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 -149:sc= -0.304 USER MOD Set 1.2: A 42 CYS SG : rot 68:sc= 1.02 USER MOD Set 1.3: A 69 CYS SG : rot 164:sc= -0.187 USER MOD Set 1.4: A 72 CYS SG : rot -140:sc= -0.74 USER MOD Set 2.1: A 57 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6.9!) USER MOD Set 2.2: A 59 SER OG : rot 100:sc= 0.00264 USER MOD Set 3.1: A 11 GLN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Set 3.2: A 14 GLN : amide:sc= -0.148 K(o=-11,f=-11!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.65) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.432 USER MOD Single : A 41 SER OG : rot 170:sc= -0.581 USER MOD Single : A 46 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.2) 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 30:sc= -0.956 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 2.006 6.944 16.408 1.00 0.00 N ATOM 132 CA ASP A 9 2.817 6.437 15.291 1.00 0.00 C ATOM 133 C ASP A 9 3.138 4.937 15.463 1.00 0.00 C ATOM 134 O ASP A 9 3.206 4.199 14.477 1.00 0.00 O ATOM 135 CB ASP A 9 4.105 7.275 15.165 1.00 0.00 C ATOM 136 CG ASP A 9 3.856 8.783 15.301 1.00 0.00 C ATOM 137 OD1 ASP A 9 3.261 9.353 14.360 1.00 0.00 O ATOM 138 OD2 ASP A 9 4.259 9.343 16.345 1.00 0.00 O ATOM 0 HA ASP A 9 2.243 6.534 14.370 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.814 6.959 15.931 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.569 7.075 14.199 1.00 0.00 H new ATOM 143 N ASP A 10 3.315 4.482 16.719 1.00 0.00 N ATOM 144 CA ASP A 10 3.298 3.069 17.127 1.00 0.00 C ATOM 145 C ASP A 10 2.180 2.290 16.402 1.00 0.00 C ATOM 146 O ASP A 10 2.450 1.434 15.551 1.00 0.00 O ATOM 147 CB ASP A 10 3.143 2.990 18.663 1.00 0.00 C ATOM 148 CG ASP A 10 4.480 2.880 19.404 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.503 3.271 18.801 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.459 2.412 20.564 1.00 0.00 O ATOM 0 H ASP A 10 3.479 5.113 17.503 1.00 0.00 H new ATOM 0 HA ASP A 10 4.240 2.600 16.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.613 3.876 19.013 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.524 2.129 18.915 1.00 0.00 H new ATOM 155 N GLN A 11 0.912 2.575 16.750 1.00 0.00 N ATOM 156 CA GLN A 11 -0.280 1.811 16.348 1.00 0.00 C ATOM 157 C GLN A 11 -0.612 2.076 14.863 1.00 0.00 C ATOM 158 O GLN A 11 -1.180 1.217 14.191 1.00 0.00 O ATOM 159 CB GLN A 11 -1.452 2.215 17.266 1.00 0.00 C ATOM 160 CG GLN A 11 -2.258 1.072 17.905 1.00 0.00 C ATOM 161 CD GLN A 11 -2.027 -0.342 17.355 1.00 0.00 C ATOM 162 OE1 GLN A 11 -1.324 -1.131 17.985 1.00 0.00 O ATOM 163 NE2 GLN A 11 -2.619 -0.685 16.207 1.00 0.00 N ATOM 0 H GLN A 11 0.682 3.374 17.341 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.095 0.742 16.453 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.057 2.841 18.066 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.139 2.833 16.688 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.038 1.059 18.973 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.317 1.306 17.801 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.196 -0.008 15.708 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.494 -1.624 15.829 1.00 0.00 H new ATOM 172 N ARG A 12 -0.280 3.283 14.361 1.00 0.00 N ATOM 173 CA ARG A 12 -0.201 3.605 12.926 1.00 0.00 C ATOM 174 C ARG A 12 0.461 2.442 12.152 1.00 0.00 C ATOM 175 O ARG A 12 -0.118 1.800 11.278 1.00 0.00 O ATOM 176 CB ARG A 12 0.596 4.910 12.741 1.00 0.00 C ATOM 177 CG ARG A 12 -0.269 6.173 12.636 1.00 0.00 C ATOM 178 CD ARG A 12 -1.411 6.187 13.659 1.00 0.00 C ATOM 179 NE ARG A 12 -2.719 6.203 12.986 1.00 0.00 N ATOM 180 CZ ARG A 12 -3.173 7.169 12.167 1.00 0.00 C ATOM 181 NH1 ARG A 12 -2.490 8.310 11.987 1.00 0.00 N ATOM 182 NH2 ARG A 12 -4.332 6.986 11.517 1.00 0.00 N ATOM 0 H ARG A 12 -0.054 4.078 14.959 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.206 3.744 12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.283 5.024 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.204 4.825 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.358 7.052 12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.685 6.243 11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.339 5.310 14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.318 7.062 14.302 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.338 5.410 13.156 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.607 8.459 12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.854 9.029 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.858 6.122 11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.687 7.711 10.893 1.00 0.00 H new ATOM 196 N TRP A 13 1.735 2.153 12.542 1.00 0.00 N ATOM 197 CA TRP A 13 2.513 1.037 11.999 1.00 0.00 C ATOM 198 C TRP A 13 1.971 -0.329 12.465 1.00 0.00 C ATOM 199 O TRP A 13 2.308 -1.351 11.847 1.00 0.00 O ATOM 200 CB TRP A 13 4.014 1.172 12.354 1.00 0.00 C ATOM 201 CG TRP A 13 4.908 0.383 11.432 1.00 0.00 C ATOM 202 CD1 TRP A 13 5.731 -0.634 11.777 1.00 0.00 C ATOM 203 CD2 TRP A 13 4.998 0.492 9.976 1.00 0.00 C ATOM 204 NE1 TRP A 13 6.309 -1.177 10.649 1.00 0.00 N ATOM 205 CE2 TRP A 13 5.887 -0.529 9.506 1.00 0.00 C ATOM 206 CE3 TRP A 13 4.415 1.338 9.001 1.00 0.00 C ATOM 207 CZ2 TRP A 13 6.148 -0.720 8.137 1.00 0.00 C ATOM 208 CZ3 TRP A 13 4.738 1.208 7.629 1.00 0.00 C ATOM 209 CH2 TRP A 13 5.606 0.183 7.199 1.00 0.00 C ATOM 0 H TRP A 13 2.238 2.697 13.243 1.00 0.00 H new ATOM 0 HA TRP A 13 2.409 1.081 10.915 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.298 2.224 12.315 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.171 0.837 13.379 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.909 -0.971 12.788 1.00 0.00 H new ATOM 0 HE1 TRP A 13 6.965 -1.958 10.658 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.711 2.096 9.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.757 -1.549 7.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.319 1.896 6.910 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.855 0.090 6.152 1.00 0.00 H new ATOM 220 N GLN A 14 1.129 -0.371 13.521 1.00 0.00 N ATOM 221 CA GLN A 14 0.453 -1.611 13.957 1.00 0.00 C ATOM 222 C GLN A 14 -0.667 -1.992 12.965 1.00 0.00 C ATOM 223 O GLN A 14 -0.674 -3.113 12.444 1.00 0.00 O ATOM 224 CB GLN A 14 -0.076 -1.446 15.398 1.00 0.00 C ATOM 225 CG GLN A 14 0.075 -2.734 16.242 1.00 0.00 C ATOM 226 CD GLN A 14 -1.055 -3.759 16.070 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.293 -4.222 14.955 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.755 -4.135 17.145 1.00 0.00 N ATOM 0 H GLN A 14 0.901 0.445 14.089 1.00 0.00 H new ATOM 0 HA GLN A 14 1.170 -2.432 13.962 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.460 -0.632 15.886 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.127 -1.160 15.364 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.020 -3.211 15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.136 -2.456 17.294 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.539 -3.737 18.059 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.505 -4.820 17.051 1.00 0.00 H new ATOM 237 N SER A 15 -1.600 -1.064 12.681 1.00 0.00 N ATOM 238 CA SER A 15 -2.610 -1.174 11.611 1.00 0.00 C ATOM 239 C SER A 15 -1.994 -1.467 10.219 1.00 0.00 C ATOM 240 O SER A 15 -2.610 -2.136 9.389 1.00 0.00 O ATOM 241 CB SER A 15 -3.471 0.102 11.570 1.00 0.00 C ATOM 242 OG SER A 15 -4.441 0.116 12.598 1.00 0.00 O ATOM 