 -9.913 1.00 0.00 C ATOM 780 C GLU A 50 -10.797 -1.684 -10.466 1.00 0.00 C ATOM 781 O GLU A 50 -11.347 -2.628 -11.036 1.00 0.00 O ATOM 782 CB GLU A 50 -11.989 0.472 -11.043 1.00 0.00 C ATOM 783 CG GLU A 50 -12.906 -0.181 -12.084 1.00 0.00 C ATOM 784 CD GLU A 50 -12.982 0.576 -13.420 1.00 0.00 C ATOM 785 OE1 GLU A 50 -11.996 0.523 -14.189 1.00 0.00 O ATOM 786 OE2 GLU A 50 -14.044 1.199 -13.645 1.00 0.00 O ATOM 0 H GLU A 50 -10.511 1.107 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.519 -0.932 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.485 1.345 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.081 0.826 -11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.557 -1.196 -12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.910 -0.262 -11.667 1.00 0.00 H new ATOM 793 N ASN A 51 -9.459 -1.630 -10.279 1.00 0.00 N ATOM 794 CA ASN A 51 -8.495 -2.702 -10.559 1.00 0.00 C ATOM 795 C ASN A 51 -8.050 -3.414 -9.261 1.00 0.00 C ATOM 796 O ASN A 51 -7.342 -4.424 -9.326 1.00 0.00 O ATOM 797 CB ASN A 51 -7.264 -2.119 -11.285 1.00 0.00 C ATOM 798 CG ASN A 51 -7.556 -1.655 -12.722 1.00 0.00 C ATOM 799 OD1 ASN A 51 -7.860 -2.457 -13.601 1.00 0.00 O ATOM 800 ND2 ASN A 51 -7.447 -0.341 -12.954 1.00 0.00 N ATOM 0 H ASN A 51 -9.006 -0.794 -9.910 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.984 -3.439 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.881 -1.275 -10.711 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.477 -2.872 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.619 0.028 -13.889 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.192 0.291 -12.195 1.00 0.00 H new ATOM 807 N VAL A 52 -8.444 -2.886 -8.087 1.00 0.00 N ATOM 808 CA VAL A 52 -7.992 -3.315 -6.754 1.00 0.00 C ATOM 809 C VAL A 52 -9.095 -4.142 -6.060 1.00 0.00 C ATOM 810 O VAL A 52 -10.271 -3.771 -6.111 1.00 0.00 O ATOM 811 CB VAL A 52 -7.596 -2.076 -5.907 1.00 0.00 C ATOM 812 CG1 VAL A 52 -8.414 -1.982 -4.605 1.00 0.00 C ATOM 813 CG2 VAL A 52 -6.105 -2.075 -5.526 1.00 0.00 C ATOM 0 H VAL A 52 -9.113 -2.118 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.112 -3.951 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.809 -1.218 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.104 -1.101 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.474 -1.904 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.243 -2.874 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.881 -1.187 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.878 -2.967 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.498 -2.070 -6.431 1.00 0.00 H new ATOM 823 N SER A 53 -8.721 -5.260 -5.408 1.00 0.00 N ATOM 824 CA SER A 53 -9.601 -6.097 -4.579 1.00 0.00 C ATOM 825 C SER A 53 -8.911 -6.525 -3.264 1.00 0.00 C ATOM 826 O SER A 53 -7.684 -6.516 -3.176 1.00 0.00 O ATOM 827 CB SER A 53 -10.068 -7.325 -5.381 1.00 0.00 C ATOM 828 OG SER A 53 -9.185 -8.419 -5.220 1.00 0.00 O ATOM 0 H SER A 53 -7.765 -5.615 -5.447 1.00 0.00 H new ATOM 0 HA SER A 53 -10.473 -5.503 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.068 -7.613 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.138 -7.065 -6.437 1.00 0.00 H new ATOM 0 HG SER A 53 -9.511 -9.182 -5.741 1.00 0.00 H new ATOM 834 N PHE A 54 -9.725 -6.869 -2.242 1.00 0.00 N ATOM 835 CA PHE A 54 -9.344 -6.923 -0.823 1.00 0.00 C ATOM 836 C PHE A 54 -9.439 -8.354 -0.243 1.00 0.00 C ATOM 837 O PHE A 54 -10.420 -9.069 -0.451 1.00 0.00 O ATOM 838 CB PHE A 54 -10.238 -5.964 -0.008 1.00 0.00 C ATOM 839 CG PHE A 54 -10.289 -4.538 -0.538 1.00 0.00 C ATOM 840 CD1 PHE A 54 -11.226 -4.189 -1.539 1.00 0.00 C ATOM 841 CD2 PHE A 54 -9.373 -3.566 -0.068 1.00 0.00 C ATOM 842 CE1 PHE A 54 -11.183 -2.909 -2.132 1.00 0.00 C ATOM 843 CE2 PHE A 54 -9.312 -2.297 -0.683 1.00 0.00 C ATOM 844 CZ PHE A 54 -10.233 -1.961 -1.698 1.00 0.00 C ATOM 0 H PHE A 54 -10.701 -7.125 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.301 -6.613 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.251 -6.365 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.880 -5.942 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.975 -4.903 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.721 -3.796 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.878 -2.655 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.561 -1.584 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.210 -0.977 -2.143 1.00 0.00 H new ATOM 854 N TYR A 55 -8.398 -8.765 0.505 1.00 0.00 N ATOM 855 CA TYR A 55 -8.214 -10.034 1.215 1.00 0.00 C ATOM 856 C TYR A 55 -8.084 -9.820 2.746 1.00 0.00 C ATOM 857 O TYR A 55 -8.181 -8.705 3.255 1.00 0.00 O ATOM 858 CB TYR A 55 -6.939 -10.741 0.696 1.00 0.00 C ATOM 859 CG TYR A 55 -6.926 -11.055 -0.792 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.586 -12.204 -1.283 1.00 0.00 C ATOM 861 CD2 TYR A 55 -6.273 -10.187 -1.699 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.627 -12.463 -2.670 1.00 0.00 C ATOM 863 CE2 TYR A 55 -6.275 -10.470 -3.081 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.960 -11.604 -3.569 1.00 0.00 C ATOM 865 OH TYR A 55 -6.980 -11.871 -4.908 1.00 0.00 O ATOM 0 H TYR A 55 -7.591 -8.155 0.637 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.094 -10.649 1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.078 -10.114 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.811 -11.672 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.061 -12.887 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.771 -9.304 -1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.169 -13.319 -3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.752 -9.819 -3.766 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.264 -12.798 -5.053 1.00 0.00 H new ATOM 875 N ALA A 56 -7.857 -10.947 3.466 1.00 0.00 N ATOM 876 CA ALA A 56 -7.545 -11.012 4.898 1.00 0.00 C ATOM 877 C ALA A 56 -6.032 -10.832 5.155 1.00 0.00 C ATOM 878 O ALA A 56 -5.638 -10.272 6.180 1.00 0.00 O ATOM 879 CB ALA A 56 -8.031 -12.351 5.476 1.00 0.00 C ATOM 0 H ALA A 56 -7.890 -11.871 3.036 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.064 -10.194 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.797 -12.394 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.109 -12.437 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.532 -13.172 4.961 1.00 0.00 H new ATOM 885 N ASN A 57 -5.192 -11.320 4.223 1.00 0.00 N ATOM 886 CA ASN A 57 -3.724 -11.275 4.266 1.00 0.00 C ATOM 887 C ASN A 57 -3.119 -11.532 2.867 1.00 0.00 C ATOM 888 O ASN A 57 -3.852 -11.752 1.903 1.00 0.00 O ATOM 889 CB ASN A 57 -3.193 -12.325 5.266 1.00 0.00 C ATOM 890 CG ASN A 57 -3.507 -13.768 4.854 1.00 0.00 C ATOM 891 OD1 ASN A 57 -2.663 -14.453 4.279 1.00 0.00 O ATOM 892 ND2 ASN A 57 -4.724 -14.235 5.142 1.00 0.00 N ATOM 0 H ASN A 57 -5.539 -11.778 3.380 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.424 -10.279 4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.114 -12.209 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.625 -12.133 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.979 -15.188 4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.399 -13.638 5.620 1.00 0.00 H new ATOM 899 N ALA A 58 -1.774 -11.488 2.775 1.00 0.00 N ATOM 900 CA ALA A 58 -0.996 -11.498 1.529 1.00 0.00 C ATOM 901 C ALA A 58 -0.695 -12.937 1.053 1.00 0.00 C ATOM 902 O ALA A 58 -0.245 -13.130 -0.077 1.00 0.00 O ATOM 903 CB ALA A 58 0.312 -10.715 1.730 1.00 0.00 C ATOM 0 H ALA A 58 -1.180 -11.443 3.603 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.592 -11.018 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.887 -10.724 0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.081 -9.686 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.896 -11.180 2.524 1.00 0.00 H new ATOM 909 N SER A 59 -0.965 -13.940 1.909 1.00 0.00 N ATOM 910 CA SER A 59 -1.058 -15.368 1.562 1.00 0.00 C ATOM 911 C SER A 59 -2.330 -15.677 0.743 1.00 0.00 C ATOM 912 O SER A 59 -2.292 -16.507 -0.167 1.00 0.00 O ATOM 913 CB SER A 59 -0.995 -16.231 2.837 1.00 0.00 C ATOM 914 OG SER A 59 0.336 -16.556 3.186 1.00 0.00 O ATOM 0 H SER A 59 -1.131 -13.769 2.901 1.00 0.00 H new ATOM 0 HA SER A 59 -0.205 -15.616 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.467 -15.696 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.565 -17.148 2.684 1.00 0.00 H new ATOM 0 HG SER A 59 0.337 -17.102 4.000 1.00 0.00 H new ATOM 920 N GLU A 60 -3.442 -14.990 1.057 1.00 0.00 N ATOM 921 CA GLU A 60 -4.663 -14.895 0.235 1.00 0.00 C ATOM 922 C GLU A 60 -4.357 -14.157 -1.086 1.00 0.00 C ATOM 923 O GLU A 60 -4.785 -14.566 -2.165 1.00 0.00 O ATOM 924 CB GLU A 60 -5.785 -14.187 1.024 1.00 0.00 C ATOM 925 CG GLU A 60 -6.946 -15.137 1.378 1.00 0.00 C ATOM 926 CD GLU A 60 -8.122 -14.460 2.091 1.00 0.00 C ATOM 927 OE1 GLU A 60 -8.845 -13.718 1.390 1.00 0.00 O ATOM 928 OE2 GLU A 60 -8.290 -14.689 3.309 1.00 0.00 O ATOM 0 H GLU A 60 -3.519 -14.463 1.927 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.008 -15.900 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.371 -13.767 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.168 -13.353 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.311 -15.602 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.564 -15.937 2.012 1.00 0.00 H new ATOM 935 N ALA A 61 -3.574 -13.056 -0.981 1.00 0.00 N ATOM 936 CA ALA A 61 -3.085 -12.257 -2.112 1.00 0.00 C ATOM 937 C ALA A 61 -2.098 -13.079 -2.975 1.00 0.00 C ATOM 938 O ALA A 61 -2.050 -12.919 -4.195 1.00 0.00 O ATOM 939 CB ALA A 61 -2.417 -10.972 -1.598 1.00 0.00 C ATOM 0 H ALA A 61 -3.261 -12.696 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.933 -11.983 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.057 -10.386 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.142 -10.386 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.577 -11.231 -0.953 1.00 0.00 H new ATOM 945 N LEU A 62 -1.335 -13.978 -2.324 1.00 0.00 N ATOM 946 CA LEU A 62 -0.515 -15.038 -2.933 1.00 0.00 C ATOM 947 C LEU A 62 -1.411 -16.142 -3.534 1.00 0.00 C ATOM 948 O LEU A 62 -1.125 -16.669 -4.609 1.00 0.00 O ATOM 949 CB LEU A 62 0.427 -15.644 -1.871 1.00 0.00 C ATOM 950 CG LEU A 62 1.925 -15.307 -2.040 1.00 0.00 C ATOM 951 CD1 LEU A 62 2.701 -15.825 -0.818 1.00 0.00 C ATOM 952 CD2 LEU A 62 2.526 -15.927 -3.312 1.00 0.00 C ATOM 0 H LEU A 62 -1.272 -13.983 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 62 0.079 -14.601 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.105 -15.302 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.313 -16.728 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 