USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot -5:sc= 0.918 USER MOD Set 1.2: A 120 ASN : amide:sc= 1.34 X(o=2.8,f=2.5) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.588 X(o=2.8,f=2.5) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 165:sc= 2.29 (180deg=0.597) USER MOD Set 2.2: A 71 GLN : amide:sc= 1.06 K(o=3.4,f=-5.2!) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 51 SER OG : rot 169:sc= 1.52 USER MOD Set 4.2: A 126 HIS : no HE2:sc= 1.04 K(o=2.6,f=-2.7) USER MOD Set 5.1: A 37 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0) USER MOD Set 5.2: A 40 GLN : amide:sc= 0.998 K(o=2.2,f=-3) USER MOD Set 6.1: A 18 SER OG : rot -39:sc= 1.94 USER MOD Set 6.2: A 20 TYR OH : rot -30:sc= 0.839 USER MOD Set 7.1: A 12 CYS SG : rot 111:sc= 0.787 USER MOD Set 7.2: A 14 LYS NZ :NH3+ -175:sc= 2.02 (180deg=1.21) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 170:sc= -0.0257 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.363 K(o=0.36,f=-0.2) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -31:sc= 0.00977 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot -29:sc= 0.417 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -150:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.641 8.175 14.900 1.00 0.00 N ATOM 172 CA GLU A 8 -4.853 7.108 13.918 1.00 0.00 C ATOM 173 C GLU A 8 -4.832 5.749 14.637 1.00 0.00 C ATOM 174 O GLU A 8 -3.882 5.394 15.338 1.00 0.00 O ATOM 175 CB GLU A 8 -3.798 7.180 12.794 1.00 0.00 C ATOM 176 CG GLU A 8 -2.344 7.049 13.286 1.00 0.00 C ATOM 177 CD GLU A 8 -1.329 7.946 12.549 1.00 0.00 C ATOM 178 OE1 GLU A 8 -0.239 8.198 13.116 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.557 8.386 11.397 1.00 0.00 O ATOM 0 HA GLU A 8 -5.827 7.234 13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.998 6.389 12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.908 8.128 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.312 7.286 14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.032 6.010 13.182 1.00 0.00 H new ATOM 186 N SER A 9 -5.914 4.995 14.486 1.00 0.00 N ATOM 187 CA SER A 9 -6.142 3.709 15.155 1.00 0.00 C ATOM 188 C SER A 9 -5.720 2.540 14.261 1.00 0.00 C ATOM 189 O SER A 9 -6.137 2.475 13.107 1.00 0.00 O ATOM 190 CB SER A 9 -7.619 3.581 15.536 1.00 0.00 C ATOM 191 OG SER A 9 -7.942 4.508 16.564 1.00 0.00 O ATOM 0 H SER A 9 -6.685 5.266 13.876 1.00 0.00 H new ATOM 0 HA SER A 9 -5.532 3.676 16.058 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.245 3.763 14.662 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.829 2.566 15.872 1.00 0.00 H new ATOM 0 HG SER A 9 -8.889 4.419 16.799 1.00 0.00 H new ATOM 197 N VAL A 10 -4.896 1.610 14.749 1.00 0.00 N ATOM 198 CA VAL A 10 -4.348 0.511 13.924 1.00 0.00 C ATOM 199 C VAL A 10 -5.454 -0.447 13.450 1.00 0.00 C ATOM 200 O VAL A 10 -6.292 -0.883 14.242 1.00 0.00 O ATOM 201 CB VAL A 10 -3.218 -0.241 14.656 1.00 0.00 C ATOM 202 CG1 VAL A 10 -2.656 -1.402 13.825 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.056 0.681 15.054 1.00 0.00 C ATOM 0 H VAL A 10 -4.586 1.590 15.721 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.910 0.963 13.034 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.683 -0.636 15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.863 -1.899 14.384 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.452 -2.115 13.611 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.253 -1.017 12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.289 0.100 15.566 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.630 1.136 14.160 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.423 1.462 15.719 1.00 0.00 H new ATOM 213 N LEU A 11 -5.434 -0.785 12.155 1.00 0.00 N ATOM 214 CA LEU A 11 -6.364 -1.714 11.497 1.00 0.00 C ATOM 215 C LEU A 11 -5.698 -3.057 11.153 1.00 0.00 C ATOM 216 O LEU A 11 -6.260 -4.114 11.445 1.00 0.00 O ATOM 217 CB LEU A 11 -6.923 -1.084 10.207 1.00 0.00 C ATOM 218 CG LEU A 11 -7.703 0.234 10.353 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.243 0.618 8.975 1.00 0.00 C ATOM 220 CD2 LEU A 11 -8.878 0.130 11.324 1.00 0.00 C ATOM 0 H LEU A 11 -4.742 -0.404 11.510 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.172 -1.907 12.202 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.090 -0.910 9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.577 -1.814 9.730 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.019 0.983 10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.801 1.551 9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.412 0.747 8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.901 -0.170 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.387 1.092 11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.576 -0.629 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.510 -0.147 12.312 1.00 0.00 H new ATOM 232 N CYS A 12 -4.505 -3.021 10.548 1.00 0.00 N ATOM 233 CA CYS A 12 -3.757 -4.205 10.123 1.00 0.00 C ATOM 234 C CYS A 12 -2.250 -3.978 10.248 1.00 0.00 C ATOM 235 O CYS A 12 -1.736 -2.944 9.833 1.00 0.00 O ATOM 236 CB CYS A 12 -4.176 -4.577 8.691 1.00 0.00 C ATOM 237 SG CYS A 12 -3.181 -5.943 8.025 1.00 0.00 S ATOM 0 H CYS A 12 -4.024 -2.147 10.337 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.994 -5.043 10.778 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.229 -4.858 8.683 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.073 -3.705 8.045 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.924 -7.003 7.904 1.00 0.00 H new ATOM 243 N VAL A 13 -1.534 -4.963 10.788 1.00 0.00 N ATOM 244 CA VAL A 13 -0.068 -4.998 10.828 1.00 0.00 C ATOM 245 C VAL A 13 0.435 -6.214 10.052 1.00 0.00 C ATOM 246 O VAL A 13 -0.138 -7.304 10.162 1.00 0.00 O ATOM 247 CB VAL A 13 0.441 -4.917 12.282 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.103 -6.148 13.133 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.953 -4.672 12.349 1.00 0.00 C ATOM 0 H VAL A 13 -1.965 -5.780 11.221 1.00 0.00 H new ATOM 0 HA VAL A 13 0.347 -4.121 10.331 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.093 -4.065 12.704 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.495 -6.012 14.141 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.979 -6.273 13.179 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.552 -7.034 12.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.268 -4.622 13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.476 -5.488 11.851 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.192 -3.731 11.853 1.00 0.00 H new ATOM 259 N LYS A 14 1.488 -6.032 9.248 1.00 0.00 N ATOM 260 CA LYS A 14 2.179 -7.117 8.530 1.00 0.00 C ATOM 261 C LYS A 14 3.704 -7.082 8.730 1.00 0.00 C ATOM 262 O LYS A 14 4.304 -6.011 8.609 1.00 0.00 O ATOM 263 CB LYS A 14 1.766 -7.158 7.043 1.00 0.00 C ATOM 264 CG LYS A 14 0.319 -7.636 6.840 1.00 0.00 C ATOM 265 CD LYS A 14 0.140 -9.122 7.206 1.00 0.00 C ATOM 266 CE LYS A 14 -1.324 -9.550 7.168 1.00 0.00 C ATOM 267 NZ LYS A 14 -2.081 -9.003 8.323 1.00 0.00 N ATOM 0 H LYS A 14 1.893 -5.113 9.073 1.00 0.00 H new ATOM 0 HA LYS A 14 1.852 -8.057 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.879 -6.163 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.442 -7.819 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.351 -7.030 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.030 -7.482 5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.715 -9.737 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.544 -9.301 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.780 -9.209 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.386 -10.638 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.050 -9.381 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.610 -9.279 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.113 -7.966 8.257 1.00 0.00 H new ATOM 281 N PRO A 15 4.329 -8.237 9.050 1.00 0.00 N ATOM 282 CA PRO A 15 5.688 -8.307 9.603 1.00 0.00 C ATOM 283 C PRO A 15 6.803 -8.100 8.570 1.00 0.00 C ATOM 284 O PRO A 15 7.893 -7.655 8.928 1.00 0.00 O ATOM 285 CB PRO A 15 5.779 -9.701 10.240 1.00 0.00 C ATOM 286 CG PRO A 15 4.833 -10.548 9.386 1.00 0.00 C ATOM 287 CD PRO A 15 3.716 -9.562 9.082 1.00 0.00 C ATOM 0 HA PRO A 15 5.844 -7.495 10.314 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.798 -10.088 10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.470 -9.685 11.285 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.316 -10.910 8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.470 -11.423 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.243 -9.794 8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.938 -9.611 9.843 1.00 0.00 H new ATOM 295 N ASP A 16 6.541 -8.415 7.299 1.00 0.00 N ATOM 296 CA ASP A 16 7.482 -8.270 6.187 1.00 0.00 C ATOM 297 C ASP A 16 6.758 -7.795 4.918 1.00 0.00 C ATOM 298 O ASP A 16 5.726 -8.353 4.533 1.00 0.00 O ATOM 299 CB ASP A 16 8.206 -9.601 5.940 1.00 0.00 C ATOM 300 CG ASP A 16 9.244 -9.475 4.817 1.00 0.00 C ATOM 301 OD1 ASP A 16 10.129 -8.595 4.929 1.00 0.00 O ATOM 302 OD2 ASP A 16 9.189 -10.257 3.842 1.00 0.00 O ATOM 0 H ASP A 16 5.639 -8.790 7.007 1.00 0.00 H new ATOM 0 HA ASP A 16 8.222 -7.514 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.698 -9.925 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.478 -10.370 5.680 1.00 0.00 H new ATOM 307 N VAL A 17 7.301 -6.764 4.271 1.00 0.00 N ATOM 308 CA VAL A 17 6.749 -6.152 3.056 1.00 0.00 C ATOM 309 C VAL A 17 7.881 -5.539 2.224 1.00 0.00 C ATOM 310 O VAL A 17 8.852 -5.004 2.772 1.00 0.00 O ATOM 311 CB VAL A 17 5.652 -5.122 3.418 1.00 0.00 C ATOM 312 CG1 VAL A 17 6.166 -3.956 4.270 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.951 -4.555 2.182 1.00 0.00 C ATOM 0 H VAL A 17 8.162 -6.316 4.585 1.00 0.00 H new ATOM 0 HA VAL A 17 6.271 -6.917 2.444 1.00 0.00 H new ATOM 0 HB VAL A 17 4.936 -5.691 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.344 -3.273 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.574 -4.341 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.946 -3.424 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.191 -3.838 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.682 -4.057 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.480 -5.366 1.627 1.00 0.00 H new ATOM 323 N SER A 18 7.759 -5.620 0.897 1.00 0.00 N ATOM 324 CA SER A 18 8.706 -5.037 -0.062 1.00 0.00 C ATOM 325 C SER A 18 8.050 -3.972 -0.949 1.00 0.00 C ATOM 326 O SER A 18 6.888 -4.093 -1.332 1.00 0.00 O ATOM 327 CB SER A 18 9.399 -6.149 -0.859 1.00 0.00 C ATOM 328 OG SER A 18 8.517 -6.855 -1.712 1.00 0.00 O ATOM 0 H SER A 18 6.982 -6.104 0.447 1.00 0.00 H new ATOM 0 HA SER A 18 9.479 -4.505 0.492 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.201 -5.714 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.862 -6.850 -0.165 1.00 0.00 H new ATOM 0 HG SER A 18 7.658 -6.985 -1.259 1.00 0.00 H new ATOM 334 N VAL A 19 8.782 -2.897 -1.248 1.00 0.00 N ATOM 335 CA VAL A 19 8.284 -1.702 -1.946 1.00 0.00 C ATOM 336 C VAL A 19 9.109 -1.402 -3.193 1.00 0.00 C ATOM 337 O VAL A 19 10.336 -1.524 -3.206 1.00 0.00 O ATOM 338 CB VAL A 19 8.226 -0.482 -1.009 1.00 0.00 C ATOM 339 CG1 VAL A 19 7.933 0.814 -1.778 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.136 -0.690 0.050 1.00 0.00 C ATOM 0 H VAL A 19 9.770 -2.828 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 19 7.265 -1.916 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 19 9.203 -0.387 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.900 1.651 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.718 0.985 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.972 0.727 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.100 0.177 0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.171 -0.813 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.362 -1.582 0.634 1.00 0.00 H new ATOM 350 N TYR A 20 8.403 -0.959 -4.229 1.00 0.00 N ATOM 351 CA TYR A 20 8.907 -0.724 -5.577 1.00 0.00 C ATOM 352 C TYR A 20 8.420 0.646 -6.084 1.00 0.00 C ATOM 353 O TYR A 20 7.306 0.755 -6.578 1.00 0.00 O ATOM 354 CB TYR A 20 8.400 -1.875 -6.476 1.00 0.00 C ATOM 355 CG TYR A 20 8.674 -3.275 -5.949 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.797 -3.872 -5.019 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.819 -3.974 -6.369 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.093 -5.137 -4.478 1.00 0.00 C ATOM 359 CE2 TYR A 20 10.081 -5.263 -5.872 1.00 0.00 C ATOM 360 CZ TYR A 20 9.237 -5.839 -4.906 1.00 0.00 C ATOM 361 OH TYR A 20 9.563 -7.046 -4.371 1.00 0.00 O ATOM 0 H TYR A 20 7.410 -0.743 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 20 9.997 -0.706 -5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.325 -1.760 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.861 -1.777 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.896 -3.357 -4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.499 -3.520 -7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.442 -5.570 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.936 -5.814 -6.235 1.00 0.00 H new ATOM 0 HH TYR A 20 9.247 -7.089 -3.444 1.00 0.00 H new ATOM 371 N ARG A 21 9.212 1.720 -5.979 1.00 0.00 N ATOM 372 CA ARG A 21 8.945 2.991 -6.697 1.00 0.00 C ATOM 373 C ARG A 21 8.802 2.746 -8.212 1.00 0.00 C ATOM 374 O ARG A 21 9.691 2.148 -8.822 1.00 0.00 O ATOM 375 CB ARG A 21 10.054 4.026 -6.417 1.00 0.00 C ATOM 376 CG ARG A 21 9.922 4.684 -5.033 1.00 0.00 C ATOM 377 CD ARG A 21 10.985 5.766 -4.817 1.00 0.00 C ATOM 378 NE ARG A 21 10.720 6.551 -3.593 1.00 0.00 N ATOM 379 CZ ARG A 21 11.257 6.391 -2.399 1.00 0.00 C ATOM 380 NH1 ARG A 21 10.956 7.230 -1.452 1.00 0.00 N ATOM 381 NH2 ARG A 21 12.086 5.427 -2.112 1.00 0.00 N ATOM 0 H ARG A 21 10.052 1.742 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 21 8.003 3.394 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.026 3.539 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.026 4.799 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.930 5.123 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.014 3.923 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.969 5.302 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.008 6.432 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 21 10.041 7.307 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.312 7.999 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.364 7.119 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.348 4.750 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.472 5.350 -1.171 1.00 0.00 H new ATOM 395 N ILE A 22 7.691 3.196 -8.810 1.00 0.00 N ATOM 396 CA ILE A 22 7.304 2.869 -10.204 1.00 0.00 C ATOM 397 C ILE A 22 7.379 4.070 -11.173 1.00 0.00 C ATOM 398 O ILE A 22 6.974 5.175 -10.800 1.00 0.00 O ATOM 399 CB ILE A 22 5.910 2.199 -10.277 1.00 0.00 C ATOM 400 CG1 ILE A 22 4.758 3.145 -9.864 1.00 0.00 C ATOM 401 CG2 ILE A 22 5.911 0.917 -9.444 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.410 2.455 -9.636 1.00 0.00 C ATOM 0 H ILE A 22 7.022 3.806 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 22 8.053 2.152 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 22 5.720 1.949 -11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.044 3.664 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.635 3.904 -10.