USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 616 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 21 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.64! K(o=-8.5!,f=-4.9) USER MOD Set 1.3: A 27 THR OG1 : rot -130:sc= -0.653 USER MOD Set 1.4: A 71 HIS : no HD1:sc= -6.23! K(o=-8.5!,f=-4.9) USER MOD Set 2.1: A 51 GLN : amide:sc= 0 K(o=0.022,f=-0.59) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.0215 USER MOD Set 3.1: A 30 CYS SG : rot 180:sc= -0.165 USER MOD Set 3.2: A 93 CYS SG : rot 40:sc= -6.05! USER MOD Set 4.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.26 X(o=-3.3,f=-3.1!) USER MOD Single : A 20 GLN : amide:sc= -0.275 K(o=-0.27,f=-3.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -50:sc= 0.00206 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 163:sc= -4.72! (180deg=-5.26!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.27 USER MOD Single : A 47 SER OG : rot 180:sc= -0.192 USER MOD Single : A 53 MET CE :methyl -135:sc= -0.0974 (180deg=-0.746) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 59:sc= 0.216 USER MOD Single : A 64 SER OG : rot -110:sc= -0.965 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 98:sc= 0.0089 USER MOD Single : A 76 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.33) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.31!) USER MOD Single : A 84 THR OG1 : rot -69:sc= 0.982 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=0) USER MOD Single : A 94 TYR OH : rot 30:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 176 N PHE A 14 -12.283 2.078 11.868 1.00 0.00 N ATOM 177 CA PHE A 14 -12.266 3.389 11.229 1.00 0.00 C ATOM 178 C PHE A 14 -12.191 4.501 12.271 1.00 0.00 C ATOM 179 O PHE A 14 -11.525 5.515 12.064 1.00 0.00 O ATOM 180 CB PHE A 14 -13.513 3.572 10.360 1.00 0.00 C ATOM 181 CG PHE A 14 -13.700 4.979 9.868 1.00 0.00 C ATOM 182 CD1 PHE A 14 -13.049 5.421 8.728 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.526 5.859 10.548 1.00 0.00 C ATOM 184 CE1 PHE A 14 -13.219 6.715 8.273 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.700 7.155 10.097 1.00 0.00 C ATOM 186 CZ PHE A 14 -14.046 7.583 8.959 1.00 0.00 C ATOM 0 HA PHE A 14 -11.379 3.447 10.598 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.450 2.901 9.503 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.392 3.276 10.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.401 4.746 8.188 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -15.039 5.530 11.439 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.706 7.047 7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.347 7.832 10.635 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.181 8.595 8.606 1.00 0.00 H new ATOM 196 N GLU A 15 -12.880 4.303 13.390 1.00 0.00 N ATOM 197 CA GLU A 15 -12.893 5.289 14.463 1.00 0.00 C ATOM 198 C GLU A 15 -11.524 5.387 15.129 1.00 0.00 C ATOM 199 O GLU A 15 -11.144 6.439 15.645 1.00 0.00 O ATOM 200 CB GLU A 15 -13.954 4.929 15.505 1.00 0.00 C ATOM 201 CG GLU A 15 -15.379 5.076 14.999 1.00 0.00 C ATOM 202 CD GLU A 15 -16.322 4.056 15.606 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.254 2.874 15.204 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.129 4.437 16.479 1.00 0.00 O ATOM 0 H GLU A 15 -13.436 3.469 13.577 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.136 6.258 14.027 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.797 3.901 15.830 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.821 5.564 16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.740 6.079 