0 H SER A 15 -1.674 -0.192 13.205 1.00 0.00 H new ATOM 0 HA SER A 15 -3.238 -2.032 11.851 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.828 0.977 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.967 0.175 10.602 1.00 0.00 H new ATOM 0 HG SER A 15 -4.966 0.941 12.541 1.00 0.00 H new ATOM 248 N VAL A 16 -0.760 -0.965 9.995 1.00 0.00 N ATOM 249 CA VAL A 16 -0.013 -1.049 8.732 1.00 0.00 C ATOM 250 C VAL A 16 0.820 -2.348 8.674 1.00 0.00 C ATOM 251 O VAL A 16 0.991 -2.917 7.587 1.00 0.00 O ATOM 252 CB VAL A 16 0.887 0.204 8.562 1.00 0.00 C ATOM 253 CG1 VAL A 16 2.045 -0.043 7.574 1.00 0.00 C ATOM 254 CG2 VAL A 16 0.099 1.430 8.065 1.00 0.00 C ATOM 0 H VAL A 16 -0.241 -0.472 10.721 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.723 -1.076 7.905 1.00 0.00 H new ATOM 0 HB VAL A 16 1.284 0.404 9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.648 0.861 7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.667 -0.860 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.640 -0.305 6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.774 2.280 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.351 1.206 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.685 1.674 8.782 1.00 0.00 H new ATOM 264 N LEU A 17 1.354 -2.819 9.816 1.00 0.00 N ATOM 265 CA LEU A 17 2.049 -4.107 9.961 1.00 0.00 C ATOM 266 C LEU A 17 1.057 -5.285 9.835 1.00 0.00 C ATOM 267 O LEU A 17 1.379 -6.313 9.237 1.00 0.00 O ATOM 268 CB LEU A 17 2.760 -4.179 11.329 1.00 0.00 C ATOM 269 CG LEU A 17 4.212 -3.654 11.352 1.00 0.00 C ATOM 270 CD1 LEU A 17 4.948 -4.264 12.556 1.00 0.00 C ATOM 271 CD2 LEU A 17 4.981 -4.002 10.068 1.00 0.00 C ATOM 0 H LEU A 17 1.311 -2.295 10.690 1.00 0.00 H new ATOM 0 HA LEU A 17 2.788 -4.182 9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.175 -3.611 12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.762 -5.216 11.664 1.00 0.00 H new ATOM 0 HG LEU A 17 4.168 -2.568 11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.974 -3.898 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.440 -3.977 13.477 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.952 -5.350 12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.996 -3.611 10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.017 -5.085 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.476 -3.558 9.210 1.00 0.00 H new ATOM 283 N ALA A 18 -0.158 -5.113 10.390 1.00 0.00 N ATOM 284 CA ALA A 18 -1.308 -6.012 10.225 1.00 0.00 C ATOM 285 C ALA A 18 -1.649 -6.181 8.725 1.00 0.00 C ATOM 286 O ALA A 18 -2.331 -7.128 8.334 1.00 0.00 O ATOM 287 CB ALA A 18 -2.521 -5.471 10.999 1.00 0.00 C ATOM 0 H ALA A 18 -0.370 -4.313 10.987 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.049 -6.990 10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.367 -6.146 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.274 -5.399 12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.784 -4.483 10.620 1.00 0.00 H new ATOM 293 N ARG A 19 -1.168 -5.226 7.898 1.00 0.00 N ATOM 294 CA ARG A 19 -1.346 -5.202 6.440 1.00 0.00 C ATOM 295 C ARG A 19 -2.844 -5.056 6.075 1.00 0.00 C ATOM 296 O ARG A 19 -3.282 -5.482 5.007 1.00 0.00 O ATOM 297 CB ARG A 19 -0.700 -6.452 5.809 1.00 0.00 C ATOM 298 CG ARG A 19 -0.480 -6.332 4.291 1.00 0.00 C ATOM 299 CD ARG A 19 -0.065 -7.684 3.694 1.00 0.00 C ATOM 300 NE ARG A 19 1.347 -7.987 3.971 1.00 0.00 N ATOM 301 CZ ARG A 19 1.802 -9.068 4.634 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.961 -9.995 5.122 1.00 0.00 N ATOM 303 NH2 ARG A 19 3.121 -9.224 4.813 1.00 0.00 N ATOM 0 H ARG A 19 -0.631 -4.430 8.243 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.838 -4.331 6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.259 -6.639 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.332 -7.317 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.395 -5.983 3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.290 -5.588 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.695 -8.473 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.231 -7.673 2.617 1.00 0.00 H new ATOM 0 HE ARG A 19 2.042 -7.322 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.045 -9.889 4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.329 -10.805 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.771 -8.528 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.475 -10.039 5.314 1.00 0.00 H new ATOM 317 N ASP A 20 -3.624 -4.461 7.004 1.00 0.00 N ATOM 318 CA ASP A 20 -5.091 -4.484 7.048 1.00 0.00 C ATOM 319 C ASP A 20 -5.692 -3.719 5.842 1.00 0.00 C ATOM 320 O ASP A 20 -5.741 -2.488 5.880 1.00 0.00 O ATOM 321 CB ASP A 20 -5.569 -3.887 8.391 1.00 0.00 C ATOM 322 CG ASP A 20 -7.087 -3.687 8.465 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.567 -2.708 7.853 1.00 0.00 O ATOM 324 OD2 ASP A 20 -7.744 -4.512 9.138 1.00 0.00 O ATOM 0 H ASP A 20 -3.223 -3.929 7.776 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.439 -5.515 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.257 -4.544 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.076 -2.928 8.549 1.00 0.00 H new ATOM 329 N PRO A 21 -6.115 -4.404 4.751 1.00 0.00 N ATOM 330 CA PRO A 21 -6.449 -3.777 3.459 1.00 0.00 C ATOM 331 C PRO A 21 -7.634 -2.790 3.555 1.00 0.00 C ATOM 332 O PRO A 21 -7.885 -2.030 2.618 1.00 0.00 O ATOM 333 CB PRO A 21 -6.763 -4.927 2.489 1.00 0.00 C ATOM 334 CG PRO A 21 -6.116 -6.149 3.136 1.00 0.00 C ATOM 335 CD PRO A 21 -6.259 -5.850 4.629 1.00 0.00 C ATOM 0 HA PRO A 21 -5.610 -3.174 3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.838 -5.063 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.351 -4.736 1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.624 -7.072 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.072 -6.258 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.227 -6.181 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.497 -6.371 5.209 1.00 0.00 H new ATOM 343 N ASN A 22 -8.373 -2.819 4.681 1.00 0.00 N ATOM 344 CA ASN A 22 -9.667 -2.153 4.894 1.00 0.00 C ATOM 345 C ASN A 22 -9.495 -0.849 5.702 1.00 0.00 C ATOM 346 O ASN A 22 -10.440 -0.366 6.328 1.00 0.00 O ATOM 347 CB ASN A 22 -10.624 -3.117 5.630 1.00 0.00 C ATOM 348 CG ASN A 22 -12.046 -2.568 5.800 1.00 0.00 C ATOM 349 OD1 ASN A 22 -12.703 -2.835 6.806 1.00 0.00 O ATOM 350 ND2 ASN A 22 -12.528 -1.795 4.824 1.00 0.00 N ATOM 0 H ASN A 22 -8.066 -3.334 5.506 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.089 -1.890 3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.671 -4.057 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.212 -3.343 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.468 -1.406 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.956 -1.594 4.004 1.00 0.00 H new ATOM 357 N ALA A 23 -8.280 -0.265 5.671 1.00 0.00 N ATOM 358 CA ALA A 23 -7.964 1.084 6.160 1.00 0.00 C ATOM 359 C ALA A 23 -7.514 2.001 4.998 1.00 0.00 C ATOM 360 O ALA A 23 -6.704 2.906 5.196 1.00 0.00 O ATOM 361 CB ALA A 23 -6.881 1.007 7.247 1.00 0.00 C ATOM 0 H ALA A 23 -7.463 -0.742 5.289 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.865 1.517 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.652 2.011 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.241 0.400 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.980 0.556 6.832 1.00 0.00 H new ATOM 367 N ASP A 24 -8.068 1.758 3.793 1.00 0.00 N ATOM 368 CA ASP A 24 -8.039 2.644 2.622 