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.929 0.448 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.663 0.231 -9.834 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.142 1.158 -8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.665 3.198 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.095 1.960 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.509 1.716 -8.841 1.00 0.00 H new ATOM 414 N PRO A 23 7.834 3.872 -12.431 1.00 0.00 N ATOM 415 CA PRO A 23 7.765 4.900 -13.473 1.00 0.00 C ATOM 416 C PRO A 23 6.367 5.187 -14.083 1.00 0.00 C ATOM 417 O PRO A 23 6.065 6.371 -14.267 1.00 0.00 O ATOM 418 CB PRO A 23 8.816 4.521 -14.523 1.00 0.00 C ATOM 419 CG PRO A 23 9.172 3.057 -14.265 1.00 0.00 C ATOM 420 CD PRO A 23 8.687 2.763 -12.845 1.00 0.00 C ATOM 0 HA PRO A 23 7.977 5.864 -13.010 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.424 4.654 -15.531 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.698 5.156 -14.438 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.687 2.402 -14.989 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.246 2.892 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.135 1.824 -12.816 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.533 2.657 -12.166 1.00 0.00 H new ATOM 428 N PRO A 24 5.500 4.202 -14.418 1.00 0.00 N ATOM 429 CA PRO A 24 4.223 4.462 -15.096 1.00 0.00 C ATOM 430 C PRO A 24 3.101 4.945 -14.159 1.00 0.00 C ATOM 431 O PRO A 24 3.152 4.766 -12.938 1.00 0.00 O ATOM 432 CB PRO A 24 3.848 3.143 -15.782 1.00 0.00 C ATOM 433 CG PRO A 24 4.432 2.101 -14.836 1.00 0.00 C ATOM 434 CD PRO A 24 5.730 2.765 -14.384 1.00 0.00 C ATOM 0 HA PRO A 24 4.341 5.283 -15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.769 3.034 -15.889 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.277 3.069 -16.781 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.767 1.895 -13.997 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.614 1.151 -15.339 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.001 2.440 -13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.555 2.490 -15.041 1.00 0.00 H new ATOM 525 N GLY A 30 -3.879 -1.290 -16.193 1.00 0.00 N ATOM 526 CA GLY A 30 -3.606 -0.688 -14.888 1.00 0.00 C ATOM 527 C GLY A 30 -2.139 -0.276 -14.751 1.00 0.00 C ATOM 528 O GLY A 30 -1.701 0.683 -15.386 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.244 0.185 -14.749 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.860 -1.397 -14.100 1.00 0.00 H new ATOM 532 N TYR A 31 -1.380 -1.013 -13.939 1.00 0.00 N ATOM 533 CA TYR A 31 0.043 -0.757 -13.659 1.00 0.00 C ATOM 534 C TYR A 31 0.983 -1.917 -13.989 1.00 0.00 C ATOM 535 O TYR A 31 2.118 -1.653 -14.375 1.00 0.00 O ATOM 536 CB TYR A 31 0.214 -0.432 -12.175 1.00 0.00 C ATOM 537 CG TYR A 31 -0.240 0.952 -11.790 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.537 1.153 -11.287 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.668 2.022 -11.900 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.928 2.438 -10.863 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.283 3.304 -11.466 1.00 0.00 C ATOM 542 CZ TYR A 31 -1.013 3.515 -10.941 1.00 0.00 C ATOM 543 OH TYR A 31 -1.373 4.752 -10.504 1.00 0.00 O ATOM 0 H TYR A 31 -1.743 -1.827 -13.442 1.00 0.00 H new ATOM 0 HA TYR A 31 0.319 0.073 -14.310 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.344 -1.162 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.265 -0.545 -11.909 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.230 0.327 -11.226 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.652 1.860 -12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.924 2.601 -10.479 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.978 4.128 -11.534 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.626 5.374 -10.629 1.00 0.00 H new ATOM 553 N ARG A 32 0.521 -3.164 -13.810 1.00 0.00 N ATOM 554 CA ARG A 32 1.239 -4.445 -13.864 1.00 0.00 C ATOM 555 C ARG A 32 2.581 -4.474 -13.102 1.00 0.00 C ATOM 556 O ARG A 32 3.569 -3.930 -13.579 1.00 0.00 O ATOM 557 CB ARG A 32 1.369 -4.956 -15.322 1.00 0.00 C ATOM 558 CG ARG A 32 0.416 -4.424 -16.419 1.00 0.00 C ATOM 559 CD ARG A 32 0.939 -3.243 -17.253 1.00 0.00 C ATOM 560 NE ARG A 32 1.970 -3.607 -18.245 1.00 0.00 N ATOM 561 CZ ARG A 32 1.844 -4.237 -19.396 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.887 -4.329 -20.162 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.725 -4.762 -19.808 1.00 0.00 N ATOM 0 H ARG A 32 -0.466 -3.314 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 32 0.615 -5.148 -13.313 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.388 -4.746 -15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.259 -6.040 -15.296 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.180 -5.245 -17.096 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.518 -4.123 -15.945 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.100 -2.781 -17.772 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.350 -2.491 -16.579 1.00 0.00 H new ATOM 0 HE ARG A 32 2.921 -3.330 -18.004 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.774 -3.920 -19.868 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.820 -4.811 -21.059 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.113 -4.697 -19.229 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.686 -5.238 -20.709 1.00 0.00 H new ATOM 577 N ALA A 33 2.673 -5.212 -11.985 1.00 0.00 N ATOM 578 CA ALA A 33 3.953 -5.448 -11.280 1.00 0.00 C ATOM 579 C ALA A 33 5.048 -5.984 -12.222 1.00 0.00 C ATOM 580 O ALA A 33 6.220 -5.626 -12.123 1.00 0.00 O ATOM 581 CB ALA A 33 3.730 -6.443 -10.132 1.00 0.00 C ATOM 0 H ALA A 33 1.871 -5.661 -11.543 1.00 0.00 H new ATOM 0 HA ALA A 33 4.296 -4.490 -10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.673 -6.617 -9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.001 -6.034 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.358 -7.385 -10.534 1.00 0.00 H new ATOM 587 N SER A 34 4.607 -6.793 -13.183 1.00 0.00 N ATOM 588 CA SER A 34 5.353 -7.370 -14.296 1.00 0.00 C ATOM 589 C SER A 34 5.959 -6.359 -15.292 1.00 0.00 C ATOM 590 O SER A 34 6.847 -6.731 -16.060 1.00 0.00 O ATOM 591 CB SER A 34 4.358 -8.279 -15.028 1.00 0.00 C ATOM 592 OG SER A 34 3.873 -9.297 -14.169 1.00 0.00 O ATOM 0 H SER A 34 3.630 -7.087 -13.203 1.00 0.00 H new ATOM 0 HA SER A 34 6.221 -7.888 -13.889 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.524 -7.685 -15.401 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.841 -8.729 -15.895 1.00 0.00 H new ATOM 0 HG SER A 34 3.239 -9.863 -14.657 1.00 0.00 H new ATOM 598 N ASP A 35 5.511 -5.097 -15.310 1.00 0.00 N ATOM 599 CA ASP A 35 6.039 -4.032 -16.182 1.00 0.00 C ATOM 600 C ASP A 35 7.272 -3.323 -15.590 1.00 0.00 C ATOM 601 O ASP A 35 8.175 -2.908 -16.321 1.00 0.00 O ATOM 602 CB ASP A 35 4.929 -3.005 -16.433 1.00 0.00 C ATOM 603 CG ASP A 35 5.159 -2.229 -17.733 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.716 -2.744 -18.788 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.728 -1.113 -17.703 1.00 0.00 O ATOM 0 H ASP A 35 4.754 -4.778 -14.706 1.00 0.00 H new ATOM 0 HA ASP A 35 6.362 -4.499 -17.112 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.966 -3.514 -16.478 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.882 -2.308 -15.596 1.00 0.00 H new ATOM 610 N TRP A 36 7.307 -3.208 -14.260 1.00 0.00 N ATOM 611 CA TRP A 36 8.381 -2.606 -13.460 1.00 0.00 C ATOM 612 C TRP A 36 9.175 -3.703 -12.717 1.00 0.00 C ATOM 613 O TRP A 36 9.145 -4.875 -13.105 1.00 0.00 O ATOM 614 CB TRP A 36 7.805 -1.473 -12.572 1.00 0.00 C ATOM 615 CG TRP A 36 6.345 -1.498 -12.228 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.364 -0.986 -13.003 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.677 -2.004 -11.029 1.00 0.00 C ATOM 618 NE1 TRP A 36 4.144 -1.173 -12.398 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.276 -1.759 -11.161 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.107 -2.611 -9.828 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.355 -2.093 -10.158 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.188 -2.955 -8.816 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.815 -2.693 -8.975 1.00 0.00 C ATOM 0 H TRP A 36 6.543 -3.552 -13.678 1.00 0.00 H new ATOM 0 HA TRP A 36 9.119 -2.118 -14.097 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.365 -1.469 -11.637 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.011 -0.526 -13.070 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.516 -0.502 -13.956 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.251 -0.910 -12.815 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.158 -2.815 -9.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.303 -1.891 -10.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.541 -3.424 -7.910 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.119 -2.952 -8.191 1.00 0.00 H new ATOM 634 N LYS A 37 9.934 -3.344 -11.671 1.00 0.00 N ATOM 635 CA LYS A 37 10.591 -4.315 -10.785 1.00 0.00 C ATOM 636 C LYS A 37 9.551 -5.164 -10.058 1.00 0.00 C ATOM 637 O LYS A 37 8.784 -4.695 -9.222 1.00 0.00 O ATOM 638 CB LYS A 37 11.514 -3.603 -9.783 1.00 0.00 C ATOM 639 CG LYS A 37 12.650 -2.750 -10.364 1.00 0.00 C ATOM 640 CD LYS A 37 13.586 -3.495 -11.330 1.00 0.00 C ATOM 641 CE LYS A 37 14.990 -2.886 -11.225 1.00 0.00 C ATOM 642 NZ LYS A 37 15.946 -3.518 -12.168 1.00 0.00 N ATOM 0 H LYS A 37 10.109 -2.372 -11.416 1.00 0.00 H new ATOM 0 HA LYS A 37 11.205 -4.976 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.898 -2.962 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.956 -4.359 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.215 -1.898 -10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.243 -2.351 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.616 -4.556 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.215 -3.415 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.936 -1.816 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.359 -3.000 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.796 -2.924 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.213 -4.458 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.499 -3.615 -13.102 1.00 0.00 H new ATOM 656 N LEU A 38 9.585 -6.441 -10.406 1.00 0.00 N ATOM 657 CA LEU A 38 8.689 -7.492 -9.953 1.00 0.00 C ATOM 658 C LEU A 38 9.270 -8.264 -8.741 1.00 0.00 C ATOM 659 O LEU A 38 8.514 -8.809 -7.937 1.00 0.00 O ATOM 660 CB LEU A 38 8.477 -8.339 -11.226 1.00 0.00 C ATOM 661 CG LEU A 38 7.690 -9.624 -11.020 1.00 0.00 C ATOM 662 CD1 LEU A 38 6.232 -9.370 -10.636 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.706 -10.470 -12.292 1.00 0.00 C ATOM 0 H LEU A 38 10.287 -6.794 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 38 7.739 -7.132 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.961 -7.730 -11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.452 -8.591 -11.643 1.00 0.00 H new ATOM 0 HG LEU A 38 8.178 -10.148 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.720 -10.323 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.194 -8.804 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.741 -8.802 -11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.138 -11.386 -12.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.256 -9.906 -13.