15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.388 4.973 13.914 1.00 0.00 H new ATOM 211 N ASP A 16 -10.785 4.281 15.115 1.00 0.00 N ATOM 212 CA ASP A 16 -9.458 4.241 15.716 1.00 0.00 C ATOM 213 C ASP A 16 -8.417 4.844 14.778 1.00 0.00 C ATOM 214 O ASP A 16 -7.539 5.592 15.206 1.00 0.00 O ATOM 215 CB ASP A 16 -9.076 2.802 16.064 1.00 0.00 C ATOM 216 CG ASP A 16 -8.959 2.578 17.559 1.00 0.00 C ATOM 217 OD1 ASP A 16 -7.963 3.042 18.152 1.00 0.00 O ATOM 218 OD2 ASP A 16 -9.864 1.938 18.136 1.00 0.00 O ATOM 0 H ASP A 16 -11.084 3.401 14.694 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.483 4.834 16.630 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.824 2.122 15.655 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.127 2.556 15.588 1.00 0.00 H new ATOM 223 N VAL A 17 -8.522 4.511 13.495 1.00 0.00 N ATOM 224 CA VAL A 17 -7.591 5.021 12.495 1.00 0.00 C ATOM 225 C VAL A 17 -7.760 6.523 12.300 1.00 0.00 C ATOM 226 O VAL A 17 -6.780 7.258 12.176 1.00 0.00 O ATOM 227 CB VAL A 17 -7.782 4.314 11.140 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.798 4.854 10.112 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.627 2.809 11.297 1.00 0.00 C ATOM 0 H VAL A 17 -9.242 3.891 13.124 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.586 4.818 12.865 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.792 4.517 10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.948 4.343 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.961 5.923 9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.779 4.683 10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.765 2.326 10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.630 2.583 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.374 2.437 11.998 1.00 0.00 H new ATOM 239 N VAL A 18 -9.009 6.974 12.275 1.00 0.00 N ATOM 240 CA VAL A 18 -9.308 8.390 12.098 1.00 0.00 C ATOM 241 C VAL A 18 -9.080 9.166 13.390 1.00 0.00 C ATOM 242 O VAL A 18 -9.954 9.901 13.846 1.00 0.00 O ATOM 243 CB VAL A 18 -10.760 8.604 11.631 1.00 0.00 C ATOM 244 CG1 VAL A 18 -11.734 8.291 12.758 1.00 0.00 C ATOM 245 CG2 VAL A 18 -10.954 10.026 11.128 1.00 0.00 C ATOM 0 H VAL A 18 -9.831 6.379 12.375 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.630 8.763 11.330 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.963 7.921 10.806 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.755 8.448 12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.611 7.253 13.067 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.534 8.948 13.605 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.986 10.159 10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.733 10.729 11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.282 10.210 10.290 1.00 0.00 H new ATOM 255 N ASN A 19 -7.898 8.996 13.975 1.00 0.00 N ATOM 256 CA ASN A 19 -7.555 9.681 15.216 1.00 0.00 C ATOM 257 C ASN A 19 -6.118 9.378 15.624 1.00 0.00 C ATOM 258 O ASN A 19 -5.441 10.219 16.216 1.00 0.00 O ATOM 259 CB ASN A 19 -8.514 9.265 16.334 1.00 0.00 C ATOM 260 CG ASN A 19 -7.936 8.175 17.216 1.00 0.00 C ATOM 261 OD1 ASN A 19 -7.003 8.411 17.982 1.00 0.00 O ATOM 262 ND2 ASN A 19 -8.490 6.973 17.109 1.00 0.00 N ATOM 0 H ASN A 19 -7.163 8.391 13.610 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.647 10.754 15.048 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.754 10.135 16.946 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.449 8.916 15.896 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.143 6.199 17.676 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.262 