1.00 0.00 C ATOM 369 C ASP A 24 -8.258 4.125 3.027 1.00 0.00 C ATOM 370 O ASP A 24 -7.322 4.813 3.435 1.00 0.00 O ATOM 371 CB ASP A 24 -9.080 2.138 1.590 1.00 0.00 C ATOM 372 CG ASP A 24 -9.200 3.039 0.357 1.00 0.00 C ATOM 373 OD1 ASP A 24 -8.217 3.759 0.075 1.00 0.00 O ATOM 374 OD2 ASP A 24 -10.275 3.001 -0.283 1.00 0.00 O ATOM 0 H ASP A 24 -8.573 0.892 3.605 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.054 2.614 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.806 1.132 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.054 2.064 2.073 1.00 0.00 H new ATOM 379 N GLY A 25 -9.509 4.604 2.878 1.00 0.00 N ATOM 380 CA GLY A 25 -10.017 5.900 3.339 1.00 0.00 C ATOM 381 C GLY A 25 -9.440 6.344 4.700 1.00 0.00 C ATOM 382 O GLY A 25 -9.342 7.548 4.964 1.00 0.00 O ATOM 0 H GLY A 25 -10.230 4.060 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.785 6.658 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.103 5.849 3.414 1.00 0.00 H new ATOM 386 N GLU A 26 -9.076 5.387 5.574 1.00 0.00 N ATOM 387 CA GLU A 26 -8.712 5.605 6.983 1.00 0.00 C ATOM 388 C GLU A 26 -7.433 6.466 7.084 1.00 0.00 C ATOM 389 O GLU A 26 -7.318 7.324 7.958 1.00 0.00 O ATOM 390 CB GLU A 26 -8.529 4.245 7.689 1.00 0.00 C ATOM 391 CG GLU A 26 -9.076 4.245 9.129 1.00 0.00 C ATOM 392 CD GLU A 26 -8.960 2.894 9.846 1.00 0.00 C ATOM 393 OE1 GLU A 26 -7.837 2.608 10.317 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.978 2.170 9.919 1.00 0.00 O ATOM 0 H GLU A 26 -9.026 4.404 5.306 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.515 6.147 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.034 3.470 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.470 3.989 7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.542 4.998 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.124 4.543 9.108 1.00 0.00 H new ATOM 401 N PHE A 27 -6.476 6.225 6.159 1.00 0.00 N ATOM 402 CA PHE A 27 -5.218 6.971 6.021 1.00 0.00 C ATOM 403 C PHE A 27 -4.405 6.494 4.793 1.00 0.00 C ATOM 404 O PHE A 27 -4.817 5.600 4.055 1.00 0.00 O ATOM 405 CB PHE A 27 -4.356 6.830 7.294 1.00 0.00 C ATOM 406 CG PHE A 27 -4.074 5.410 7.771 1.00 0.00 C ATOM 407 CD1 PHE A 27 -4.943 4.343 7.454 1.00 0.00 C ATOM 408 CD2 PHE A 27 -2.905 5.150 8.536 1.00 0.00 C ATOM 409 CE1 PHE A 27 -4.667 3.037 7.915 1.00 0.00 C ATOM 410 CE2 PHE A 27 -2.640 3.848 9.008 1.00 0.00 C ATOM 411 CZ PHE A 27 -3.506 2.786 8.674 1.00 0.00 C ATOM 0 H PHE A 27 -6.568 5.480 5.468 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.480 8.019 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.402 7.326 7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.850 7.369 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.823 4.527 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.217 5.953 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.346 2.229 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.773 3.664 9.626 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.280 1.781 8.999 1.00 0.00 H new ATOM 421 N VAL A 28 -3.209 7.098 4.609 1.00 0.00 N ATOM 422 CA VAL A 28 -2.096 6.614 3.783 1.00 0.00 C ATOM 423 C VAL A 28 -0.801 6.581 4.625 1.00 0.00 C ATOM 424 O VAL A 28 -0.800 7.035 5.772 1.00 0.00 O ATOM 425 CB VAL A 28 -1.926 7.506 2.524 1.00 0.00 C ATOM 426 CG1 VAL A 28 -3.277 7.787 1.835 1.00 0.00 C ATOM 427 CG2 VAL A 28 -1.256 8.854 2.841 1.00 0.00 C ATOM 0 H VAL A 28 -2.989 7.985 5.061 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.313 5.601 3.443 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.280 6.938 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.115 8.414 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.732 6.845 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.940 8.300 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.162 9.438 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.864 9.403 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.266 8.678 3.263 1.00 0.00 H new ATOM 437 N PHE A 29 0.305 6.065 4.051 1.00 0.00 N ATOM 438 CA PHE A 29 1.674 6.259 4.557 1.00 0.00 C ATOM 439 C PHE A 29 2.681 6.461 3.400 1.00 0.00 C ATOM 440 O PHE A 29 2.430 6.044 2.270 1.00 0.00 O ATOM 441 CB PHE A 29 2.101 5.064 5.433 1.00 0.00 C ATOM 442 CG PHE A 29 2.352 3.756 4.695 1.00 0.00 C ATOM 443 CD1 PHE A 29 1.299 3.107 4.007 1.00 0.00 C ATOM 444 CD2 PHE A 29 3.637 3.165 4.717 1.00 0.00 C ATOM 445 CE1 PHE A 29 1.502 1.829 3.447 1.00 0.00 C ATOM 446 CE2 PHE A 29 3.839 1.887 4.152 1.00 0.00 C ATOM 447 CZ PHE A 29 2.778 1.230 3.496 1.00 0.00 C ATOM 0 H PHE A 29 0.268 5.492 3.208 1.00 0.00 H new ATOM 0 HA PHE A 29 1.676 7.163 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.010 5.337 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.329 4.893 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.339 3.591 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.465 3.692 5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.679 1.308 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.807 1.413 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.942 0.269 3.031 1.00 0.00 H new ATOM 457 N ALA A 30 3.811 7.138 3.696 1.00 0.00 N ATOM 458 CA ALA A 30 4.712 7.784 2.731 1.00 0.00 C ATOM 459 C ALA A 30 6.192 7.443 3.014 1.00 0.00 C ATOM 460 O ALA A 30 6.763 7.952 3.985 1.00 0.00 O ATOM 461 CB ALA A 30 4.498 9.308 2.767 1.00 0.00 C ATOM 0 H ALA A 30 4.130 7.251 4.658 1.00 0.00 H new ATOM 0 HA ALA A 30 4.475 7.404 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.167 9.786 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.464 9.537 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.711 9.682 3.768 1.00 0.00 H new ATOM 467 N VAL A 31 6.826 6.611 2.165 1.00 0.00 N ATOM 468 CA VAL A 31 8.240 6.219 2.263 1.00 0.00 C ATOM 469 C VAL A 31 9.123 7.224 1.491 1.00 0.00 C ATOM 470 O VAL A 31 9.359 7.051 0.294 1.00 0.00 O ATOM 471 CB VAL A 31 8.436 4.774 1.731 1.00 0.00 C ATOM 472 CG1 VAL A 31 9.921 4.362 1.714 1.00 0.00 C ATOM 473 CG2 VAL A 31 7.670 3.731 2.565 1.00 0.00 C ATOM 0 H VAL A 31 6.352 6.182 1.370 1.00 0.00 H new ATOM 0 HA VAL A 31 8.543 6.235 3.310 1.00 0.00 H new ATOM 0 HB VAL A 31 8.041 4.790 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.012 3.344 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.480 5.041 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.323 4.409 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.841 2.737 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.022 3.760 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.604 3.956 2.539 1.00 0.00 H new ATOM 483 N ARG A 32 9.610 8.274 2.181 1.00 0.00 N ATOM 484 CA ARG A 32 10.290 9.438 1.596 1.00 0.00 C ATOM 485 C ARG A 32 11.439 9.003 0.660 1.00 0.00 C ATOM 486 O ARG A 32 11.844 9.765 -0.220 1.00 0.00 O ATOM 487 CB ARG A 32 10.804 10.349 2.730 1.00 0.00 C ATOM 488 CG ARG A 32 12.073 9.805 3.406 1.00 0.00 C ATOM 489 CD ARG A 32 12.243 10.365 4.825 1.00 0.00 C ATOM 490 NE ARG A 32 13.391 9.744 5.504 1.00 0.00 N ATOM 491 CZ ARG A 32 13.893 10.109 6.698 1.00 0.00 C ATOM 492 NH1 ARG A 32 13.368 11.129 7.396 1.00 0.00 N ATOM 493 NH2 ARG A 32 14.940 9.442 7.203 1.00 0.00 N ATOM 0 H ARG A 32 9.536 8.333 3.197 1.00 0.00 H new ATOM 0 HA ARG A 32 9.580 9.997 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.010 11.341 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.021 10.465 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.026 8.717 