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.735 -10.722 -12.548 1.00 0.00 H new ATOM 675 N ASP A 39 10.604 -8.295 -8.600 1.00 0.00 N ATOM 676 CA ASP A 39 11.333 -9.035 -7.547 1.00 0.00 C ATOM 677 C ASP A 39 12.596 -8.301 -7.017 1.00 0.00 C ATOM 678 O ASP A 39 13.398 -8.873 -6.278 1.00 0.00 O ATOM 679 CB ASP A 39 11.668 -10.431 -8.110 1.00 0.00 C ATOM 680 CG ASP A 39 12.160 -11.431 -7.045 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.451 -11.642 -6.033 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.229 -12.057 -7.251 1.00 0.00 O ATOM 0 H ASP A 39 11.228 -7.793 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 39 10.692 -9.115 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.781 -10.839 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.434 -10.328 -8.879 1.00 0.00 H new ATOM 687 N GLN A 40 12.798 -7.032 -7.403 1.00 0.00 N ATOM 688 CA GLN A 40 13.992 -6.214 -7.112 1.00 0.00 C ATOM 689 C GLN A 40 13.605 -4.904 -6.376 1.00 0.00 C ATOM 690 O GLN A 40 13.464 -3.860 -7.020 1.00 0.00 O ATOM 691 CB GLN A 40 14.745 -5.956 -8.430 1.00 0.00 C ATOM 692 CG GLN A 40 15.280 -7.243 -9.087 1.00 0.00 C ATOM 693 CD GLN A 40 15.780 -7.015 -10.512 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.332 -5.983 -10.866 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.580 -7.959 -11.406 1.00 0.00 N ATOM 0 H GLN A 40 12.105 -6.523 -7.951 1.00 0.00 H new ATOM 0 HA GLN A 40 14.658 -6.749 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.079 -5.450 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.579 -5.280 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.093 -7.644 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.491 -7.995 -9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.122 -8.829 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.883 -7.821 -12.370 1.00 0.00 H new ATOM 704 N PRO A 41 13.356 -4.943 -5.050 1.00 0.00 N ATOM 705 CA PRO A 41 12.772 -3.824 -4.302 1.00 0.00 C ATOM 706 C PRO A 41 13.702 -2.618 -4.122 1.00 0.00 C ATOM 707 O PRO A 41 14.931 -2.732 -4.111 1.00 0.00 O ATOM 708 CB PRO A 41 12.320 -4.409 -2.959 1.00 0.00 C ATOM 709 CG PRO A 41 13.251 -5.603 -2.762 1.00 0.00 C ATOM 710 CD PRO A 41 13.462 -6.113 -4.187 1.00 0.00 C ATOM 0 HA PRO A 41 11.941 -3.405 -4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.420 -3.684 -2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.274 -4.715 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.191 -5.309 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.802 -6.364 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.437 -6.588 -4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.713 -6.861 -4.449 1.00 0.00 H new ATOM 718 N ASP A 42 13.082 -1.452 -3.933 1.00 0.00 N ATOM 719 CA ASP A 42 13.728 -0.171 -3.623 1.00 0.00 C ATOM 720 C ASP A 42 13.794 0.088 -2.105 1.00 0.00 C ATOM 721 O ASP A 42 14.721 0.744 -1.622 1.00 0.00 O ATOM 722 CB ASP A 42 12.950 0.936 -4.353 1.00 0.00 C ATOM 723 CG ASP A 42 13.571 2.329 -4.158 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.715 2.554 -4.621 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.893 3.210 -3.579 1.00 0.00 O ATOM 0 H ASP A 42 12.067 -1.369 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 42 14.763 -0.189 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.913 0.706 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.921 0.948 -3.993 1.00 0.00 H new ATOM 730 N TRP A 43 12.846 -0.474 -1.347 1.00 0.00 N ATOM 731 CA TRP A 43 12.822 -0.489 0.119 1.00 0.00 C ATOM 732 C TRP A 43 12.149 -1.767 0.639 1.00 0.00 C ATOM 733 O TRP A 43 11.256 -2.316 -0.009 1.00 0.00 O ATOM 734 CB TRP A 43 12.096 0.767 0.628 1.00 0.00 C ATOM 735 CG TRP A 43 11.886 0.862 2.111 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.676 1.530 2.982 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.791 0.313 2.912 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.141 1.446 4.255 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.958 0.736 4.264 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.664 -0.487 2.628 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.023 0.432 5.265 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.731 -0.814 3.627 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.897 -0.342 4.939 1.00 0.00 C ATOM 0 H TRP A 43 12.042 -0.950 -1.755 1.00 0.00 H new ATOM 0 HA TRP A 43 13.845 -0.483 0.496 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.661 1.642 0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.122 0.820 0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.586 2.050 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.568 1.858 5.084 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.515 -0.855 1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.167 0.789 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.880 -1.433 3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.161 -0.573 5.695 1.00 0.00 H new ATOM 754 N THR A 44 12.549 -2.233 1.821 1.00 0.00 N ATOM 755 CA THR A 44 11.922 -3.349 2.542 1.00 0.00 C ATOM 756 C THR A 44 11.825 -3.058 4.037 1.00 0.00 C ATOM 757 O THR A 44 12.661 -2.352 4.613 1.00 0.00 O ATOM 758 CB THR A 44 12.678 -4.671 2.321 1.00 0.00 C ATOM 759 OG1 THR A 44 14.034 -4.562 2.708 1.00 0.00 O ATOM 760 CG2 THR A 44 12.656 -5.134 0.865 1.00 0.00 C ATOM 0 H THR A 44 13.343 -1.835 2.322 1.00 0.00 H new ATOM 0 HA THR A 44 10.916 -3.456 2.136 1.00 0.00 H new ATOM 0 HB THR A 44 12.155 -5.401 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.487 -5.418 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.205 -6.071 0.773 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.624 -5.285 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.123 -4.376 0.235 1.00 0.00 H new ATOM 768 N GLY A 45 10.788 -3.601 4.677 1.00 0.00 N ATOM 769 CA GLY A 45 10.498 -3.336 6.084 1.00 0.00 C ATOM 770 C GLY A 45 9.193 -3.975 6.548 1.00 0.00 C ATOM 771 O GLY A 45 8.961 -5.165 6.326 1.00 0.00 O ATOM 0 H GLY A 45 10.126 -4.237 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.318 -3.710 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.447 -2.259 6.243 1.00 0.00 H new ATOM 775 N ARG A 46 8.362 -3.175 7.217 1.00 0.00 N ATOM 776 CA ARG A 46 7.121 -3.563 7.911 1.00 0.00 C ATOM 777 C ARG A 46 5.960 -2.659 7.475 1.00 0.00 C ATOM 778 O ARG A 46 6.180 -1.511 7.091 1.00 0.00 O ATOM 779 CB ARG A 46 7.400 -3.474 9.425 1.00 0.00 C ATOM 780 CG ARG A 46 6.366 -4.192 10.303 1.00 0.00 C ATOM 781 CD ARG A 46 6.725 -4.035 11.785 1.00 0.00 C ATOM 782 NE ARG A 46 5.810 -4.810 12.649 1.00 0.00 N ATOM 783 CZ ARG A 46 5.968 -6.052 13.073 1.00 0.00 C ATOM 784 NH1 ARG A 46 5.089 -6.592 13.867 1.00 0.00 N ATOM 785 NH2 ARG A 46 6.987 -6.786 12.726 1.00 0.00 N ATOM 0 H ARG A 46 8.544 -2.175 7.297 1.00 0.00 H new ATOM 0 HA ARG A 46 6.823 -4.580 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.385 -3.896 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.438 -2.424 9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.373 -3.782 10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.328 -5.249 10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.750 -4.367 11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.683 -2.981 12.061 1.00 0.00 H new ATOM 0 HE ARG A 46 4.961 -4.333 12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.274 -6.056 14.165 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.216 -7.551 14.191 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.701 -6.406 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.071 -7.740 13.076 1.00 0.00 H new ATOM 799 N LEU A 47 4.719 -3.140 7.554 1.00 0.00 N ATOM 800 CA LEU A 47 3.520 -2.320 7.331 1.00 0.00 C ATOM 801 C LEU A 47 2.655 -2.263 8.588 1.00 0.00 C ATOM 802 O LEU A 47 2.402 -3.297 9.209 1.00 0.00 O ATOM 803 CB LEU A 47 2.719 -2.859 6.127 1.00 0.00 C ATOM 804 CG LEU A 47 1.389 -2.124 5.866 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.569 -0.666 5.451 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.622 -2.815 4.753 1.00 0.00 C ATOM 0 H LEU A 47 4.512 -4.114 7.775 1.00 0.00 H new ATOM 0 HA LEU A 47 3.836 -1.302 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.339 -2.790 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.510 -3.916 6.289 1.00 0.00 H new ATOM 0 HG LEU A 47 0.850 -2.150 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.592 -0.212 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.091 -0.125 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.153 -0.619 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.316 -2.288 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.219 -2.809 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.411 -3.845 5.041 1.00 0.00 H new ATOM 818 N ARG A 48 2.115 -1.080 8.894 1.00 0.00 N ATOM 819 CA ARG A 48 1.002 -0.917 9.836 1.00 0.00 C ATOM 820 C ARG A 48 -0.053 0.048 9.282 1.00 0.00 C ATOM 821 O ARG A 48 0.078 1.266 9.364 1.00 0.00 O ATOM 822 CB ARG A 48 1.555 -0.532 11.216 1.00 0.00 C ATOM 823 CG ARG A 48 0.483 -0.688 12.306 1.00 0.00 C ATOM 824 CD ARG A 48 1.084 -0.634 13.717 1.00 0.00 C ATOM 825 NE ARG A 48 1.742 0.658 13.966 1.00 0.00 N ATOM 826 CZ ARG A 48 2.480 0.994 15.005 1.00 0.00 C ATOM 827 NH1 ARG A 48 3.233 2.050 14.935 1.00 0.00 N ATOM 828 NH2 ARG A 48 2.489 0.302 16.111 1.00 0.00 N ATOM 0 H ARG A 48 2.440 -0.201 8.492 1.00 0.00 H new ATOM 0 HA ARG A 48 0.473 -1.861 9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.414 -1.159 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.909 0.499 11.195 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.261 0.102 12.198 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.037 -1.636 12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.299 -0.794 14.456 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.805 -1.442 13.839 1.00 0.00 H new ATOM 0 HE ARG A 48 1.612 1.376 13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.249 2.609 14.082 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.808 2.320 15.733 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.910 -0.534 16.194 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.075 0.597 16.892 1.00 0.00 H new ATOM 842 N ILE A 49 -1.114 -0.515 8.711 1.00 0.00 N ATOM 843 CA ILE A 49 -2.322 0.197 8.280 1.00 0.00 C ATOM 844 C ILE A 49 -3.053 0.725 9.519 1.00 0.00 C ATOM 845 O ILE A 49 -3.287 -0.016 10.475 1.00 0.00 O ATOM 846 CB ILE A 49 -3.240 -0.734 7.451 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.476 -1.313 6.240 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.518 -0.011 6.996 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.335 -2.130 5.268 1.00 0.00 C ATOM 0 H ILE A 49 -1.162 -1.517 8.527 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.044 1.035 7.640 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.543 -1.559 8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.015 -0.491 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.667 -1.945 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.137 -0.696 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.074 0.330 7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.251 0.846 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.713 -2.495 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.775 -2.977 5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.129 -1.500 4.866 1.00 0.00 H new ATOM 861 N THR A 50 -3.449 1.995 9.489 1.00 0.00 N ATOM 862 CA THR A 50 -4.182 2.680 10.569 1.00 0.00 C ATOM 863 C THR A 50 -5.378 3.458 10.000 1.00 0.00 C ATOM 864 O THR A 50 -5.527 3.546 8.784 1.00 0.00 O ATOM 865 CB THR A 50 -3.249 3.623 11.348 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.840 4.680 10.520 1.00 0.00 O ATOM 867 CG2 THR A 50 -1.966 2.966 11.854 1.00 0.00 C ATOM 0 H THR A 50 -3.266 2.602 8.690 1.00 0.00 H new ATOM 0 HA THR A 50 -4.558 1.924 11.258 1.00 0.00 H new ATOM 0 HB THR A 50 -3.837 3.948 12.206 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.382 5.359 11.058 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.368 3.702 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.218 2.144 12.524 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.395 2.583 11.008 1.00 0.00 H new ATOM 875 N SER A 51 -6.245 4.031 10.839 1.00 0.00 N ATOM 876 CA SER A 51 -7.324 4.938 10.436 1.00 0.00 C ATOM 877 C SER A 51 -7.736 5.896 11.550 1.00 0.00 C ATOM 878 O SER A 51 -7.982 5.500 12.686 1.00 0.00 O ATOM 879 CB SER A 51 -8.560 4.163 9.984 1.00 0.00 C ATOM 880 OG SER A 51 -9.616 5.067 9.699 1.00 0.00 O ATOM 0 H SER A 51 -6.215 3.872 11.846 1.00 0.00 H new ATOM 0 HA SER A 51 -6.923 5.521 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.326 3.572 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.867 3.464 10.762 1.00 0.00 H new ATOM 0 HG SER A 51 -10.340 4.591 9.242 1.00 0.00 H new ATOM 886 N LYS A 52 -7.900 7.165 11.184 1.00 0.00 N ATOM 887 CA LYS A 52 -8.505 8.237 11.993 1.00 0.00 C ATOM 888 C LYS A 52 -10.039 8.344 11.770 1.00 0.00 C ATOM 889 O LYS A 52 -10.645 9.407 11.898 1.00 0.00 O ATOM 890 CB LYS A 52 -7.669 9.491 11.705 1.00 0.00 C ATOM 891 CG LYS A 52 -7.912 10.684 12.629 1.00 0.00 C ATOM 892 CD LYS A 52 -7.326 11.975 12.052 1.00 0.00 C ATOM 893 CE LYS A 52 -5.852 11.915 11.632 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.433 13.123 10.878 1.00 0.00 N ATOM 0 H LYS A 52 -7.601 7.498 10.267 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.466 8.044 13.065 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.614 9.222 11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.863 9.805 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.983 10.809 12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.467 10.486 13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.919 12.264 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.440 12.766 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.228 11.808 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.687 11.030 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.430 13.038 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.010 13.213 10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.565 13.966 11.472 1.00 0.00 H new ATOM 908 N GLY A 53 -10.671 7.223 11.409 1.00 0.00 N ATOM 909 CA GLY A 53 -12.095 7.088 11.066 1.00 0.00 C ATOM 910 C GLY A 53 -12.404 7.568 9.641 1.00 0.00 C ATOM 911 O GLY A 53 -12.110 8.713 9.297 1.00 0.00 O ATOM 0 H GLY A 53 -10.177 6.333 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.392 6.044 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.692 7.660 11.776 1.00 0.00 H new ATOM 915 N LYS A 54 -12.977 6.688 8.799 1.00 0.00 N ATOM 916 CA LYS A 54 -13.278 6.876 7.354 1.00 0.00 C ATOM 917 C LYS A 54 -12.085 7.174 6.433 1.00 0.00 C ATOM 918 O LYS A 54 -12.153 6.886 5.239 1.00 0.00 O ATOM 919 CB LYS A 54 -14.447 7.870 7.216 1.00 0.00 C ATOM 920 CG LYS A 54 -15.068 7.915 5.815 1.00 0.00 C ATOM 921 CD LYS A 54 -16.132 9.015 5.760 1.00 0.00 C ATOM 922 CE LYS A 54 -16.741 9.105 4.357 1.00 0.00 C ATOM 923 NZ LYS A 54 -17.735 10.210 4.273 1.00 0.00 N ATOM 0 H LYS A 54 -13.263 5.764 9.124 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.579 5.902 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.221 7.606 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.094 8.868 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.296 8.105 5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.515 6.951 