6.823 16.460 1.00 0.00 H new ATOM 269 N GLN A 20 -5.659 8.172 15.305 1.00 0.00 N ATOM 270 CA GLN A 20 -4.302 7.759 15.639 1.00 0.00 C ATOM 271 C GLN A 20 -3.330 8.927 15.514 1.00 0.00 C ATOM 272 O GLN A 20 -2.536 9.187 16.418 1.00 0.00 O ATOM 273 CB GLN A 20 -3.857 6.611 14.731 1.00 0.00 C ATOM 274 CG GLN A 20 -4.178 5.234 15.289 1.00 0.00 C ATOM 275 CD GLN A 20 -3.312 4.144 14.689 1.00 0.00 C ATOM 276 OE1 GLN A 20 -2.590 4.374 13.719 1.00 0.00 O ATOM 277 NE2 GLN A 20 -3.381 2.949 15.264 1.00 0.00 N ATOM 0 H GLN A 20 -6.207 7.464 14.816 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.299 7.417 16.674 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.337 6.721 13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.782 6.685 14.566 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.044 5.244 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.227 5.005 15.100 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.994 2.804 16.067 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.821 2.176 14.903 1.00 0.00 H new ATOM 286 N SER A 21 -3.398 9.629 14.387 1.00 0.00 N ATOM 287 CA SER A 21 -2.521 10.768 14.142 1.00 0.00 C ATOM 288 C SER A 21 -3.334 12.033 13.886 1.00 0.00 C ATOM 289 O SER A 21 -4.446 11.976 13.362 1.00 0.00 O ATOM 290 CB SER A 21 -1.607 10.486 12.948 1.00 0.00 C ATOM 291 OG SER A 21 -2.180 10.962 11.743 1.00 0.00 O ATOM 0 H SER A 21 -4.051 9.429 13.630 1.00 0.00 H new ATOM 0 HA SER A 21 -1.909 10.923 15.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.639 10.962 13.107 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.426 9.414 12.870 1.00 0.00 H new ATOM 0 HG SER A 21 -1.576 10.771 10.996 1.00 0.00 H new ATOM 297 N SER A 22 -2.769 13.177 14.262 1.00 0.00 N ATOM 298 CA SER A 22 -3.442 14.459 14.078 1.00 0.00 C ATOM 299 C SER A 22 -4.130 14.521 12.718 1.00 0.00 C ATOM 300 O SER A 22 -3.663 13.952 11.731 1.00 0.00 O ATOM 301 CB SER A 22 -2.440 15.607 14.209 1.00 0.00 C ATOM 302 OG SER A 22 -1.727 15.526 15.430 1.00 0.00 O ATOM 0 H SER A 22 -1.848 13.242 14.695 1.00 0.00 H new ATOM 0 HA SER A 22 -4.201 14.558 14.854 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.740 15.580 13.374 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.966 16.560 14.154 1.00 0.00 H new ATOM 0 HG SER A 22 -1.092 16.270 15.488 1.00 0.00 H new ATOM 308 N PRO A 23 -5.268 15.227 12.664 1.00 0.00 N ATOM 309 CA PRO A 23 -6.046 15.383 11.431 1.00 0.00 C ATOM 310 C PRO A 23 -5.337 16.259 10.404 1.00 0.00 C ATOM 311 O PRO A 23 -5.640 16.207 9.213 1.00 0.00 O ATOM 312 CB PRO A 23 -7.336 16.054 11.907 1.00 0.00 C ATOM 313 CG PRO A 23 -6.952 16.770 13.156 1.00 0.00 C ATOM 314 CD PRO A 23 -5.883 15.932 13.802 1.00 0.00 C ATOM 0 HA PRO A 23 -6.206 14.429 10.928 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.723 16.745 11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.118 15.319 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.582 17.771 12.934 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.810 16.887 13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.157 16.547 14.334 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.302 15.235 14.527 1.00 0.00 H new ATOM 322 N LYS A 24 -4.390 17.065 10.874 1.00 0.00 N ATOM 323 CA LYS A 24 -3.635 17.952 9.997 1.00 0.00 C ATOM 324 C LYS A 24 -2.708 17.156 9.084 1.00 0.00 C ATOM 325 O LYS A 24 -2.626 17.419 7.885 1.00 0.00 O ATOM 326 CB LYS A 24 -2.821 18.948 10.825 1.00 0.00 C ATOM 327 CG LYS A 24 -3.675 19.883 11.664 1.00 0.00 C ATOM 328 CD LYS A 24 -3.418 19.689 13.150 1.00 0.00 C ATOM 329 CE LYS A 24 -4.597 