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.945 10.064 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.384 11.445 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.335 10.186 5.401 1.00 0.00 H new ATOM 0 HE ARG A 32 13.848 8.967 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.571 11.646 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.766 11.387 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.349 8.666 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.328 9.711 8.107 1.00 0.00 H new ATOM 507 N THR A 33 11.970 7.781 0.859 1.00 0.00 N ATOM 508 CA THR A 33 13.184 7.256 0.218 1.00 0.00 C ATOM 509 C THR A 33 12.943 6.997 -1.285 1.00 0.00 C ATOM 510 O THR A 33 13.819 7.271 -2.109 1.00 0.00 O ATOM 511 CB THR A 33 13.649 5.970 0.943 1.00 0.00 C ATOM 512 OG1 THR A 33 15.033 5.758 0.733 1.00 0.00 O ATOM 513 CG2 THR A 33 12.901 4.709 0.474 1.00 0.00 C ATOM 0 H THR A 33 11.545 7.108 1.497 1.00 0.00 H new ATOM 0 HA THR A 33 13.976 8.001 0.298 1.00 0.00 H new ATOM 0 HB THR A 33 13.430 6.128 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.313 4.942 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.272 3.842 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.834 4.827 0.663 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.066 4.564 -0.594 1.00 0.00 H new ATOM 521 N THR A 34 11.755 6.473 -1.642 1.00 0.00 N ATOM 522 CA THR A 34 11.236 6.385 -3.014 1.00 0.00 C ATOM 523 C THR A 34 10.224 7.516 -3.304 1.00 0.00 C ATOM 524 O THR A 34 9.716 7.618 -4.423 1.00 0.00 O ATOM 525 CB THR A 34 10.598 4.993 -3.246 1.00 0.00 C ATOM 526 OG1 THR A 34 10.331 4.798 -4.623 1.00 0.00 O ATOM 527 CG2 THR A 34 9.280 4.797 -2.477 1.00 0.00 C ATOM 0 H THR A 34 11.109 6.086 -0.955 1.00 0.00 H new ATOM 0 HA THR A 34 12.067 6.510 -3.708 1.00 0.00 H new ATOM 0 HB THR A 34 11.323 4.268 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.081 3.863 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.884 3.802 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.464 4.901 -1.408 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.557 5.548 -2.796 1.00 0.00 H new ATOM 535 N GLY A 35 9.950 8.367 -2.303 1.00 0.00 N ATOM 536 CA GLY A 35 8.949 9.478 -2.344 1.00 0.00 C ATOM 537 C GLY A 35 7.658 8.955 -3.007 1.00 0.00 C ATOM 538 O GLY A 35 6.965 9.659 -3.739 1.00 0.00 O ATOM 0 H GLY A 35 10.429 8.310 -1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.738 9.835 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.346 10.324 -2.905 1.00 0.00 H new ATOM 542 N ILE A 36 7.362 7.654 -2.736 1.00 0.00 N ATOM 543 CA ILE A 36 6.088 6.983 -3.018 1.00 0.00 C ATOM 544 C ILE A 36 5.174 7.050 -1.775 1.00 0.00 C ATOM 545 O ILE A 36 5.662 7.147 -0.647 1.00 0.00 O ATOM 546 CB ILE A 36 6.336 5.510 -3.450 1.00 0.00 C ATOM 547 CG1 ILE A 36 7.197 5.402 -4.731 1.00 0.00 C ATOM 548 CG2 ILE A 36 4.999 4.770 -3.659 1.00 0.00 C ATOM 549 CD1 ILE A 36 7.315 3.973 -5.279 1.00 0.00 C ATOM 0 H ILE A 36 8.040 7.030 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 36 5.589 7.494 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 36 6.892 5.040 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.767 6.042 -5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.196 5.784 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.196 3.741 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.432 4.773 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.423 5.272 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.933 3.978 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.773 3.331 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.323 3.594 -5.523 1.00 0.00 H new ATOM 561 N PHE A 37 3.844 6.975 -1.983 1.00 0.00 N ATOM 562 CA PHE A 37 2.828 6.782 -0.938 1.00 0.00 C ATOM 563 C PHE A 37 1.918 5.574 -1.262 1.00 0.00 C ATOM 564 O PHE A 37 1.776 5.181 -2.421 1.00 0.00 O ATOM 565 CB PHE A 37 1.985 8.064 -0.776 1.00 0.00 C ATOM 566 CG PHE A 37 1.188 8.490 -2.002 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.163 7.656 -2.511 1.00 0.00 C ATOM 568 CD2 PHE A 37 1.444 9.734 -2.622 1.00 0.00 C ATOM 569 CE1 PHE A 37 -0.658 8.106 -3.565 1.00 0.00 C ATOM 570 CE2 PHE A 37 0.634 10.175 -3.692 1.00 0.00 C ATOM 571 CZ PHE A 37 -0.393 9.344 -4.188 1.00 0.00 C ATOM 0 H PHE A 37 3.438 7.050 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 37 3.339 6.573 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.292 7.919 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.650 8.881 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.010 6.673 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.262 10.349 -2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.490 7.503 -3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.801 11.148 -4.130 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.975 9.655 -5.043 1.00 0.00 H new ATOM 581 N CYS A 38 1.319 4.973 -0.216 1.00 0.00 N ATOM 582 CA CYS A 38 0.633 3.676 -0.199 1.00 0.00 C ATOM 583 C CYS A 38 -0.672 3.757 0.634 1.00 0.00 C ATOM 584 O CYS A 38 -0.919 4.733 1.341 1.00 0.00 O ATOM 585 CB CYS A 38 1.570 2.591 0.383 1.00 0.00 C ATOM 586 SG CYS A 38 3.013 2.250 -0.666 1.00 0.00 S ATOM 0 H CYS A 38 1.303 5.416 0.702 1.00 0.00 H new ATOM 0 HA CYS A 38 0.370 3.409 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.912 2.907 1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.005 1.669 0.522 1.00 0.00 H new ATOM 0 HG CYS A 38 3.359 1.003 -0.537 1.00 0.00 H new ATOM 591 N ARG A 39 -1.474 2.677 0.567 1.00 0.00 N ATOM 592 CA ARG A 39 -2.502 2.282 1.538 1.00 0.00 C ATOM 593 C ARG A 39 -1.855 1.396 2.633 1.00 0.00 C ATOM 594 O ARG A 39 -0.810 0.788 2.343 1.00 0.00 O ATOM 595 CB ARG A 39 -3.617 1.506 0.797 1.00 0.00 C ATOM 596 CG ARG A 39 -5.020 2.087 1.009 1.00 0.00 C ATOM 597 CD ARG A 39 -6.141 1.237 0.404 1.00 0.00 C ATOM 598 NE ARG A 39 -5.589 0.335 -0.618 1.00 0.00 N ATOM 599 CZ ARG A 39 -5.954 -0.941 -0.837 1.00 0.00 C ATOM 600 NH1 ARG A 39 -6.911 -1.529 -0.103 1.00 0.00 N ATOM 601 NH2 ARG A 39 -5.344 -1.633 -1.811 1.00 0.00 N ATOM 0 H ARG A 39 -1.415 2.022 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.936 3.162 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.394 1.499 -0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.609 0.469 1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.199 2.199 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.059 3.085 0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.632 0.658 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.900 1.882 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.858 0.714 -1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.378 -1.007 0.639 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.172 -2.498 -0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.616 -1.191 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.608 -2.602 -1.991 1.00 0.00 H new ATOM 615 N PRO A 40 -2.418 1.243 3.853 1.00 0.00 N ATOM 616 CA PRO A 40 -1.832 0.446 4.945 1.00 0.00 C ATOM 617 C PRO A 40 -1.379 -0.982 4.559 1.00 0.00 C ATOM 618 O PRO A 40 -0.615 -1.606 5.300 1.00 0.00 O ATOM 619 CB PRO A 40 -2.895 0.413 6.060 1.00 0.00 C ATOM 620 CG PRO A 40 -4.190 0.838 5.370 1.00 0.00 C ATOM 621 CD PRO A 40 -3.691 1.799 4.295 1.00 0.00 C ATOM 0 HA PRO A 40 -0.901 0.919 5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.985 -0.583 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.638 1.092 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.719 -0.013 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.878 1.324 6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.399 1.869 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.565 2.806 4.693 1.00 0.00 H new ATOM 629 N SER A 41 -1.875 -1.505 3.423 1.00 0.00 N ATOM 630 CA SER A 41 -1.903 -2.931 3.067 1.00 0.00 C ATOM 631 C SER A 41 -0.637 -3.362 2.299 1.00 0.00 C ATOM 632 O SER A 41 -0.651 -4.423 1.652 1.00 0.00 O ATOM 633 CB SER A 41 -3.173 -3.238 2.246 1.00 0.00 C ATOM 634 OG SER A 41 -3.966 -2.098 1.964 1.00 0.00 O ATOM 0 H SER A 41 -2.285 -0.917 2.697 1.00 0.00 H new ATOM 0 HA SER A 41 -1.923 -3.508 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.881 -3.707 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.778 -3.964 2.790 1.00 0.00 H new ATOM 0 HG SER A 41 -4.659 -2.335 1.313 1.00 0.00 H new ATOM 640 N CYS A 42 0.455 -2.563 2.308 1.00 0.00 N ATOM 641 CA CYS A 42 1.546 -2.668 1.316 1.00 0.00 C ATOM 642 C CYS A 42 2.270 -4.026 1.454 1.00 0.00 C ATOM 643 O CYS A 42 2.987 -4.253 2.430 1.00 0.00 O ATOM 644 CB CYS A 42 2.518 -1.478 1.450 1.00 0.00 C ATOM 645 SG CYS A 42 3.549 -1.247 -0.041 1.00 0.00 S ATOM 0 H CYS A 42 0.603 -1.830 3.002 1.00 0.00 H new ATOM 0 HA CYS A 42 1.119 -2.625 0.314 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.949 -0.568 1.639 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.164 -1.636 2.314 1.00 0.00 H new ATOM 0 HG CYS A 42 2.799 -0.865 -1.032 1.00 0.00 H new ATOM 650 N ARG A 43 2.052 -4.937 0.485 1.00 0.00 N ATOM 651 CA ARG A 43 2.316 -6.380 0.585 1.00 0.00 C ATOM 652 C ARG A 43 3.831 -6.676 0.590 1.00 0.00 C ATOM 653 O ARG A 43 4.326 -7.348 1.501 1.00 0.00 O ATOM 654 CB ARG A 43 1.597 -7.112 -0.570 1.00 0.00 C ATOM 655 CG ARG A 43 2.570 -7.776 -1.558 1.00 0.00 C ATOM 656 CD ARG A 43 2.057 -7.703 -3.003 1.00 0.00 C ATOM 657 NE ARG A 43 1.947 -9.046 -3.593 1.00 0.00 N ATOM 658 CZ ARG A 43 0.842 -9.816 -3.605 1.00 0.00 C ATOM 659 NH1 ARG A 43 -0.301 -9.406 -3.033 1.00 0.00 N ATOM 660 NH2 ARG A 43 0.883 -11.016 -4.200 1.00 0.00 N ATOM 0 H ARG A 43 1.672 -4.674 -0.424 1.00 0.00 H new ATOM 0 HA ARG A 43 1.923 -6.748 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.935 -7.872 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.970 -6.402 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.543 -7.288 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.717 -8.819 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.084 -7.213 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.733 -7.093 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 43 2.784 -9.429 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.345 -8.495 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.126 -10.006 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.746 -11.339 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.052 -11.607 -4.215 1.00 0.00 H new ATOM 674 N ALA A 44 4.568 -6.194 -0.429 1.00 0.00 N ATOM 675 CA ALA A 44 6.032 -6.286 -0.536 1.00 0.00 C ATOM 676 C ALA A 44 6.709 -5.928 0.806 1.00 0.00 C ATOM 677 O ALA A 44 6.219 -5.061 1.532 1.00 0.00 O ATOM 678 CB ALA A 44 6.533 -5.363 -1.658 1.00 0.00 C ATOM 0 H ALA A 44 4.145 -5.715 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 44 6.298 -7.315 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.618 -5.436 -1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.084 -5.664 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.253 -4.334 -1.435 1.00 0.00 H new ATOM 684 N ARG A 45 7.822 -6.611 1.137 1.00 0.00 N ATOM 685 CA ARG A 45 8.532 -6.522 2.421 1.00 0.00 C ATOM 686 C ARG A 45 8.649 -5.052 2.886 1.00 0.00 C ATOM 687 O ARG A 45 9.434 -4.289 2.321 1.00 0.00 O ATOM 688 CB ARG A 45 9.920 -7.184 2.287 1.00 0.00 C ATOM 689 CG ARG A 45 10.459 -7.707 3.629 1.00 0.00 C ATOM 690 CD ARG A 45 11.850 -8.338 3.481 1.00 0.00 C ATOM 691 NE ARG A 45 12.097 -9.321 4.548 1.00 0.00 N ATOM 692 CZ ARG A 45 12.743 -10.493 4.407 1.00 0.00 C ATOM 693 NH1 ARG A 45 13.242 -10.879 3.223 1.00 0.00 N ATOM 694 NH2 ARG A 45 12.892 -11.294 5.472 1.00 0.00 N ATOM 0 H ARG A 45 8.265 -7.264 0.491 1.00 0.00 H new ATOM 0 HA ARG A 45 7.964 -7.055 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.857 -8.010 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.624 -6.462 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.507 -6.887 4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.767 -8.445 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.932 -8.823 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.612 -7.560 3.515 1.00 0.00 H new ATOM 0 HE ARG A 45 11.747 -9.093 5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.136 -10.279 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.728 -11.772 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.517 -11.013 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.380 -12.185 5.376 1.00 0.00 H new ATOM 708 N HIS A 46 7.850 -4.667 3.900 1.00 0.00 N ATOM 709 CA HIS A 46 7.556 -3.280 4.287 1.00 0.00 C ATOM 710 C HIS A 46 8.827 -2.402 4.256 1.00 0.00 C ATOM 711 O HIS A 46 9.913 -2.874 4.600 1.00 0.00 O ATOM 712 CB HIS A 46 6.882 -3.236 5.680 1.00 0.00 C ATOM 713 CG HIS A 46 5.467 -3.759 5.721 1.00 0.00 C ATOM 714 ND1 HIS A 46 4.961 -4.388 6.864 1.00 0.00 N ATOM 715 CD2 HIS A 46 4.481 -3.714 4.770 1.00 0.00 C ATOM 716 CE1 HIS A 46 3.695 -4.684 6.558 1.00 0.00 C ATOM 717 NE2 HIS A 46 3.359 -4.302 5.315 1.00 0.00 N ATOM 0 H HIS A 46 7.373 -5.345 4.495 1.00 0.00 H new ATOM 0 HA HIS A 46 6.860 -2.869 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.487 -3.814 6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.883 -2.205 6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.567 -3.296 3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.015 -5.177 7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.453 -4.423 4.863 1.00 0.00 H new ATOM 725 N ALA A 47 8.685 -1.120 3.869 1.00 0.00 N ATOM 726 CA ALA A 47 9.665 -0.048 4.099 1.00 0.00 C ATOM 727 C ALA A 47 9.510 0.552 5.514 1.00 0.00 C ATOM 728 O ALA A 47 8.405 0.927 5.909 1.00 0.00 O ATOM 729 CB ALA A 47 9.506 1.043 3.028 1.00 0.00 C ATOM 0 H ALA A 47 7.856 -0.794 3.371 1.00 0.00 H new ATOM 0 HA ALA A 47 10.666 -0.473 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.235 1.834 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.671 0.611 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.500 1.459 3.079 1.00 0.00 H new ATOM 735 N LEU A 48 10.617 0.618 6.278 1.00 0.00 N ATOM 736 CA LEU A 48 10.644 0.841 7.730 1.00 0.00 C ATOM 737 C LEU A 48 9.714 2.010 8.123 1.00 0.00 C ATOM 738 O LEU A 48 9.597 2.987 7.383 1.00 0.00 O ATOM 739 CB LEU A 48 12.086 1.138 8.192 1.00 0.00 C ATOM 740 CG LEU A 48 13.035 -0.079 8.234 1.00 0.00 C ATOM 741 CD1 LEU A 48 13.912 0.006 9.494 1.00 0.00 C ATOM 742 CD2 LEU A 48 12.271 -1.413 8.244 1.00 0.00 C ATOM 0 H LEU A 48 11.551 0.513 5.882 1.00 0.00 H new ATOM 0 HA LEU A 48 10.288 -0.064 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.515 1.888 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.046 1.580 9.188 1.00 0.00 H new ATOM 0 HG LEU A 48 13.646 -0.052 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.584 -0.852 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.497 0.925 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.277 0.005 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.982 -2.239 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.627 -1.457 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.662 -1.490 7.343 1.00 0.00 H new ATOM 754 N ARG A 49 9.040 1.892 9.284 1.00 0.00 N ATOM 755 CA ARG A 49 8.310 2.967 9.970 1.00 0.00 C ATOM 756 C ARG A 49 9.118 4.283 9.966 1.00 0.00 C ATOM 757 O ARG A 49 8.540 5.371 9.951 1.00 0.00 O ATOM 758 CB ARG A 49 7.978 2.518 11.409 1.00 0.00 C ATOM 759 CG ARG A 49 7.152 3.560 12.180 1.00 0.00 C ATOM 760 CD ARG A 49 8.035 4.693 12.718 1.00 0.00 C ATOM 761 NE ARG A 49 7.926 4.794 14.181 1.00 0.00 N ATOM 762 CZ ARG A 49 8.684 4.134 15.075 1.00 0.00 C ATOM 763 NH1 ARG A 49 9.562 3.195 14.690 1.00 0.00 N ATOM 764 NH2 ARG A 49 8.559 4.419 16.379 1.00 0.00 N ATOM 0 H ARG A 49 8.990 1.006 9.787 1.00 0.00 H new ATOM 0 HA ARG A 49 7.381 3.164 9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.428 1.578 11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.905 2.325 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.385 3.975 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.636 3.075 13.009 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.073 4.514 12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.740 5.638 12.261 1.00 0.00 H new ATOM 0 HE ARG A 49 7.211 5.421 14.551 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.665 2.968 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.126 2.708 15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.894 5.130 16.684 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.129 3.925 17.066 1.00 0.00 H new ATOM 778 N GLU A 50 10.464 4.171 10.006 1.00 0.00 N ATOM 779 CA GLU A 50 11.410 5.248 10.302 1.00 0.00 C ATOM 780 C GLU A 50 11.604 6.186 9.098 1.00 0.00 C ATOM 781 O GLU A 50 12.002 7.341 9.248 1.00 0.00 O ATOM 782 CB GLU A 50 12.754 4.628 10.727 1.00 0.00 C ATOM 783 CG GLU A 50 13.739 5.692 11.225 1.00 0.00 C ATOM 784 CD GLU A 50 14.232 5.473 12.664 1.00 0.00 C ATOM 785 OE1 GLU A 50 14.884 4.435 12.915 1.00 0.00 O ATOM 786 OE2 GLU A 50 13.939 6.362 13.494 1.00 0.00 O ATOM 0 H GLU A 50 10.933 3.284 9.823 1.00 0.00 H new ATOM 0 HA GLU A 50 11.006 5.853 11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.583 3.894 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.191 4.094 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.600 5.714 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.262 6.670 11.162 1.00 0.00 H new ATOM 793 N ASN A 51 11.296 5.677 7.884 1.00 0.00 N ATOM 794 CA ASN A 51 11.204 6.411 6.616 1.00 0.00 C ATOM 795 C ASN A 51 9.735 6.748 6.270 1.00 0.00 C ATOM 796 O ASN A 51 9.482 7.569 5.385 1.00 0.00 O ATOM 797 CB ASN A 51 11.832 5.571 5.485 1.00 0.00 C ATOM 798 CG ASN A 51 13.221 5.009 5.833 1.00 0.00 C ATOM 799 OD1 ASN A 51 14.072 5.703 6.382 1.00 0.00 O ATOM 800 ND2 ASN A 51 13.433 3.725 5.515 1.00 0.00 N ATOM 0 H ASN A 51 11.094 4.684 7.763 1.00 0.00 H new ATOM 0 HA ASN A 51 11.749 7.349 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.164 4.744 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.912 6.186 4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.330 3.288 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.698 3.184 5.059 1.00 0.00 H new ATOM 807 N VAL A 52 8.774 6.099 6.954 1.00 0.00 N ATOM 808 CA VAL A 52 7.333 6.118 6.658 1.00 0.00 C ATOM 809 C VAL A 52 6.617 7.145 7.562 1.00 0.00 C ATOM 810 O VAL A 52 6.865 7.186 8.770 1.00 0.00 O ATOM 811 CB VAL A 52 6.739 4.696 6.839 1.00 0.00 C ATOM 812 CG1 VAL A 52 5.558 4.685 7.826 1.00 0.00 C ATOM 813 CG2 VAL A 52 6.249 4.089 5.513 1.00 0.00 C ATOM 0 H VAL A 52 8.994 5.521 7.765 1.00 0.00 H new ATOM 0 HA VAL A 52 7.180 6.421 5.622 1.00 0.00 H new ATOM 0 HB VAL A 52 7.559 4.095 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.173 3.670 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.895 5.039 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.768 5.339 7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.843 3.094 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.473 4.725 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.083 4.017 4.815 1.00 0.00 H new ATOM 823 N SER A 53 5.730 7.975 6.980 1.00 0.00 N ATOM 824 CA SER A 53 4.802 8.868 7.689 1.00 0.00 C ATOM 825 C SER A 53 3.409 8.894 7.021 1.00 0.00 C ATOM 826 O SER A 53 3.291 8.608 5.829 1.00 0.00 O ATOM 827 CB SER A 53 5.394 10.288 7.766 1.00 0.00 C ATOM 828 OG SER A 53 5.058 11.051 6.622 1.00 0.00 O ATOM 0 H SER A 53 5.639 8.042 5.966 1.00 0.00 H new ATOM 0 HA SER A 53 4.669 8.481 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.025 10.789 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.478 10.227 7.859 1.00 0.00 H new ATOM 0 HG SER A 53 5.446 11.947 6.701 1.00 0.00 H new ATOM 834 N PHE A 54 2.366 9.218 7.813 1.00 0.00 N ATOM 835 CA PHE A 54 0.953 8.927 7.534 1.00 0.00 C ATOM 836 C PHE A 54 0.118 10.210 7.299 1.00 0.00 C ATOM 837 O PHE A 54 0.293 11.225 7.974 1.00 0.00 O ATOM 838 CB PHE A 54 0.342 8.123 8.703 1.00 0.00 C ATOM 839 CG PHE A 54 1.150 6.921 9.173 1.00 0.00 C ATOM 840 CD1 PHE A 54 2.278 7.103 10.008 1.00 0.00 C ATOM 841 CD2 PHE A 54 0.792 5.617 8.761 1.00 0.00 C ATOM 842 CE1 PHE A 54 3.071 5.998 10.382 1.00 0.00 C ATOM 843 CE2 PHE A 54 1.595 4.513 9.123 1.00 0.00 C ATOM 844 CZ PHE A 54 2.722 4.701 9.949 1.00 0.00 C ATOM 0 H PHE A 54 2.495 9.709 8.698 1.00 0.00 H new ATOM 0 HA PHE A 54 0.922 8.342 6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.202 8.796 9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.648 7.778 8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.533 8.092 10.360 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.098 5.465 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.945 6.145 10.999 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.346 3.524 8.767 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.318 3.852 10.250 1.00 0.00 H new ATOM 854 N TYR A 55 -0.792 10.156 6.309 1.00 0.00 N ATOM 855 CA TYR A 55 -1.777 11.165 5.896 1.00 0.00 C ATOM 856 C TYR A 55 -3.225 10.661 6.091 1.00 0.00 C ATOM 857 O TYR A 55 -3.461 9.524 6.496 1.00 0.00 O ATOM 858 CB TYR A 55 -1.544 11.512 4.407 1.00 0.00 C ATOM 859 CG TYR A 55 -0.071 11.625 4.024 1.00 0.00 C ATOM 860 CD1 TYR A 55 0.822 12.236 4.946 1.00 0.00 C ATOM 861 CD2 TYR A 55 0.426 11.151 2.792 1.00 0.00 C ATOM 862 CE1 TYR A 55 2.183 12.396 4.616 1.00 0.00 C ATOM 863 CE2 TYR A 55 1.797 11.267 2.484 1.00 0.00 C ATOM 864 CZ TYR A 55 2.675 11.906 3.387 1.00 0.00 C ATOM 865 OH TYR A 55 3.997 12.048 3.079 1.00 0.00 O ATOM 0 H TYR A 55 -0.860 9.323 5.724 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.647 12.050 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.013 10.747 3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.042 12.455 4.181 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.456 12.579 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.248 10.697 2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.850 12.894 5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.177 10.866 1.556 1.00 0.00 H new ATOM 0 HH TYR A 55 4.527 12.044 3.903 1.00 0.00 H new ATOM 875 N ALA A 56 -4.202 11.545 5.771 1.00 0.00 N ATOM 876 CA ALA A 56 -5.618 11.212 5.571 1.00 0.00 C ATOM 877 C ALA A 56 -5.839 10.446 4.248 1.00 0.00 C ATOM 878 O ALA A 56 -6.614 9.484 4.215 1.00 0.00 O ATOM 879 CB ALA A 56 -6.463 12.496 5.596 1.00 0.00 C ATOM 0 H ALA A 56 -4.011 12.539 5.643 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.932 10.558 