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.915 8.808 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.688 9.972 6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.951 9.266 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.222 8.160 4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.131 10.248 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.500 10.041 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.269 11.114 4.491 1.00 0.00 H new ATOM 937 N THR A 55 -10.962 7.611 6.984 1.00 0.00 N ATOM 938 CA THR A 55 -9.690 7.757 6.281 1.00 0.00 C ATOM 939 C THR A 55 -8.686 6.802 6.890 1.00 0.00 C ATOM 940 O THR A 55 -8.333 6.934 8.064 1.00 0.00 O ATOM 941 CB THR A 55 -9.172 9.203 6.338 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.222 10.149 6.235 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.269 9.429 5.136 1.00 0.00 C ATOM 0 H THR A 55 -10.906 7.884 7.965 1.00 0.00 H new ATOM 0 HA THR A 55 -9.838 7.517 5.228 1.00 0.00 H new ATOM 0 HB THR A 55 -8.660 9.335 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.851 11.055 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.888 10.450 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.434 8.729 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.837 9.270 4.219 1.00 0.00 H new ATOM 951 N ALA A 56 -8.266 5.810 6.110 1.00 0.00 N ATOM 952 CA ALA A 56 -7.165 4.931 6.480 1.00 0.00 C ATOM 953 C ALA A 56 -5.834 5.490 5.956 1.00 0.00 C ATOM 954 O ALA A 56 -5.798 6.296 5.025 1.00 0.00 O ATOM 955 CB ALA A 56 -7.470 3.478 6.083 1.00 0.00 C ATOM 0 H ALA A 56 -8.681 5.594 5.203 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.054 4.903 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.634 2.840 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.373 3.143 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.619 3.419 5.005 1.00 0.00 H new ATOM 961 N TYR A 57 -4.741 5.079 6.587 1.00 0.00 N ATOM 962 CA TYR A 57 -3.379 5.511 6.297 1.00 0.00 C ATOM 963 C TYR A 57 -2.491 4.264 6.184 1.00 0.00 C ATOM 964 O TYR A 57 -2.336 3.511 7.151 1.00 0.00 O ATOM 965 CB TYR A 57 -2.897 6.483 7.391 1.00 0.00 C ATOM 966 CG TYR A 57 -3.709 7.765 7.543 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.224 8.973 7.004 1.00 0.00 C ATOM 968 CD2 TYR A 57 -4.936 7.761 8.242 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.978 10.158 7.128 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.699 8.937 8.355 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.221 10.142 7.799 1.00 0.00 C ATOM 972 OH TYR A 57 -5.956 11.281 7.929 1.00 0.00 O ATOM 0 H TYR A 57 -4.782 4.404 7.351 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.331 6.052 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.901 5.957 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.862 6.753 7.181 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.272 8.991 6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.292 6.847 8.694 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.604 11.080 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.650 8.917 8.867 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.782 11.083 8.417 1.00 0.00 H new ATOM 982 N ILE A 58 -1.915 4.030 5.002 1.00 0.00 N ATOM 983 CA ILE A 58 -1.023 2.892 4.725 1.00 0.00 C ATOM 984 C ILE A 58 0.396 3.236 5.205 1.00 0.00 C ATOM 985 O ILE A 58 1.252 3.625 4.409 1.00 0.00 O ATOM 986 CB ILE A 58 -1.040 2.510 3.223 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.435 2.417 2.564 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.284 1.189 3.019 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.363 1.343 3.133 1.00 0.00 C ATOM 0 H ILE A 58 -2.056 4.635 4.193 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.380 2.018 5.271 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.548 3.341 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.927 3.385 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.302 2.230 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.297 0.922 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.748 1.305 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.765 0.401 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.314 1.364 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.901 0.363 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.536 1.536 4.192 1.00 0.00 H new ATOM 1001 N LYS A 59 0.638 3.187 6.519 1.00 0.00 N ATOM 1002 CA LYS A 59 1.891 3.672 7.119 1.00 0.00 C ATOM 1003 C LYS A 59 2.952 2.571 7.099 1.00 0.00 C ATOM 1004 O LYS A 59 2.851 1.572 7.815 1.00 0.00 O ATOM 1005 CB LYS A 59 1.648 4.232 8.533 1.00 0.00 C ATOM 1006 CG LYS A 59 0.559 5.319 8.574 1.00 0.00 C ATOM 1007 CD LYS A 59 0.284 5.807 10.000 1.00 0.00 C ATOM 1008 CE LYS A 59 1.335 6.801 10.508 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.950 8.201 10.217 1.00 0.00 N ATOM 0 H LYS A 59 -0.025 2.812 7.197 1.00 0.00 H new ATOM 0 HA LYS A 59 2.271 4.499 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.363 3.416 9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.580 4.645 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.866 6.163 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.361 4.926 8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.699 6.277 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.250 4.949 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.465 6.675 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.296 6.584 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.536 8.847 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.095 8.398 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.052 8.342 10.457 1.00 0.00 H new ATOM 1023 N LEU A 60 3.962 2.742 6.253 1.00 0.00 N ATOM 1024 CA LEU A 60 5.087 1.822 6.098 1.00 0.00 C ATOM 1025 C LEU A 60 6.197 2.187 7.090 1.00 0.00 C ATOM 1026 O LEU A 60 6.573 3.355 7.206 1.00 0.00 O ATOM 1027 CB LEU A 60 5.570 1.861 4.640 1.00 0.00 C ATOM 1028 CG LEU A 60 4.594 1.191 3.653 1.00 0.00 C ATOM 1029 CD1 LEU A 60 4.835 1.708 2.236 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.783 -0.327 3.652 1.00 0.00 C ATOM 0 H LEU A 60 4.024 3.551 5.635 1.00 0.00 H new ATOM 0 HA LEU A 60 4.780 0.801 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.720 2.899 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.539 1.367 4.573 1.00 0.00 H new ATOM 0 HG LEU A 60 3.580 1.434 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.139 1.226 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.681 2.787 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.857 1.480 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.084 -0.780 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.804 -0.566 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.595 -0.718 4.652 1.00 0.00 H new ATOM 1042 N GLU A 61 6.714 1.198 7.814 1.00 0.00 N ATOM 1043 CA GLU A 61 7.559 1.384 9.000 1.00 0.00 C ATOM 1044 C GLU A 61 8.858 0.561 8.926 1.00 0.00 C ATOM 1045 O GLU A 61 8.907 -0.511 8.318 1.00 0.00 O ATOM 1046 CB GLU A 61 6.775 1.024 10.277 1.00 0.00 C ATOM 1047 CG GLU A 61 5.486 1.845 10.481 1.00 0.00 C ATOM 1048 CD GLU A 61 4.824 1.614 11.857 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.033 2.482 12.306 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.055 0.561 12.498 1.00 0.00 O ATOM 0 H GLU A 61 6.555 0.216 7.589 1.00 0.00 H new ATOM 0 HA GLU A 61 7.842 2.436 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.517 -0.034 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.424 1.168 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.717 2.904 10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.774 1.591 9.696 1.00 0.00 H new ATOM 1057 N ASP A 62 9.923 1.032 9.576 1.00 0.00 N ATOM 1058 CA ASP A 62 11.184 0.319 9.686 1.00 0.00 C ATOM 1059 C ASP A 62 11.023 -0.896 10.620 1.00 0.00 C ATOM 1060 O ASP A 62 10.482 -0.782 11.724 1.00 0.00 O ATOM 1061 CB ASP A 62 12.249 1.311 10.167 1.00 0.00 C ATOM 1062 CG ASP A 62 13.585 0.614 10.408 1.00 0.00 C ATOM 1063 OD1 ASP A 62 14.440 0.582 9.492 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.739 0.060 11.516 1.00 0.00 O ATOM 0 H ASP A 62 9.927 1.937 10.047 1.00 0.00 H new ATOM 0 HA ASP A 62 11.501 -0.080 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.376 2.100 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.914 1.790 11.087 1.00 0.00 H new ATOM 1069 N LYS A 63 11.510 -2.062 10.185 1.00 0.00 N ATOM 1070 CA LYS A 63 11.345 -3.355 10.879 1.00 0.00 C ATOM 1071 C LYS A 63 12.052 -3.418 12.249 1.00 0.00 C ATOM 1072 O LYS A 63 11.776 -4.319 13.043 1.00 0.00 O ATOM 1073 CB LYS A 63 11.818 -4.457 9.908 1.00 0.00 C ATOM 1074 CG LYS A 63 11.452 -5.891 10.328 1.00 0.00 C ATOM 1075 CD LYS A 63 11.952 -6.941 9.325 1.00 0.00 C ATOM 1076 CE LYS A 63 11.174 -6.936 8.004 1.00 0.00 C ATOM 1077 NZ LYS A 63 11.729 -7.937 7.060 1.00 0.00 N ATOM 0 H LYS A 63 12.044 -2.141 9.320 1.00 0.00 H new ATOM 0 HA LYS A 63 10.295 -3.499 11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.391 -4.262 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.901 -4.389 9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.878 -6.099 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.370 -5.973 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.007 -6.762 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.879 -7.930 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.123 -7.154 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.217 -5.944 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.136 -7.976 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.698 -7.666 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.743 -8.872 7.514 1.00 0.00 H new ATOM 1091 N VAL A 64 12.942 -2.468 12.544 1.00 0.00 N ATOM 1092 CA VAL A 64 13.818 -2.438 13.725 1.00 0.00 C ATOM 1093 C VAL A 64 13.355 -1.391 14.733 1.00 0.00 C ATOM 1094 O VAL A 64 13.385 -1.654 15.937 1.00 0.00 O ATOM 1095 CB VAL A 64 15.287 -2.166 13.321 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.244 -2.643 14.418 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.689 -2.845 12.002 1.00 0.00 C ATOM 0 H VAL A 64 13.081 -1.659 11.939 1.00 0.00 H new ATOM 0 HA VAL A 64 13.760 -3.420 14.195 1.00 0.00 H new ATOM 0 HB VAL A 64 15.360 -1.087 13.183 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.272 -2.443 14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.028 -2.112 15.345 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.113 -3.714 14.575 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.730 -2.614 11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.569 -3.924 12.097 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.053 -2.479 11.196 1.00 0.00 H new ATOM 1107 N SER A 65 12.889 -0.230 14.252 1.00 0.00 N ATOM 1108 CA SER A 65 12.622 0.940 15.102 1.00 0.00 C ATOM 1109 C SER A 65 11.227 1.556 14.923 1.00 0.00 C ATOM 1110 O SER A 65 10.884 2.508 15.629 1.00 0.00 O ATOM 1111 CB SER A 65 13.712 2.000 14.881 1.00 0.00 C ATOM 1112 OG SER A 65 14.992 1.492 15.237 1.00 0.00 O ATOM 0 H SER A 65 12.687 -0.075 13.264 1.00 0.00 H new ATOM 0 HA SER A 65 12.644 0.578 16.130 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.717 2.310 13.836 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.489 2.886 15.476 1.00 0.00 H new ATOM 0 HG SER A 65 15.671 2.182 15.087 1.00 0.00 H new ATOM 1118 N GLY A 66 10.407 1.042 13.998 1.00 0.00 N ATOM 1119 CA GLY A 66 9.050 1.537 13.729 1.00 0.00 C ATOM 1120 C GLY A 66 8.989 2.914 13.049 1.00 0.00 C ATOM 1121 O GLY A 66 7.923 3.528 13.001 1.00 0.00 O ATOM 0 H GLY A 66 10.672 0.256 13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.533 0.813 13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.504 1.588 14.671 1.00 0.00 H new ATOM 1125 N GLU A 67 10.117 3.424 12.544 1.00 0.00 N ATOM 1126 CA GLU A 67 10.219 4.768 11.949 1.00 0.00 C ATOM 1127 C GLU A 67 9.522 4.836 10.580 1.00 0.00 C ATOM 1128 O GLU A 67 9.618 3.896 9.790 1.00 0.00 O ATOM 1129 CB GLU A 67 11.689 5.199 11.823 1.00 0.00 C ATOM 1130 CG GLU A 67 12.387 5.323 13.184 1.00 0.00 C ATOM 1131 CD GLU A 67 13.809 5.895 13.027 1.00 0.00 C ATOM 1132 OE1 GLU A 67 14.767 5.108 12.834 1.00 0.00 O ATOM 1133 OE2 GLU A 67 13.980 7.137 13.102 1.00 0.00 O ATOM 0 H GLU A 67 10.999 2.911 12.535 1.00 0.00 H new ATOM 0 HA GLU A 67 9.708 5.460 12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.225 4.475 11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.740 6.156 11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.802 5.969 13.839 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.436 4.345 13.662 1.00 0.00 H new ATOM 1140 N LEU A 68 8.826 5.940 10.284 1.00 0.00 N ATOM 1141 CA LEU A 68 8.011 6.070 9.071 1.00 0.00 C ATOM 1142 C LEU A 68 8.876 6.192 7.802 1.00 0.00 C ATOM 1143 O LEU A 68 9.701 7.100 7.679 1.00 0.00 O ATOM 1144 CB LEU A 68 7.050 7.268 9.224 1.00 0.00 C ATOM 1145 CG LEU A 68 5.955 7.330 8.140 1.00 0.00 C ATOM 1146 CD1 LEU A 68 4.875 6.272 8.368 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.269 8.695 8.160 1.00 0.00 C ATOM 0 H LEU A 68 8.812 6.768 10.879 1.00 0.00 H new ATOM 0 HA LEU A 68 7.424 5.160 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.576 7.218 10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.628 8.192 9.196 1.00 0.00 H new ATOM 0 HG LEU A 68 6.447 7.152 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.121 6.347 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.326 5.280 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.406 6.434 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.498 8.726 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.813 8.859 9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.005 9.475 7.968 1.00 0.00 H new ATOM 1159 N PHE A 69 8.635 5.307 6.833 1.00 0.00 N ATOM 1160 CA PHE A 69 9.192 5.358 5.476 1.00 0.00 C ATOM 1161 C PHE A 69 8.276 6.148 4.526 1.00 0.00 C ATOM 1162 O PHE A 69 8.721 7.102 3.885 1.00 0.00 O ATOM 1163 CB PHE A 69 9.434 3.919 4.996 1.00 0.00 C ATOM 1164 CG PHE A 69 9.609 3.782 3.496 