62 2.009 -14.224 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.759 -15.590 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.319 -15.348 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.576 -16.905 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.580 -15.660 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.428 -17.012 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.996 -15.549 -4.186 1.00 0.00 H new ATOM 964 N ALA A 63 -2.508 -16.479 -2.822 1.00 0.00 N ATOM 965 CA ALA A 63 -3.619 -17.320 -3.287 1.00 0.00 C ATOM 966 C ALA A 63 -4.299 -16.706 -4.530 1.00 0.00 C ATOM 967 O ALA A 63 -5.035 -17.392 -5.240 1.00 0.00 O ATOM 968 CB ALA A 63 -4.642 -17.514 -2.156 1.00 0.00 C ATOM 0 H ALA A 63 -2.644 -16.155 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.216 -18.292 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.462 -18.139 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.158 -17.997 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.032 -16.544 -1.848 1.00 0.00 H new ATOM 974 N ALA A 64 -4.061 -15.403 -4.775 1.00 0.00 N ATOM 975 CA ALA A 64 -4.463 -14.672 -5.987 1.00 0.00 C ATOM 976 C ALA A 64 -3.472 -14.902 -7.148 1.00 0.00 C ATOM 977 O ALA A 64 -3.820 -14.721 -8.315 1.00 0.00 O ATOM 978 CB ALA A 64 -4.582 -13.171 -5.671 1.00 0.00 C ATOM 0 H ALA A 64 -3.565 -14.811 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.432 -15.054 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.880 -12.632 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.331 -13.021 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.619 -12.795 -5.325 1.00 0.00 H new ATOM 984 N GLY A 65 -2.230 -15.322 -6.817 1.00 0.00 N ATOM 985 CA GLY A 65 -1.106 -15.433 -7.756 1.00 0.00 C ATOM 986 C GLY A 65 -0.005 -14.374 -7.515 1.00 0.00 C ATOM 987 O GLY A 65 1.120 -14.517 -7.995 1.00 0.00 O ATOM 0 H GLY A 65 -1.983 -15.598 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.669 -16.428 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.481 -15.333 -8.775 1.00 0.00 H new ATOM 991 N PHE A 66 -0.364 -13.293 -6.794 1.00 0.00 N ATOM 992 CA PHE A 66 0.342 -12.005 -6.757 1.00 0.00 C ATOM 993 C PHE A 66 1.564 -12.060 -5.815 1.00 0.00 C ATOM 994 O PHE A 66 1.762 -13.047 -5.105 1.00 0.00 O ATOM 995 CB PHE A 66 -0.623 -10.886 -6.309 1.00 0.00 C ATOM 996 CG PHE A 66 -1.888 -10.718 -7.140 1.00 0.00 C ATOM 997 CD1 PHE A 66 -2.377 -11.778 -7.936 1.00 0.00 C ATOM 998 CD2 PHE A 66 -2.603 -9.494 -7.098 1.00 0.00 C ATOM 999 CE1 PHE A 66 -3.591 -11.638 -8.642 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -3.826 -9.362 -7.789 1.00 0.00 C ATOM 1001 CZ PHE A 66 -4.311 -10.427 -8.576 1.00 0.00 C ATOM 0 H PHE A 66 -1.191 -13.298 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 66 0.703 -11.789 -7.763 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.914 -11.078 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.080 -9.941 -6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.819 -12.700 -8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.210 -8.660 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.969 -12.459 -9.233 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.391 -8.445 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.233 -10.315 -9.128 1.00 0.00 H new ATOM 1011 N ARG A 67 2.391 -10.994 -5.827 1.00 0.00 N ATOM 1012 CA ARG A 67 3.705 -10.904 -5.177 1.00 0.00 C ATOM 1013 C ARG A 67 3.797 -9.658 -4.260 1.00 0.00 C ATOM 1014 O ARG A 67 3.095 -8.677 -4.518 1.00 0.00 O ATOM 1015 CB ARG A 67 4.806 -10.859 -6.262 1.00 0.00 C ATOM 1016 CG ARG A 67 5.436 -12.233 -6.513 1.00 0.00 C ATOM 1017 CD ARG A 67 6.795 -12.435 -5.834 1.00 0.00 C ATOM 1018 NE ARG A 67 7.685 -11.312 -6.168 1.00 0.00 N ATOM 1019 CZ ARG A 67 8.746 -11.349 -6.989 1.00 0.00 C ATOM 1020 NH1 ARG A 67 9.103 -12.479 -7.619 1.00 0.00 N ATOM 1021 NH2 ARG A 67 9.458 -10.229 -7.177 1.00 0.00 N ATOM 0 H ARG A 67 2.144 -10.133 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 67 3.845 -11.783 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.380 -10.482 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.582 -10.156 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.750 -13.004 -6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.555 -12.375 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.667 -12.502 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.240 -13.375 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 67 7.474 -10.415 -5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.564 -13.333 -7.478 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.913 -12.483 -8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.190 -9.368 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.268 -10.237 -7.797 1.00 0.00 H new ATOM 1035 N PRO A 68 4.620 -9.665 -3.184 1.00 0.00 N ATOM 1036 CA PRO A 68 4.774 -8.540 -2.245 1.00 0.00 C ATOM 1037 C PRO A 68 5.309 -7.231 -2.868 1.00 0.00 C ATOM 1038 O PRO A 68 6.347 -7.237 -3.532 1.00 0.00 O ATOM 1039 CB PRO A 68 5.699 -9.050 -1.125 1.00 0.00 C ATOM 1040 CG PRO A 68 6.483 -10.185 -1.788 1.00 0.00 C ATOM 1041 CD PRO A 68 5.443 -10.780 -2.728 1.00 0.00 C ATOM 0 HA PRO A 68 3.789 -8.250 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.362 -8.263 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.129 -9.406 -0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.357 -9.817 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.840 -10.914 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.921 -11.281 -3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.837 -11.527 -2.215 1.00 0.00 H new ATOM 1049 N CYS A 69 4.593 -6.113 -2.644 1.00 0.00 N ATOM 1050 CA CYS A 69 4.946 -4.743 -3.046 1.00 0.00 C ATOM 1051 C CYS A 69 6.300 -4.324 -2.436 1.00 0.00 C ATOM 1052 O CYS A 69 6.655 -4.782 -1.345 1.00 0.00 O ATOM 1053 CB CYS A 69 3.791 -3.800 -2.638 1.00 0.00 C ATOM 1054 SG CYS A 69 4.077 -2.046 -3.062 1.00 0.00 S ATOM 0 H CYS A 69 3.702 -6.146 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 69 5.073 -4.685 -4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.874 -4.135 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.632 -3.882 -1.563 1.00 0.00 H new ATOM 0 HG CYS A 69 3.693 -1.293 -2.075 1.00 0.00 H new ATOM 1059 N LYS A 70 7.065 -3.464 -3.136 1.00 0.00 N ATOM 1060 CA LYS A 70 8.441 -3.077 -2.794 1.00 0.00 C ATOM 1061 C LYS A 70 8.457 -2.019 -1.668 1.00 0.00 C ATOM 1062 O LYS A 70 9.524 -1.500 -1.328 1.00 0.00 O ATOM 1063 CB LYS A 70 9.162 -2.564 -4.060 1.00 0.00 C ATOM 1064 CG LYS A 70 10.671 -2.865 -4.043 1.00 0.00 C ATOM 1065 CD LYS A 70 11.446 -2.049 -5.087 1.00 0.00 C ATOM 1066 CE LYS A 70 12.938 -2.409 -5.028 1.00 0.00 C ATOM 1067 NZ LYS A 70 13.266 -3.547 -5.903 1.00 0.00 N ATOM 0 H LYS A 70 6.728 -3.006 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 70 8.973 -3.951 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.713 -3.023 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.011 -1.488 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.069 -2.652 