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.513 12.244 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.342 12.992 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.134 13.164 4.800 1.00 0.00 H new ATOM 885 N ASN A 57 -5.178 10.871 3.152 1.00 0.00 N ATOM 886 CA ASN A 57 -5.284 10.273 1.813 1.00 0.00 C ATOM 887 C ASN A 57 -4.076 10.649 0.924 1.00 0.00 C ATOM 888 O ASN A 57 -3.163 11.350 1.359 1.00 0.00 O ATOM 889 CB ASN A 57 -6.592 10.734 1.136 1.00 0.00 C ATOM 890 CG ASN A 57 -6.582 12.215 0.738 1.00 0.00 C ATOM 891 OD1 ASN A 57 -6.741 12.550 -0.434 1.00 0.00 O ATOM 892 ND2 ASN A 57 -6.387 13.108 1.712 1.00 0.00 N ATOM 0 H ASN A 57 -4.537 11.664 3.179 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.291 9.189 1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.766 10.128 0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.427 10.553 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.366 14.104 1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.259 12.794 2.674 1.00 0.00 H new ATOM 899 N ALA A 58 -4.086 10.149 -0.332 1.00 0.00 N ATOM 900 CA ALA A 58 -2.979 10.191 -1.296 1.00 0.00 C ATOM 901 C ALA A 58 -2.897 11.560 -2.007 1.00 0.00 C ATOM 902 O ALA A 58 -1.891 11.858 -2.654 1.00 0.00 O ATOM 903 CB ALA A 58 -3.145 9.061 -2.326 1.00 0.00 C ATOM 0 H ALA A 58 -4.910 9.684 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.046 10.049 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.322 9.095 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.142 8.099 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.089 9.187 -2.855 1.00 0.00 H new ATOM 909 N SER A 59 -3.944 12.395 -1.870 1.00 0.00 N ATOM 910 CA SER A 59 -3.975 13.816 -2.251 1.00 0.00 C ATOM 911 C SER A 59 -3.118 14.681 -1.303 1.00 0.00 C ATOM 912 O SER A 59 -2.418 15.590 -1.754 1.00 0.00 O ATOM 913 CB SER A 59 -5.431 14.320 -2.301 1.00 0.00 C ATOM 914 OG SER A 59 -6.202 13.599 -3.242 1.00 0.00 O ATOM 0 H SER A 59 -4.830 12.082 -1.473 1.00 0.00 H new ATOM 0 HA SER A 59 -3.539 13.909 -3.246 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.882 14.227 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.441 15.379 -2.558 1.00 0.00 H new ATOM 0 HG SER A 59 -6.736 12.921 -2.777 1.00 0.00 H new ATOM 920 N GLU A 60 -3.174 14.392 0.010 1.00 0.00 N ATOM 921 CA GLU A 60 -2.261 14.906 1.047 1.00 0.00 C ATOM 922 C GLU A 60 -0.815 14.454 0.742 1.00 0.00 C ATOM 923 O GLU A 60 0.141 15.221 0.849 1.00 0.00 O ATOM 924 CB GLU A 60 -2.716 14.424 2.441 1.00 0.00 C ATOM 925 CG GLU A 60 -3.176 15.580 3.349 1.00 0.00 C ATOM 926 CD GLU A 60 -3.101 15.269 4.849 1.00 0.00 C ATOM 927 OE1 GLU A 60 -1.961 15.284 5.364 1.00 0.00 O ATOM 928 OE2 GLU A 60 -4.164 15.021 5.460 1.00 0.00 O ATOM 0 H GLU A 60 -3.885 13.769 0.393 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.286 15.996 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.532 13.711 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.895 13.893 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.563 16.457 3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.203 15.841 3.094 1.00 0.00 H new ATOM 935 N ALA A 61 -0.679 13.171 0.324 1.00 0.00 N ATOM 936 CA ALA A 61 0.587 12.533 -0.057 1.00 0.00 C ATOM 937 C ALA A 61 1.084 13.059 -1.423 1.00 0.00 C ATOM 938 O ALA A 61 2.291 13.121 -1.663 1.00 0.00 O ATOM 939 CB ALA A 61 0.412 11.006 -0.096 1.00 0.00 C ATOM 0 H ALA A 61 -1.477 12.540 0.243 1.00 0.00 H new ATOM 0 HA ALA A 61 1.340 12.784 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.355 10.539 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.112 10.649 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.355 10.746 -0.825 1.00 0.00 H new ATOM 945 N LEU A 62 0.144 13.455 -2.300 1.00 0.00 N ATOM 946 CA LEU A 62 0.368 14.274 -3.506 1.00 0.00 C ATOM 947 C LEU A 62 0.804 15.702 -3.113 1.00 0.00 C ATOM 948 O LEU A 62 1.673 16.294 -3.754 1.00 0.00 O ATOM 949 CB LEU A 62 -0.922 14.325 -4.350 1.00 0.00 C ATOM 950 CG LEU A 62 -0.896 13.547 -5.685 1.00 0.00 C ATOM 951 CD1 LEU A 62 -2.253 13.709 -6.389 1.00 0.00 C ATOM 952 CD2 LEU A 62 0.216 14.032 -6.628 1.00 0.00 C ATOM 0 H LEU A 62 -0.837 13.202 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 62 1.163 13.820 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.743 13.939 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.149 15.369 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.697 12.501 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.241 13.162 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.043 13.314 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.438 14.765 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.189 13.452 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.064 15.087 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.185 13.902 -6.146 1.00 0.00 H new ATOM 964 N ALA A 63 0.198 16.237 -2.031 1.00 0.00 N ATOM 965 CA ALA A 63 0.604 17.464 -1.333 1.00 0.00 C ATOM 966 C ALA A 63 2.001 17.309 -0.695 1.00 0.00 C ATOM 967 O ALA A 63 2.641 18.304 -0.350 1.00 0.00 O ATOM 968 CB ALA A 63 -0.438 17.827 -0.261 1.00 0.00 C ATOM 0 H ALA A 63 -0.622 15.803 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 63 0.660 18.270 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.130 18.738 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.407 17.987 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.517 17.013 0.460 1.00 0.00 H new ATOM 974 N ALA A 64 2.466 16.055 -0.527 1.00 0.00 N ATOM 975 CA ALA A 64 3.840 15.702 -0.144 1.00 0.00 C ATOM 976 C ALA A 64 4.784 15.699 -1.365 1.00 0.00 C ATOM 977 O ALA A 64 6.005 15.645 -1.209 1.00 0.00 O ATOM 978 CB ALA A 64 3.851 14.328 0.548 1.00 0.00 C ATOM 0 H ALA A 64 1.873 15.236 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 64 4.205 16.458 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.872 14.071 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.226 14.365 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.462 13.573 -0.136 1.00 0.00 H new ATOM 984 N GLY A 65 4.220 15.755 -2.594 1.00 0.00 N ATOM 985 CA GLY A 65 4.983 15.765 -3.853 1.00 0.00 C ATOM 986 C GLY A 65 5.037 14.379 -4.548 1.00 0.00 C ATOM 987 O GLY A 65 5.485 14.264 -5.687 1.00 0.00 O ATOM 0 H GLY A 65 3.211 15.795 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.536 16.489 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.000 16.103 -3.651 1.00 0.00 H new ATOM 991 N PHE A 66 4.603 13.337 -3.812 1.00 0.00 N ATOM 992 CA PHE A 66 4.904 11.920 -4.054 1.00 0.00 C ATOM 993 C PHE A 66 4.019 11.326 -5.173 1.00 0.00 C ATOM 994 O PHE A 66 3.055 11.950 -5.618 1.00 0.00 O ATOM 995 CB PHE A 66 4.715 11.114 -2.751 1.00 0.00 C ATOM 996 CG PHE A 66 5.668 11.453 -1.613 1.00 0.00 C ATOM 997 CD1 PHE A 66 6.500 12.593 -1.689 1.00 0.00 C ATOM 998 CD2 PHE A 66 5.704 10.639 -0.453 1.00 0.00 C ATOM 999 CE1 PHE A 66 7.352 12.922 -0.613 1.00 0.00 C ATOM 1000 CE2 PHE A 66 6.491 11.019 0.654 1.00 0.00 C ATOM 1001 CZ PHE A 66 7.338 12.145 0.563 1.00 0.00 C ATOM 0 H PHE A 66 4.006 13.471 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 66 5.941 11.853 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.694 11.263 -2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.821 10.054 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.484 13.214 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.128 9.726 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.016 13.770 -0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.446 10.449 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.975 12.411 1.394 1.00 0.00 H new ATOM 1011 N ARG A 67 4.379 10.108 -5.633 1.00 0.00 N ATOM 1012 CA ARG A 67 3.745 9.353 -6.721 1.00 0.00 C ATOM 1013 C ARG A 67 3.101 8.045 -6.197 1.00 0.00 C ATOM 1014 O ARG A 67 3.574 7.508 -5.192 1.00 0.00 O ATOM 1015 CB ARG A 67 4.805 9.039 -7.803 1.00 0.00 C ATOM 1016 CG ARG A 67 6.229 9.060 -7.238 1.00 0.00 C ATOM 1017 CD ARG A 67 7.291 9.552 -8.228 1.00 0.00 C ATOM 1018 NE ARG A 67 7.597 8.481 -9.189 1.00 0.00 N ATOM 1019 CZ ARG A 67 7.051 8.318 -10.405 1.00 0.00 C ATOM 1020 NH1 ARG A 67 6.130 9.172 -10.878 1.00 0.00 N ATOM 1021 NH2 ARG A 67 7.441 7.278 -11.156 1.00 0.00 N ATOM 0 H ARG A 67 5.166 9.601 -5.227 1.00 0.00 H new ATOM 0 HA ARG A 67 2.948 9.959 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.602 8.059 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.725 9.767 -8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.248 9.699 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.492 8.055 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.931 10.436 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.195 9.845 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 67 8.294 7.793 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.831 9.965 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.729 9.028 -11.805 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.141 6.627 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.037 7.138 -12.082 1.00 0.00 H new ATOM 1035 N PRO A 68 2.009 7.534 -6.816 1.00 0.00 N ATOM 1036 CA PRO A 68 1.303 6.315 -6.383 1.00 0.00 C ATOM 1037 C PRO A 68 2.099 5.001 -6.543 1.00 0.00 C ATOM 1038 O PRO A 68 2.539 4.671 -7.645 1.00 0.00 O ATOM 1039 CB PRO A 68 -0.005 6.285 -7.197 1.00 0.00 C ATOM 1040 CG PRO A 68 0.357 7.044 -8.478 1.00 0.00 C ATOM 1041 CD PRO A 68 1.310 8.112 -7.958 1.00 0.00 C ATOM 0 HA PRO A 68 1.134 6.365 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.322 5.264 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.823 6.767 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.833 6.397 -9.214 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.521 7.479 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.016 8.410 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.763 9.008 -7.663 1.00 0.00 H new ATOM 1049 N CYS A 69 2.265 4.248 -5.439 1.00 0.00 N ATOM 1050 CA CYS A 69 2.898 2.923 -5.369 1.00 0.00 C ATOM 1051 C CYS A 69 2.303 1.975 -6.432 1.00 0.00 C ATOM 1052 O CYS A 69 1.125 2.102 -6.781 1.00 0.00 O ATOM 1053 CB CYS A 69 2.741 2.384 -3.926 1.00 0.00 C ATOM 1054 SG CYS A 69 3.335 0.675 -3.705 1.00 0.00 S ATOM 0 H CYS A 69 1.943 4.567 -4.525 1.00 0.00 H new ATOM 0 HA CYS A 69 3.962 2.994 -5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.284 3.038 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.689 2.432 -3.644 1.00 0.00 H new ATOM 0 HG CYS A 69 3.486 0.429 -2.438 1.00 0.00 H new ATOM 1059 N LYS A 70 3.109 1.036 -6.964 1.00 0.00 N ATOM 1060 CA LYS A 70 2.744 0.123 -8.058 1.00 0.00 C ATOM 1061 C LYS A 70 1.969 -1.099 -7.514 1.00 0.00 C ATOM 1062 O LYS A 70 1.774 -2.078 -8.235 1.00 0.00 O ATOM 1063 CB LYS A 70 4.015 -0.306 -8.822 1.00 0.00 C ATOM 1064 CG LYS A 70 3.837 -0.235 -10.348 1.00 0.00 C ATOM 1065 CD LYS A 70 5.112 0.227 -11.068 1.00 0.00 C ATOM 1066 CE LYS A 70 5.178 1.762 -11.081 1.00 0.00 C ATOM 1067 NZ LYS A 70 4.597 2.328 -12.311 1.00 0.00 N ATOM 0 H LYS A 70 4.062 0.890 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 70 2.084 0.641 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.846 0.334 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.280 -1.324 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.547 -1.217 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.022 0.449 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.991 -0.179 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.122 -0.155 -12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.646 2.155 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.216 2.081 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.661 3.366 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.120 1.973 -13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.599 2.045 -12.386 1.00 0.00 H new ATOM 1081 N ARG A 71 1.552 -1.046 -6.236 1.00 0.00 N ATOM 1082 CA ARG A 71 1.132 -2.188 -5.407 1.00 0.00 C ATOM 1083 C ARG A 71 -0.161 -1.862 -4.631 1.00 0.00 C ATOM 1084 O ARG A 71 -1.073 -2.686 -4.561 1.00 0.00 O ATOM 1085 CB ARG A 71 2.294 -2.548 -4.453 1.00 0.00 C ATOM 1086 CG ARG A 71 2.501 -4.060 -4.303 1.00 0.00 C ATOM 1087 CD ARG A 71 3.955 -4.419 -3.967 1.00 0.00 C ATOM 1088 NE ARG A 71 4.898 -3.663 -4.805 1.00 0.00 N ATOM 1089 CZ ARG A 71 5.391 -4.050 -5.996 1.00 0.00 C ATOM 1090 NH1 ARG A 71 5.080 -5.241 -6.530 1.00 0.00 N ATOM 1091 NH2 ARG A 71 6.215 -3.228 -6.663 1.00 0.00 N ATOM 0 H ARG A 71 1.496 -0.162 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 71 0.906 -3.046 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.214 -2.096 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.099 -2.115 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.845 -4.438 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.211 -4.558 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.150 -4.209 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.111 -5.488 -4.113 1.00 0.00 H new ATOM 0 HE ARG A 71 5.208 -2.759 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.457 -5.876 -6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.467 -5.511 -7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.461 -2.321 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.595 -3.510 -7.567 1.00 0.00 H new ATOM 1105 N CYS A 72 -0.246 -0.640 -4.057 1.00 0.00 N ATOM 1106 CA CYS A 72 -1.395 -0.160 -3.274 1.00 0.00 C ATOM 1107 C CYS A 72 -2.274 0.800 -4.104 1.00 0.00 C ATOM 1108 O CYS A 72 -3.388 0.434 -4.492 1.00 0.00 O ATOM 1109 CB CYS A 72 -0.905 0.492 -1.963 1.00 0.00 C ATOM 1110 SG CYS A 72 0.395 -0.499 -1.172 1.00 0.00 S ATOM 0 H CYS A 72 0.501 0.050 -4.130 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.023 -1.012 -3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.525 1.492 -2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.744 0.607 -1.277 1.00 0.00 H new ATOM 0 HG CYS A 72 0.214 -0.504 0.115 1.00 0.00 H new ATOM 1115 N GLN A 73 -1.797 2.036 -4.348 1.00 0.00 N ATOM 1116 CA GLN A 73 -2.618 3.186 -4.762 1.00 0.00 C ATOM 1117 C GLN A 73 -3.527 2.800 -5.956 1.00 0.00 C ATOM 1118 O GLN A 73 -4.747 2.950 -5.847 1.00 0.00 O ATOM 1119 CB GLN A 73 -1.671 4.347 -5.129 1.00 0.00 C ATOM 1120 CG GLN A 73 -1.927 5.650 -4.344 1.00 0.00 C ATOM 1121 CD GLN A 73 -3.359 5.842 -3.825 1.00 0.00 C ATOM 1122 OE1 GLN A 73 -4.213 6.327 -4.563 1.00 0.00 O ATOM 1123 NE2 GLN A 73 -3.643 5.468 -2.572 1.00 0.00 N ATOM 0 H GLN A 73 -0.807 2.266 -4.260 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.273 3.497 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.643 4.029 -4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.766 4.555 -6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.245 5.681 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.676 6.495 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.914 5.068 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.589 5.583 -2.207 1.00 0.00 H new