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.768 2.919 2.773 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.580 4.535 2.813 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.885 2.816 1.381 1.00 0.00 C ATOM 1168 CE2 PHE A 69 10.685 4.446 1.413 1.00 0.00 C ATOM 1169 CZ PHE A 69 9.831 3.591 0.690 1.00 0.00 C ATOM 0 H PHE A 69 8.023 4.503 6.975 1.00 0.00 H new ATOM 0 HA PHE A 69 10.143 5.891 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.323 3.528 5.491 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.595 3.298 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.027 2.331 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.246 5.183 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.245 2.138 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.424 5.036 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.903 3.532 -0.386 1.00 0.00 H new ATOM 1179 N ALA A 70 6.994 5.779 4.467 1.00 0.00 N ATOM 1180 CA ALA A 70 5.970 6.430 3.650 1.00 0.00 C ATOM 1181 C ALA A 70 4.573 6.248 4.259 1.00 0.00 C ATOM 1182 O ALA A 70 4.344 5.334 5.054 1.00 0.00 O ATOM 1183 CB ALA A 70 6.001 5.848 2.230 1.00 0.00 C ATOM 0 H ALA A 70 6.629 4.993 5.005 1.00 0.00 H new ATOM 0 HA ALA A 70 6.185 7.498 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.238 6.333 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.982 6.020 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.805 4.777 2.272 1.00 0.00 H new ATOM 1189 N GLN A 71 3.626 7.088 3.843 1.00 0.00 N ATOM 1190 CA GLN A 71 2.202 6.920 4.141 1.00 0.00 C ATOM 1191 C GLN A 71 1.332 7.352 2.959 1.00 0.00 C ATOM 1192 O GLN A 71 1.579 8.400 2.362 1.00 0.00 O ATOM 1193 CB GLN A 71 1.821 7.650 5.441 1.00 0.00 C ATOM 1194 CG GLN A 71 2.108 9.165 5.442 1.00 0.00 C ATOM 1195 CD GLN A 71 1.825 9.819 6.792 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.159 9.275 7.663 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.331 11.009 7.031 1.00 0.00 N ATOM 0 H GLN A 71 3.828 7.916 3.282 1.00 0.00 H new ATOM 0 HA GLN A 71 2.012 5.859 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.758 7.496 5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.361 7.192 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.151 9.333 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.500 9.646 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.889 11.479 6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.166 11.462 7.930 1.00 0.00 H new ATOM 1206 N ALA A 72 0.304 6.563 2.636 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.736 6.925 1.671 1.00 0.00 C ATOM 1208 C ALA A 72 -2.098 7.054 2.388 1.00 0.00 C ATOM 1209 O ALA A 72 -2.560 6.057 2.954 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.795 5.876 0.554 1.00 0.00 C ATOM 0 H ALA A 72 0.169 5.639 3.045 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.497 7.889 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.570 6.150 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.168 5.831 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.025 4.901 0.983 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.750 8.231 2.390 1.00 0.00 N ATOM 1217 CA PRO A 73 -4.109 8.388 2.909 1.00 0.00 C ATOM 1218 C PRO A 73 -5.151 7.899 1.887 1.00 0.00 C ATOM 1219 O PRO A 73 -5.022 8.163 0.691 1.00 0.00 O ATOM 1220 CB PRO A 73 -4.246 9.883 3.207 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.352 10.535 2.149 1.00 0.00 C ATOM 1222 CD PRO A 73 -2.226 9.518 1.946 1.00 0.00 C ATOM 0 HA PRO A 73 -4.285 7.789 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.280 10.217 3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.915 10.124 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.897 10.719 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.966 11.496 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.925 9.475 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.342 9.797 2.520 1.00 0.00 H new ATOM 1230 N VAL A 74 -6.204 7.216 2.349 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.296 6.682 1.510 1.00 0.00 C ATOM 1232 C VAL A 74 -8.666 7.096 2.021 1.00 0.00 C ATOM 1233 O VAL A 74 -8.960 6.922 3.197 1.00 0.00 O ATOM 1234 CB VAL A 74 -7.190 5.154 1.359 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.275 4.323 2.636 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -8.231 4.594 0.385 1.00 0.00 C ATOM 0 H VAL A 74 -6.329 7.011 3.340 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.181 7.123 0.520 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.173 5.050 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.187 3.265 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.466 4.607 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.233 4.503 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.116 3.513 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.232 4.829 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.087 5.041 -0.598 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.521 7.596 1.125 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.890 8.044 1.431 1.00 0.00 C ATOM 1248 C GLU A 75 -11.969 7.211 0.704 1.00 0.00 C ATOM 1249 O GLU A 75 -13.165 7.477 0.850 1.00 0.00 O ATOM 1250 CB GLU A 75 -11.037 9.536 1.072 1.00 0.00 C ATOM 1251 CG GLU A 75 -10.195 10.464 1.954 1.00 0.00 C ATOM 1252 CD GLU A 75 -10.377 11.935 1.531 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -9.541 12.456 0.751 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -11.355 12.584 1.973 1.00 0.00 O ATOM 0 H GLU A 75 -9.278 7.705 0.140 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.049 7.898 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.751 9.680 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.086 9.820 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.485 10.343 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.143 10.187 1.881 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.563 6.226 -0.108 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.423 5.299 -0.842 1.00 0.00 C ATOM 1263 C GLN A 76 -11.646 4.038 -1.258 1.00 0.00 C ATOM 1264 O GLN A 76 -10.489 4.138 -1.675 1.00 0.00 O ATOM 1265 CB GLN A 76 -13.057 5.994 -2.068 1.00 0.00 C ATOM 1266 CG GLN A 76 -12.149 6.299 -3.277 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.991 7.256 -2.991 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -11.110 8.468 -3.088 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.825 6.751 -2.640 1.00 0.00 N ATOM 0 H GLN A 76 -10.573 6.048 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.230 4.987 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.880 5.370 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.492 6.935 -1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.741 5.360 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.761 6.721 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.711 5.741 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.036 7.370 -2.453 1.00 0.00 H new ATOM 1278 N TYR A 77 -12.286 2.869 -1.204 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.718 1.593 -1.660 1.00 0.00 C ATOM 1280 C TYR A 77 -12.678 0.824 -2.594 1.00 0.00 C ATOM 1281 O TYR A 77 -13.820 0.571 -2.192 1.00 0.00 O ATOM 1282 CB TYR A 77 -11.308 0.730 -0.455 1.00 0.00 C ATOM 1283 CG TYR A 77 -10.516 -0.497 -0.852 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -10.987 -1.809 -0.659 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -9.271 -0.287 -1.452 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -10.209 -2.899 -1.099 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -8.485 -1.364 -1.886 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.958 -2.681 -1.717 1.00 0.00 C ATOM 1289 OH TYR A 77 -8.218 -3.728 -2.162 1.00 0.00 O ATOM 0 H TYR A 77 -13.233 2.778 -0.835 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.828 1.822 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.714 1.333 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -12.203 0.420 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.938 -1.980 -0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.908 0.722 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.572 -3.907 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.524 -1.186 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.652 -4.568 -1.905 1.00 0.00 H new ATOM 1299 N PRO A 78 -12.244 0.417 -3.808 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.991 0.797 -4.479 1.00 0.00 C ATOM 1301 C PRO A 78 -10.951 2.293 -4.858 1.00 0.00 C ATOM 1302 O PRO A 78 -11.981 2.971 -4.890 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.912 -0.104 -5.717 1.00 0.00 C ATOM 1304 CG PRO A 78 -12.380 -0.329 -6.074 1.00 0.00 C ATOM 1305 CD PRO A 78 -13.048 -0.408 -4.702 1.00 0.00 C ATOM 0 HA PRO A 78 -10.135 0.661 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.368 0.375 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.401 -1.042 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.781 0.488 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.522 -1.245 -6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.075 -0.045 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.090 -1.438 -4.348 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.755 2.812 -5.151 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.533 4.207 -5.558 1.00 0.00 C ATOM 1315 C GLY A 79 -8.149 4.460 -6.173 1.00 0.00 C ATOM 1316 O GLY A 79 -7.526 3.548 -6.716 1.00 0.00 O ATOM 0 H GLY A 79 -8.895 2.265 -5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.299 4.491 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.658 4.853 -4.689 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.650 5.698 -6.073 1.00 0.00 N ATOM 1321 CA ILE A 80 -6.293 6.078 -6.518 1.00 0.00 C ATOM 1322 C ILE A 80 -5.237 5.817 -5.437 1.00 0.00 C ATOM 1323 O ILE A 80 -4.071 5.579 -5.750 1.00 0.00 O ATOM 1324 CB ILE A 80 -6.283 7.550 -7.000 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.957 8.005 -7.649 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.598 8.543 -5.864 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -4.477 7.119 -8.804 1.00 0.00 C ATOM 0 H ILE A 80 -8.178 6.476 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.022 5.443 -7.362 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.065 7.564 -7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.078 9.024 -8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.183 8.032 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.578 9.561 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.587 8.329 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.852 8.442 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.540 7.512 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.320 6.103 -8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.229 7.111 -9.593 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.638 5.822 -4.160 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.716 5.612 -3.053 1.00 0.00 C ATOM 1341 C ALA A 81 -4.252 4.159 -2.928 1.00 0.00 C ATOM 1342 O ALA A 81 -3.217 3.925 -2.314 1.00 0.00 O ATOM 1343 CB ALA A 81 -5.353 6.081 -1.747 1.00 0.00 C ATOM 0 H ALA A 81 -6.605 5.971 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.826 6.205 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.656 5.920 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.591 7.142 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.267 5.516 -1.564 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.996 3.200 -3.486 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.692 1.768 -3.474 1.00 0.00 C ATOM 1351 C VAL A 82 -5.342 1.084 -4.694 1.00 0.00 C ATOM 1352 O VAL A 82 -6.543 1.220 -4.938 1.00 0.00 O ATOM 1353 CB VAL A 82 -5.143 1.156 -2.141 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.568 1.540 -1.775 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.904 -0.351 -2.130 1.00 0.00 C ATOM 0 H VAL A 82 -5.864 3.410 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.617 1.610 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.524 1.583 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.836 1.080 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.642 2.624 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.249 1.191 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.231 -0.764 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.469 -0.815 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.842 -0.552 -2.268 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.552 0.337 -5.461 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.965 -0.406 -6.665 1.00 0.00 C ATOM 1367 C GLU A 83 -4.272 -1.776 -6.756 1.00 0.00 C ATOM 1368 O GLU A 83 -3.158 -1.944 -6.262 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.653 0.436 -7.924 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.889 0.748 -8.777 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.403 -0.489 -9.538 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.247 -0.546 -10.780 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -6.964 -1.409 -8.895 1.00 0.00 O ATOM 0 H GLU A 83 -3.559 0.223 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.038 -0.588 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.187 1.373 -7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.925 -0.097 -8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.682 1.133 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.646 1.535 -9.490 1.00 0.00 H new ATOM 1380 N THR A 84 -4.882 -2.750 -7.435 1.00 0.00 N ATOM 1381 CA THR A 84 -4.299 -4.081 -7.674 1.00 0.00 C ATOM 1382 C THR A 84 -3.782 -4.137 -9.100 1.00 0.00 C ATOM 1383 O THR A 84 -4.486 -4.515 -10.031 1.00 0.00 O ATOM 1384 CB THR A 84 -5.287 -5.224 -7.414 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.155 -4.953 -6.329 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.555 -6.523 -7.096 1.00 0.00 C ATOM 0 H THR A 84 -5.810 -2.639 -7.843 1.00 0.00 H new ATOM 0 HA THR A 84 -3.483 -4.223 -6.965 1.00 0.00 H new ATOM 0 HB THR A 84 -5.869 -5.321 