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.828 -3.928 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.053 -2.250 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.312 -0.983 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.532 -1.543 -5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.212 -2.650 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.282 -3.757 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.719 -4.381 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.029 -3.308 -6.887 1.00 0.00 H new ATOM 1081 N ARG A 71 7.282 -1.685 -1.105 1.00 0.00 N ATOM 1082 CA ARG A 71 7.015 -0.494 -0.281 1.00 0.00 C ATOM 1083 C ARG A 71 6.304 -0.878 1.034 1.00 0.00 C ATOM 1084 O ARG A 71 6.668 -0.391 2.105 1.00 0.00 O ATOM 1085 CB ARG A 71 6.172 0.498 -1.112 1.00 0.00 C ATOM 1086 CG ARG A 71 6.642 1.953 -0.979 1.00 0.00 C ATOM 1087 CD ARG A 71 5.858 2.719 0.093 1.00 0.00 C ATOM 1088 NE ARG A 71 5.925 4.169 -0.145 1.00 0.00 N ATOM 1089 CZ ARG A 71 7.049 4.905 -0.223 1.00 0.00 C ATOM 1090 NH1 ARG A 71 8.253 4.376 0.046 1.00 0.00 N ATOM 1091 NH2 ARG A 71 6.964 6.196 -0.574 1.00 0.00 N ATOM 0 H ARG A 71 6.452 -2.268 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 71 7.956 -0.021 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.209 0.206 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.130 0.430 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.703 1.969 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.531 2.458 -1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.818 2.394 0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.262 2.489 1.079 1.00 0.00 H new ATOM 0 HE ARG A 71 5.039 4.661 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.330 3.396 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.091 4.954 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.055 6.610 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.809 6.764 -0.637 1.00 0.00 H new ATOM 1105 N CYS A 72 5.271 -1.742 0.942 1.00 0.00 N ATOM 1106 CA CYS A 72 4.254 -1.990 1.975 1.00 0.00 C ATOM 1107 C CYS A 72 4.475 -3.350 2.670 1.00 0.00 C ATOM 1108 O CYS A 72 4.577 -3.407 3.899 1.00 0.00 O ATOM 1109 CB CYS A 72 2.853 -1.888 1.335 1.00 0.00 C ATOM 1110 SG CYS A 72 2.739 -0.422 0.259 1.00 0.00 S ATOM 0 H CYS A 72 5.120 -2.309 0.107 1.00 0.00 H new ATOM 0 HA CYS A 72 4.339 -1.233 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.647 -2.787 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.095 -1.832 2.116 1.00 0.00 H new ATOM 0 HG CYS A 72 1.794 -0.598 -0.616 1.00 0.00 H new ATOM 1115 N GLN A 73 4.569 -4.443 1.889 1.00 0.00 N ATOM 1116 CA GLN A 73 5.020 -5.768 2.341 1.00 0.00 C ATOM 1117 C GLN A 73 6.552 -5.759 2.583 1.00 0.00 C ATOM 1118 O GLN A 73 7.290 -5.305 1.707 1.00 0.00 O ATOM 1119 CB GLN A 73 4.629 -6.797 1.260 1.00 0.00 C ATOM 1120 CG GLN A 73 3.763 -7.961 1.784 1.00 0.00 C ATOM 1121 CD GLN A 73 2.615 -7.541 2.713 1.00 0.00 C ATOM 1122 OE1 GLN A 73 2.703 -7.755 3.920 1.00 0.00 O ATOM 1123 NE2 GLN A 73 1.541 -6.945 2.182 1.00 0.00 N ATOM 0 H GLN A 73 4.326 -4.425 0.899 1.00 0.00 H new ATOM 0 HA GLN A 73 4.546 -6.034 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.088 -6.285 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.537 -7.205 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.345 -8.497 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.405 -8.662 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.494 -6.780 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.769 -6.656 2.783 1.00 0.00 H new