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.767 -5.708 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.282 -7.315 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.919 -6.798 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.940 -6.386 -6.206 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.524 -3.725 -9.230 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.561 -3.976 -10.322 1.00 0.00 C ATOM 1396 C VAL A 85 -2.147 -4.289 -11.703 1.00 0.00 C ATOM 1397 O VAL A 85 -2.133 -3.428 -12.583 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.524 -5.030 -9.893 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.519 -4.331 -9.019 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.089 -6.223 -9.109 1.00 0.00 C ATOM 0 H VAL A 85 -2.101 -3.147 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.077 -3.012 -10.478 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.112 -5.447 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.269 -5.054 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.001 -3.538 -9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.032 -3.902 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.280 -6.907 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.564 -5.866 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.825 -6.744 -9.721 1.00 0.00 H new ATOM 1410 N THR A 86 -2.651 -5.507 -11.889 1.00 0.00 N ATOM 1411 CA THR A 86 -3.690 -5.819 -12.881 1.00 0.00 C ATOM 1412 C THR A 86 -4.827 -6.616 -12.266 1.00 0.00 C ATOM 1413 O THR A 86 -5.997 -6.270 -12.436 1.00 0.00 O ATOM 1414 CB THR A 86 -3.164 -6.619 -14.077 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.409 -7.735 -13.670 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.233 -5.765 -14.910 1.00 0.00 C ATOM 0 H THR A 86 -2.349 -6.319 -11.351 1.00 0.00 H new ATOM 0 HA THR A 86 -4.041 -4.847 -13.229 1.00 0.00 H new ATOM 0 HB THR A 86 -4.041 -6.938 -14.640 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.092 -8.221 -14.460 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.866 -6.346 -15.757 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.771 -4.890 -15.276 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.390 -5.443 -14.299 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.477 -7.695 -11.565 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.454 -8.719 -11.176 1.00 0.00 C ATOM 1426 C ASP A 87 -5.037 -9.498 -9.923 1.00 0.00 C ATOM 1427 O ASP A 87 -5.620 -9.292 -8.857 1.00 0.00 O ATOM 1428 CB ASP A 87 -5.713 -9.652 -12.371 1.00 0.00 C ATOM 1429 CG ASP A 87 -6.925 -9.224 -13.213 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.067 -9.297 -12.699 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.748 -8.868 -14.404 1.00 0.00 O ATOM 0 H ASP A 87 -3.524 -7.885 -11.254 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.382 -8.216 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.827 -9.676 -13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.871 -10.667 -12.006 1.00 0.00 H new ATOM 1436 N SER A 88 -4.024 -10.364 -10.029 1.00 0.00 N ATOM 1437 CA SER A 88 -3.424 -11.043 -8.873 1.00 0.00 C ATOM 1438 C SER A 88 -3.033 -10.123 -7.721 1.00 0.00 C ATOM 1439 O SER A 88 -2.489 -9.035 -7.919 1.00 0.00 O ATOM 1440 CB SER A 88 -2.168 -11.810 -9.240 1.00 0.00 C ATOM 1441 OG SER A 88 -2.009 -12.870 -8.330 1.00 0.00 O ATOM 0 H SER A 88 -3.595 -10.615 -10.920 1.00 0.00 H new ATOM 0 HA SER A 88 -4.225 -11.707 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.242 -12.193 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.300 -11.152 -9.210 1.00 0.00 H new ATOM 0 HG SER A 88 -1.201 -13.377 -8.556 1.00 0.00 H new ATOM 1447 N SER A 89 -3.235 -10.618 -6.504 1.00 0.00 N ATOM 1448 CA SER A 89 -3.091 -9.862 -5.264 1.00 0.00 C ATOM 1449 C SER A 89 -1.991 -10.414 -4.352 1.00 0.00 C ATOM 1450 O SER A 89 -2.194 -10.594 -3.153 1.00 0.00 O ATOM 1451 CB SER A 89 -4.467 -9.725 -4.614 1.00 0.00 C ATOM 1452 OG SER A 89 -4.977 -10.983 -4.193 1.00 0.00 O ATOM 0 H SER A 89 -3.512 -11.587 -6.348 1.00 0.00 H new ATOM 0 HA SER A 89 -2.732 -8.856 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.400 -9.054 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.160 -9.270 -5.321 1.00 0.00 H new ATOM 0 HG SER A 89 -5.857 -10.858 -3.780 1.00 0.00 H new ATOM 1458 N ARG A 90 -0.804 -10.670 -4.925 1.00 0.00 N ATOM 1459 CA ARG A 90 0.490 -10.589 -4.206 1.00 0.00 C ATOM 1460 C ARG A 90 0.983 -9.136 -4.103 1.00 0.00 C ATOM 1461 O ARG A 90 1.715 -8.795 -3.171 1.00 0.00 O ATOM 1462 CB ARG A 90 1.528 -11.490 -4.912 1.00 0.00 C ATOM 1463 CG ARG A 90 2.936 -11.387 -4.298 1.00 0.00 C ATOM 1464 CD ARG A 90 3.939 -12.369 -4.917 1.00 0.00 C ATOM 1465 NE ARG A 90 3.686 -13.772 -4.527 1.00 0.00 N ATOM 1466 CZ ARG A 90 4.077 -14.367 -3.412 1.00 0.00 C ATOM 1467 NH1 ARG A 90 3.893 -15.644 -3.246 1.00 0.00 N ATOM 1468 NH2 ARG A 90 4.654 -13.727 -2.438 1.00 0.00 N ATOM 0 H ARG A 90 -0.708 -10.941 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 90 0.351 -10.947 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.193 -12.526 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.578 -11.219 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.307 -10.370 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.872 -11.571 -3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.898 -12.286 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.948 -12.089 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 90 3.155 -14.341 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.444 -16.194 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.197 -16.095 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.822 -12.724 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.939 -14.228 -1.596 1.00 0.00 H new ATOM 1482 N TYR A 91 0.575 -8.290 -5.052 1.00 0.00 N ATOM 1483 CA TYR A 91 1.038 -6.911 -5.207 1.00 0.00 C ATOM 1484 C TYR A 91 -0.107 -5.895 -5.194 1.00 0.00 C ATOM 1485 O TYR A 91 -1.257 -6.227 -5.483 1.00 0.00 O ATOM 1486 CB TYR A 91 1.796 -6.750 -6.535 1.00 0.00 C ATOM 1487 CG TYR A 91 2.864 -7.774 -6.835 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.195 -7.561 -6.435 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.520 -8.921 -7.574 1.00 0.00 C ATOM 1490 CE1 TYR A 91 5.173 -8.530 -6.720 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.495 -9.882 -7.872 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.825 -9.707 -7.419 1.00 0.00 C ATOM 1493 OH TYR A 91 5.771 -10.655 -7.656 1.00 0.00 O ATOM 0 H TYR A 91 -0.111 -8.557 -5.758 1.00 0.00 H new ATOM 0 HA TYR A 91 1.688 -6.713 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.068 -6.770 -7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.259 -5.763 -6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.465 -6.656 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.504 -9.061 -7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.194 -8.374 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.232 -10.757 -8.448 1.00 0.00 H new ATOM 0 HH TYR A 91 6.647 -10.226 -7.753 1.00 0.00 H new ATOM 1503 N PHE A 92 0.255 -4.637 -4.946 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.603 -3.457 -5.071 1.00 0.00 C ATOM 1505 C PHE A 92 0.192 -2.270 -5.623 1.00 0.00 C ATOM 1506 O PHE A 92 1.412 -2.342 -5.768 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.215 -3.109 -3.707 1.00 0.00 C ATOM 1508 CG PHE A 92 -2.071 -4.224 -3.155 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -3.370 -4.435 -3.659 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.539 -5.091 -2.186 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -4.133 -5.523 -3.202 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.311 -6.163 -1.716 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.600 -6.392 -2.235 1.00 0.00 C ATOM 0 H PHE A 92 1.198 -4.401 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.408 -3.680 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.416 -2.885 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.818 -2.206 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.779 -3.760 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.541 -4.933 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.126 -5.691 -3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.915 -6.816 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.179 -7.236 -1.890 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.493 -1.164 -5.892 1.00 0.00 N ATOM 1524 CA VAL A 93 0.081 0.173 -6.078 1.00 0.00 C ATOM 1525 C VAL A 93 -0.653 1.143 -5.161 1.00 0.00 C ATOM 1526 O VAL A 93 -1.879 1.100 -5.101 1.00 0.00 O ATOM 1527 CB VAL A 93 -0.001 0.622 -7.548 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.448 2.074 -7.737 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.890 -0.271 -8.416 1.00 0.00 C ATOM 0 H VAL A 93 -1.508 -1.170 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 93 1.140 0.154 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.046 0.540 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.372 2.344 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.190 2.732 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.482 2.181 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.827 0.052 -9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.922 -0.197 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.555 -1.305 -8.337 1.00 0.00 H new ATOM 1539 N ILE A 94 0.068 2.016 -4.457 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.512 3.044 -3.583 1.00 0.00 C ATOM 1541 C ILE A 94 0.059 4.440 -3.873 1.00 0.00 C ATOM 1542 O ILE A 94 1.193 4.579 -4.340 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.403 2.674 -2.082 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.060 2.659 -1.597 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -1.059 1.317 -1.774 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.151 2.634 -0.071 1.00 0.00 C ATOM 0 H ILE A 94 1.088 2.032 -4.476 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.576 3.082 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.942 3.452 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.570 1.787 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.578 3.539 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.959 1.098 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.116 1.355 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.568 0.535 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.198 2.624 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.664 3.520 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.655 1.740 0.308 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.727 5.478 -3.564 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.366 6.898 -3.732 1.00 0.00 C ATOM 1560 C ARG A 95 0.077 7.503 -2.393 1.00 0.00 C ATOM 1561 O ARG A 95 -0.743 8.022 -1.638 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.536 7.633 -4.417 1.00 0.00 C ATOM 1563 CG ARG A 95 -1.198 9.034 -4.953 1.00 0.00 C ATOM 1564 CD ARG A 95 -1.102 10.091 -3.851 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.959 11.447 -4.417 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.906 12.312 -4.726 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.561 13.484 -5.171 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.176 12.046 -4.606 1.00 0.00 N ATOM 0 H ARG A 95 -1.663 5.353 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 95 0.498 7.009 -4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.896 7.021 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.357 7.721 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.251 8.992 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.960 9.335 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.993 10.048 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.250 9.872 -3.208 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.003 11.756 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.574 13.720 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.277 14.168 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.476 11.135 -4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.870 12.749 -4.858 1.00 0.00 H new ATOM 1582 N ILE A 96 1.372 7.428 -2.098 1.00 0.00 N ATOM 1583 CA ILE A 96 1.986 7.950 -0.863 1.00 0.00 C ATOM 1584 C ILE A 96 2.282 9.453 -0.929 1.00 0.00 C ATOM 1585 O ILE A 96 2.437 10.014 -2.013 1.00 0.00 O ATOM 1586 CB ILE A 96 3.279 7.179 -0.507 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.324 7.240 -1.643 1.00 0.00 C ATOM 1588 CG2 ILE A 96 2.970 5.725 -0.126 1.00 0.00 C ATOM 1589 CD1 ILE A 96 5.741 6.925 -1.179 1.00 0.00 C ATOM 0 H ILE A 96 2.049 6.992 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 96 1.246 7.796 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 96 3.715 7.674 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.041 6.536 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.308 8.235 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.898 5.208 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.306 5.709 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.486 5.224 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.423 6.986 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.043 7.644 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.772 5.919 -0.760 1.00 0.00 H new ATOM 1601 N GLN A 97 2.489 10.086 0.228 1.00 0.00 N ATOM 1602 CA GLN A 97 3.439 11.199 0.324 1.00 0.00 C ATOM 1603 C GLN A 97 4.878 10.674 0.413 1.00 0.00 C ATOM 1604 O GLN A 97 5.152 9.719 1.139 1.00 0.00 O ATOM 1605 CB GLN A 97 3.114 12.135 1.495 1.00 0.00 C ATOM 1606 CG GLN A 97 1.982 13.112 1.134 1.00 0.00 C ATOM 1607 CD GLN A 97 2.210 14.491 1.745 1.00 0.00 C ATOM 1608 OE1 GLN A 97 1.569 14.904 2.702 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.145 15.250 1.209 1.00 0.00 N ATOM 0 H GLN A 97 2.019 9.852 1.102 1.00 0.00 H new ATOM 0 HA GLN A 97 3.345 11.790 -0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.824 11.545 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.006 12.696 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.911 13.202 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.031 12.712 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.682 14.911 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.331 16.177 1.592 1.00 0.00 H new ATOM 1682 N SER A 103 3.991 14.049 -3.322 1.00 0.00 N ATOM 1683 CA SER A 103 3.432 12.693 -3.433 1.00 0.00 C ATOM 1684 C SER A 103 4.034 11.870 -4.576 1.00 0.00 C ATOM 1685 O SER A 103 4.585 12.413 -5.538 1.00 0.00 O ATOM 1686 CB SER A 103 1.899 12.718 -3.495 1.00 0.00 C ATOM 1687 OG SER A 103 1.395 13.430 -4.616 1.00 0.00 O ATOM 0 HA SER A 103 3.723 12.177 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.527 11.694 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.512 13.170 -2.582 1.00 0.00 H new ATOM 0 HG SER A 103 2.031 14.131 -4.871 1.00 0.00 H new ATOM 1693 N ALA A 104 3.952 10.545 -4.440 1.00 0.00 N ATOM 1694 CA ALA A 104 4.498 9.554 -5.364 1.00 0.00 C ATOM 1695 C ALA A 104 3.626 8.290 -5.411 1.00 0.00 C ATOM 1696 O ALA A 104 2.971 7.932 -4.432 1.00 0.00 O ATOM 1697 CB ALA A 104 5.936 9.220 -4.938 1.00 0.00 C ATOM 0 H ALA A 104 3.480 10.115 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 104 4.504 9.969 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.355 8.481 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.543 10.125 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.931 8.817 -3.925 1.00 0.00 H new ATOM 1703 N PHE A 105 3.655 7.582 -6.539 1.00 0.00 N ATOM 1704 CA PHE A 105 3.125 6.221 -6.635 1.00 0.00 C ATOM 1705 C PHE A 105 4.234 5.198 -6.361 1.00 0.00 C ATOM 1706 O PHE A 105 5.324 5.278 -6.935 1.00 0.00 O ATOM 1707 CB PHE A 105 2.448 5.996 -7.992 1.00 0.00 C ATOM 1708 CG PHE A 105 1.375 7.023 -8.303 1.00 0.00 C ATOM 1709 CD1 PHE A 105 1.698 8.157 -9.074 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.079 6.885 -7.772 1.00 0.00 C ATOM 1711 CE1 PHE A 105 0.733 9.152 -9.304 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.893 7.868 -8.030 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.567 9.004 -8.791 1.00 0.00 C ATOM 0 H PHE A 105 4.046 7.935 -7.412 1.00 0.00 H new ATOM 0 HA PHE A 105 2.359 6.083 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.204 6.021 -8.777 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.005 5.000 -8.009 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.690 8.262 -9.489 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.169 6.025 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.991 10.031 -9.876 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.894 7.750 -7.642 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.314 9.761 -8.981 1.00 0.00 H new ATOM 1723 N ILE A 106 3.945 4.218 -5.505 1.00 0.00 N ATOM 1724 CA ILE A 106 4.781 3.023 -5.308 1.00 0.00 C ATOM 1725 C ILE A 106 3.960 1.761 -5.540 1.00 0.00 C ATOM 1726 O ILE A 106 2.814 1.658 -5.109 1.00 0.00 O ATOM 1727 CB ILE A 106 5.496 2.978 -3.934 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.489 2.916 -2.754 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.397 4.215 -3.790 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.080 2.773 -1.348 1.00 0.00 C ATOM 0 H ILE A 106 3.111 4.228 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 106 5.578 3.079 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 106 6.096 2.069 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.883 3.821 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.815 2.077 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.902 4.187 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.140 4.219 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.789 5.117 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.273 2.742 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.660 1.852 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.728 3.624 -1.137 1.00 0.00 H new ATOM 1742 N GLY A 107 4.575 0.780 -6.183 1.00 0.00 N ATOM 1743 CA GLY A 107 4.175 -0.609 -6.108 1.00 0.00 C ATOM 1744 C GLY A 107 4.571 -1.208 -4.761 1.00 0.00 C ATOM 1745 O GLY A 107 5.566 -0.810 -4.150 1.00 0.00 O ATOM 0 H GLY A 107 5.384 0.936 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.097 -0.691 -6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.643 -1.172 -6.915 1.00 0.00 H new ATOM 1749 N ILE A 108 3.804 -2.189 -4.304 1.00 0.00 N ATOM 1750 CA ILE A 108 4.100 -3.003 -3.126 1.00 0.00 C ATOM 1751 C ILE A 108 4.037 -4.474 -3.535 1.00 0.00 C ATOM 1752 O ILE A 108 3.151 -4.847 -4.302 1.00 0.00 O ATOM 1753 CB ILE A 108 3.130 -2.710 -1.959 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.112 -1.195 -1.655 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.587 -3.509 -0.726 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.378 -0.818 -0.369 1.00 0.00 C ATOM 0 H ILE A 108 2.928 -2.451 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 108 5.097 -2.755 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 108 2.118 -3.011 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.140 -0.837 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.645 -0.674 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.911 -3.312 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.576 -4.574 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.598 -3.208 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.414 0.263 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.339 -1.141 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.857 -1.307 0.480 1.00 0.00 H new ATOM 1768 N GLY A 109 4.925 -5.310 -3.002 1.00 0.00 N ATOM 1769 CA GLY A 109 4.854 -6.769 -3.075 1.00 0.00 C ATOM 1770 C GLY A 109 4.996 -7.405 -1.692 1.00 0.00 C ATOM 1771 O GLY A 109 5.897 -7.062 -0.921 1.00 0.00 O ATOM 0 H GLY A 109 5.743 -4.980 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.904 -7.067 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.642 -7.141 -3.731 1.00 0.00 H new ATOM 1775 N PHE A 110 4.110 -8.345 -1.372 1.00 0.00 N ATOM 1776 CA PHE A 110 4.172 -9.120 -0.130 1.00 0.00 C ATOM 1777 C PHE A 110 4.869 -10.472 -0.312 1.00 0.00 C ATOM 1778 O PHE A 110 4.913 -11.048 -1.404 1.00 0.00 O ATOM 1779 CB PHE A 110 2.769 -9.300 0.447 1.00 0.00 C ATOM 1780 CG PHE A 110 2.184 -8.042 1.067 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.180 -7.907 2.469 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.645 -7.013 0.268 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.596 -6.781 3.070 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.080 -5.875 0.871 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.050 -5.764 2.271 1.00 0.00 C ATOM 0 H PHE A 110 3.322 -8.594 -1.970 1.00 0.00 H new ATOM 0 HA PHE A 110 4.779 -8.554 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.104 -9.644 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.797 -10.085 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.628 -8.673 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.666 -7.099 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.567 -6.697 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.669 -5.087 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.606 -4.895 2.733 1.00 0.00 H new ATOM 1795 N THR A 111 5.380 -10.998 0.802 1.00 0.00 N ATOM 1796 CA THR A 111 6.050 -12.304 0.866 1.00 0.00 C ATOM 1797 C THR A 111 5.060 -13.474 0.783 1.00 0.00 C ATOM 1798 O THR A 111 5.373 -14.520 0.211 1.00 0.00 O ATOM 1799 CB THR A 111 6.938 -12.353 2.116 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.876 -13.402 2.010 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.172 -12.522 3.428 1.00 0.00 C ATOM 0 H THR A 111 5.341 -10.522 1.703 1.00 0.00 H new ATOM 0 HA THR A 111 6.688 -12.420 -0.010 1.00 0.00 H new ATOM 0 HB THR A 111 7.429 -11.381 2.153 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.437 -13.421 2.813 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.876 -12.547 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.485 -11.686 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.608 -13.454 3.402 1.00 0.00 H new ATOM 1809 N ASP A 112 3.821 -13.262 1.239 1.00 0.00 N ATOM 1810 CA ASP A 112 2.716 -14.227 1.178 1.00 0.00 C ATOM 1811 C ASP A 112 1.462 -13.650 0.489 1.00 0.00 C ATOM 1812 O ASP A 112 1.105 -12.486 0.691 1.00 0.00 O ATOM 1813 CB ASP A 112 2.391 -14.722 2.597 1.00 0.00 C ATOM 1814 CG ASP A 112 1.674 -16.079 2.572 1.00 0.00 C ATOM 1815 OD1 ASP A 112 2.331 -17.121 2.801 1.00 0.00 O ATOM 1816 OD2 ASP A 112 0.453 -16.102 2.294 1.00 0.00 O ATOM 0 H ASP A 112 3.549 -12.382 1.677 1.00 0.00 H new ATOM 0 HA ASP A 112 3.038 -15.068 0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.312 -14.807 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.765 -13.988 3.104 1.00 0.00 H new ATOM 1821 N ARG A 113 0.752 -14.482 -0.285 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.546 -14.140 -0.900 1.00 0.00 C ATOM 1823 C ARG A 113 -1.627 -13.817 0.131 1.00 0.00 C ATOM 1824 O ARG A 113 -2.420 -12.909 -0.099 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.996 -15.297 -1.815 1.00 0.00 C ATOM 1826 CG ARG A 113 -0.517 -15.094 -3.259 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.431 -14.118 -4.022 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.393 -14.821 -4.893 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.166 -15.242 -6.126 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -3.127 -15.753 -6.826 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -0.995 -15.164 -6.687 1.00 0.00 N ATOM 0 H ARG A 113 1.065 -15.427 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.405 -13.232 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.605 -16.239 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -2.083 -15.373 -1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.504 -14.711 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.496 -16.054 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.975 -13.499 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.820 -13.447 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.320 -14.999 -4.508 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.062 -15.832 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.949 -16.077 -7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.209 -14.766 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -0.863 -15.501 -7.641 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.640 -14.497 1.277 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.554 -14.205 2.383 1.00 0.00 C ATOM 1847 C GLY A 114 -2.252 -12.871 3.074 1.00 0.00 C ATOM 1848 O GLY A 114 -3.180 -12.160 3.456 1.00 0.00 O ATOM 0 H GLY A 114 -1.009 -15.276 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.577 -14.190 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.496 -15.009 3.117 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.976 -12.477 3.166 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.576 -11.185 3.744 1.00 0.00 C ATOM 1854 C ASP A 115 -1.067 -10.009 2.884 1.00 0.00 C ATOM 1855 O ASP A 115 -1.612 -9.038 3.414 1.00 0.00 O ATOM 1856 CB ASP A 115 0.945 -11.122 3.956 1.00 0.00 C ATOM 1857 CG ASP A 115 1.471 -12.024 5.090 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.701 -12.253 5.135 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.683 -12.464 5.961 1.00 0.00 O ATOM 0 H ASP A 115 -0.191 -13.043 2.843 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.053 -11.098 4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.440 -11.403 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.227 -10.091 4.169 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.960 -10.129 1.557 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.493 -9.143 0.620 1.00 0.00 C ATOM 1866 C ALA A 116 -3.029 -9.185 0.492 1.00 0.00 C ATOM 1867 O ALA A 116 -3.680 -8.142 0.441 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.840 -9.376 -0.741 1.00 0.00 C ATOM 0 H ALA A 116 -0.499 -10.918 1.104 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.257 -8.151 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.224 -8.650 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.240 -9.261 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.070 -10.384 -1.087 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.648 -10.364 0.493 1.00 0.00 N ATOM 1875 CA PHE A 117 -5.109 -10.457 0.459 1.00 0.00 C ATOM 1876 C PHE A 117 -5.749 -9.801 1.698 1.00 0.00 C ATOM 1877 O PHE A 117 -6.808 -9.179 1.592 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.503 -11.925 0.301 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.968 -12.145 -0.003 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.419 -12.135 -1.336 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.880 -12.386 1.042 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.770 -12.377 -1.622 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.228 -12.653 0.752 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.677 -12.646 -0.580 1.00 0.00 C ATOM 0 H PHE A 117 -3.166 -11.263 0.517 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.492 -9.900 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.908 -12.365 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.250 -12.458 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.724 -11.941 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.543 -12.366 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.116 -12.357 -2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.921 -12.864 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.715 -12.846 -0.803 1.00 0.00 H new ATOM 1894 N ASP A 118 -5.066 -9.843 2.847 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.488 -9.197 4.091 1.00 0.00 C ATOM 1896 C ASP A 118 -5.198 -7.686 4.104 1.00 0.00 C ATOM 1897 O ASP A 118 -5.944 -6.935 4.731 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.813 -9.912 5.265 1.00 0.00 C ATOM 1899 CG ASP A 118 -5.456 -9.563 6.617 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -6.695 -9.690 6.757 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -4.705 -9.223 7.560 1.00 0.00 O ATOM 0 H ASP A 118 -4.181 -10.341 2.938 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.571 -9.284 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.866 -10.989 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.756 -9.645 5.289 1.00 0.00 H new ATOM 1906 N PHE A 119 -4.191 -7.209 3.356 1.00 0.00 N ATOM 1907 CA PHE A 119 -4.018 -5.779 3.066 1.00 0.00 C ATOM 1908 C PHE A 119 -5.269 -5.212 2.370 1.00 0.00 C ATOM 1909 O PHE A 119 -5.787 -4.166 2.764 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.732 -5.551 2.243 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.604 -4.199 1.560 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.779 -3.213 2.113 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.266 -3.931 0.346 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.667 -1.951 1.512 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.123 -2.683 -0.286 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.342 -1.681 0.311 1.00 0.00 C ATOM 0 H PHE A 119 -3.476 -7.803 2.936 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.902 -5.235 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.875 -5.684 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.671 -6.327 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.222 -3.427 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.889 -4.690 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.061 -1.186 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.614 -2.496 -1.230 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.261 -0.708 -0.151 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.810 -5.951 1.397 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.070 -5.632 0.723 1.00 0.00 C ATOM 1928 C ASN A 120 -8.277 -5.731 1.671 1.00 0.00 C ATOM 1929 O ASN A 120 -9.060 -4.784 1.760 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.178 -6.526 -0.526 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.581 -6.968 -0.889 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.387 -6.219 -1.422 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.916 -8.205 -0.604 1.00 0.00 N ATOM 0 H ASN A 120 -5.374 -6.805 1.049 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.077 -4.590 0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.754 -5.989 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.564 -7.413 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.852 -8.544 -0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.241 -8.827 -0.159 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.432 -6.832 2.419 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.606 -7.029 3.288 1.00 0.00 C ATOM 1942 C VAL A 121 -9.645 -6.020 4.446 1.00 0.00 C ATOM 1943 O VAL A 121 -10.730 -5.570 4.820 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.713 -8.488 3.784 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.798 -8.695 4.851 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -10.061 -9.432 2.625 1.00 0.00 C ATOM 0 H VAL A 121 -7.761 -7.600 2.442 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.488 -6.835 2.678 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.736 -8.708 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.817 -9.742 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.579 -8.071 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.769 -8.418 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -10.131 -10.454 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -11.016 -9.138 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.283 -9.376 1.864 1.00 0.00 H new ATOM 1956 N SER A 122 -8.484 -5.575 4.942 1.00 0.00 N ATOM 1957 CA SER A 122 -8.372 -4.477 5.915 1.00 0.00 C ATOM 1958 C SER A 122 -8.984 -3.163 5.409 1.00 0.00 C ATOM 1959 O SER A 122 -9.402 -2.343 6.224 1.00 0.00 O ATOM 1960 CB SER A 122 -6.899 -4.237 6.271 1.00 0.00 C ATOM 1961 OG SER A 122 -6.776 -3.312 7.339 1.00 0.00 O ATOM 0 H SER A 122 -7.583 -5.972 4.676 1.00 0.00 H new ATOM 0 HA SER A 122 -8.935 -4.786 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.430 -5.181 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.367 -3.861 5.397 1.00 0.00 H new ATOM 0 HG SER A 122 -5.934 -2.819 7.249 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.067 -2.958 4.088 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.736 -1.805 3.477 1.00 0.00 C ATOM 1969 C LEU A 123 -11.181 -2.119 3.059 1.00 0.00 C ATOM 1970 O LEU A 123 -12.046 -1.259 3.227 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.895 -1.255 2.315 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.460 -0.856 2.712 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.747 -0.272 1.501 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.395 0.178 3.842 1.00 0.00 C ATOM 0 H LEU A 123 -8.665 -3.599 3.404 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.814 -1.023 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.847 -2.007 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -9.400 -0.385 1.895 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.981 -1.767 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.732 0.011 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.712 -1.016 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -7.286 0.608 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.353 0.408 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.909 1.088 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.876 -0.226 4.733 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.491 -3.346 2.614 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.882 -3.764 2.365 1.00 0.00 C ATOM 1988 C GLN A 124 -13.751 -3.570 3.616 1.00 0.00 C ATOM 1989 O GLN A 124 -14.752 -2.860 3.571 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.985 -5.232 1.912 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.330 -5.524 0.554 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.678 -6.903 -0.015 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.546 -7.626 0.455 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -12.021 -7.319 -1.077 1.00 0.00 N ATOM 0 H GLN A 124 -10.798 -4.068 2.419 1.00 0.00 H new ATOM 0 HA GLN A 124 -13.246 -3.128 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.523 -5.866 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -14.037 -5.511 1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.637 -4.759 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.248 -5.447 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.293 -6.735 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.240 -8.226 -1.489 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.337 -4.128 4.757 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.077 -4.032 6.025 1.00 0.00 C ATOM 2005 C ASP A 125 -13.944 -2.661 6.713 1.00 0.00 C ATOM 2006 O ASP A 125 -14.643 -2.383 7.686 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.591 -5.153 6.953 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.508 -5.376 8.165 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.703 -5.688 7.955 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -14.032 -5.291 9.322 1.00 0.00 O ATOM 0 H ASP A 125 -12.472 -4.664 4.831 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.138 -4.143 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.519 -6.080 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.587 -4.915 7.304 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.076 -1.781 6.203 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.980 -0.386 6.646 1.00 0.00 C ATOM 2017 C HIS A 126 -13.977 0.513 5.911 1.00 0.00 C ATOM 2018 O HIS A 126 -14.623 1.347 6.539 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.549 0.123 6.484 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.385 1.546 6.938 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.099 2.632 6.109 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.467 1.976 8.229 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.008 3.693 6.923 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.229 3.330 8.196 1.00 0.00 N ATOM 0 H HIS A 126 -12.414 -2.019 5.464 1.00 0.00 H new ATOM 0 HA HIS A 126 -13.242 -0.350 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.874 -0.516 7.053 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.256 0.044 5.437 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.983 2.621 5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.677 1.375 9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.788 4.700 6.600 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.163 0.307 4.605 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.146 1.061 3.822 1.00 0.00 C ATOM 2034 C PHE A 127 -16.562 0.451 3.819 1.00 0.00 C ATOM 2035 O PHE A 127 -17.512 1.165 3.494 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.585 1.381 2.430 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.503 2.448 2.495 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.858 3.804 2.648 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -12.143 2.085 2.498 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.859 4.778 2.820 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -11.143 3.060 2.647 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.504 4.406 2.820 1.00 0.00 C ATOM 0 H PHE A 127 -13.641 -0.382 4.063 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.306 2.012 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.176 0.474 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.392 1.720 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.898 4.095 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.866 1.047 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -13.133 5.814 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -10.101 2.776 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.739 5.157 2.953 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.751 -0.811 4.250 1.00 0.00 N ATOM 2053 CA LYS A 128 -18.072 -1.485 4.254 1.00 0.00 C ATOM 2054 C LYS A 128 -19.149 -0.787 5.097 1.00 0.00 C ATOM 2055 O LYS A 128 -20.336 -0.930 4.803 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.941 -2.988 4.587 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.703 -3.359 6.061 1.00 0.00 C ATOM 2058 CD LYS A 128 -19.007 -3.612 6.824 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.821 -3.796 8.334 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.285 -5.135 8.686 1.00 0.00 N ATOM 0 H LYS A 128 -15.995 -1.395 4.606 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.440 -1.399 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.850 -3.489 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -17.119 -3.395 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.079 -4.251 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.151 -2.556 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.685 -2.776 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.487 -4.502 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.144 -3.028 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.778 -3.649 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.211 -5.218 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.925 -5.871 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.344 -5.255 8.260 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.750 -0.049 6.138 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.648 0.631 7.090 1.00 0.00 C ATOM 2076 C TRP A 129 -19.776 2.155 6.868 1.00 0.00 C ATOM 2077 O TRP A 129 -20.461 2.838 7.632 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.237 0.241 8.519 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.808 0.506 8.887 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.789 -0.379 8.803 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.207 1.753 9.357 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.614 0.227 9.188 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.804 1.552 9.517 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.705 3.046 9.624 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.935 2.585 9.904 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.841 4.097 9.996 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.460 3.868 10.137 1.00 0.00 C ATOM 0 H TRP A 129 -17.764 0.099 6.352 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.665 0.283 6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.877 0.777 9.219 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.436 -0.822 8.656 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.883 -1.406 8.482 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.712 -0.247 9.225 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.765 3.234 9.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.878 2.396 10.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.242 5.084 10.174 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.804 4.677 10.424 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.154 2.690 5.811 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.145 4.121 5.423 1.00 0.00 C ATOM 2100 C VAL A 130 -19.531 4.295 3.938 1.00 0.00 C ATOM 2101 O VAL A 130 -20.051 3.370 3.309 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.805 4.818 5.811 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.048 5.770 6.987 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.652 3.888 6.177 1.00 0.00 C ATOM 0 H VAL A 130 -18.614 2.115 5.165 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.914 4.638 5.998 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.492 5.338 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.112 6.258 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.780 6.524 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.425 5.206 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.772 4.481 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.935 3.277 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.423 3.241 5.330 1.00 0.00 H new