20.162 13.985 1.00 0.00 C ATOM 330 NZ LYS A 24 -4.162 21.006 15.132 1.00 0.00 N ATOM 0 H LYS A 24 -4.127 17.122 11.858 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.345 18.499 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.148 18.397 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.198 19.541 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.463 20.916 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.729 19.706 11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.226 18.635 13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.522 20.237 13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.283 20.730 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.147 19.298 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.995 21.308 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.528 20.457 15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.659 21.844 14.776 1.00 0.00 H new ATOM 344 N ASN A 25 -2.012 16.181 9.660 1.00 0.00 N ATOM 345 CA ASN A 25 -1.091 15.345 8.898 1.00 0.00 C ATOM 346 C ASN A 25 -1.748 14.024 8.513 1.00 0.00 C ATOM 347 O ASN A 25 -1.830 13.101 9.324 1.00 0.00 O ATOM 348 CB ASN A 25 0.179 15.081 9.708 1.00 0.00 C ATOM 349 CG ASN A 25 0.838 13.765 9.337 1.00 0.00 C ATOM 350 OD1 ASN A 25 1.609 13.693 8.380 1.00 0.00 O ATOM 351 ND2 ASN A 25 0.535 12.718 10.095 1.00 0.00 N ATOM 0 H ASN A 25 -2.068 15.950 10.652 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.826 15.877 7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.885 15.896 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.065 15.075 10.770 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.947 11.807 9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.109 12.825 10.878 1.00 0.00 H new ATOM 358 N CYS A 26 -2.212 13.939 7.272 1.00 0.00 N ATOM 359 CA CYS A 26 -2.862 12.730 6.778 1.00 0.00 C ATOM 360 C CYS A 26 -1.997 12.037 5.731 1.00 0.00 C ATOM 361 O CYS A 26 -1.934 12.468 4.578 1.00 0.00 O ATOM 362 CB CYS A 26 -4.232 13.066 6.187 1.00 0.00 C ATOM 363 SG CYS A 26 -4.939 14.615 6.796 1.00 0.00 S ATOM 0 H CYS A 26 -2.150 14.693 6.588 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.996 12.050 7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.144 13.121 5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.922 12.252 6.410 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.885 14.636 8.095 1.00 0.00 H new ATOM 369 N THR A 27 -1.330 10.962 6.137 1.00 0.00 N ATOM 370 CA THR A 27 -0.467 10.211 5.234 1.00 0.00 C ATOM 371 C THR A 27 -0.777 8.720 5.291 1.00 0.00 C ATOM 372 O THR A 27 -1.279 8.217 6.296 1.00 0.00 O ATOM 373 CB THR A 27 1.020 10.429 5.569 1.00 0.00 C ATOM 374 OG1 THR A 27 1.300 11.828 5.674 1.00 0.00 O ATOM 375 CG2 THR A 27 1.911 9.807 4.504 1.00 0.00 C ATOM 0 H THR A 27 -1.371 10.591 7.086 1.00 0.00 H new ATOM 0 HA THR A 27 -0.663 10.581 4.228 1.00 0.00 H new ATOM 0 HB THR A 27 1.228 9.946 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.086 12.046 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.957 9.974 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.717 8.736 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.698 10.265 3.538 1.00 0.00 H new ATOM 383 N VAL A 28 -0.473 8.015 4.206 1.00 0.00 N ATOM 384 CA VAL A 28 -0.717 6.579 4.133 1.00 0.00 C ATOM 385 C VAL A 28 0.531 5.831 3.675 1.00 0.00 C ATOM 386 O VAL A 28 0.916 5.903 2.508 1.00 0.00 O ATOM 387 CB VAL A 28 -1.877 6.255 3.174 1.00 0.00 C ATOM 388 CG1 VAL A 28 -2.157 4.759 3.159 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.124 7.034 3.564 1.00 0.00 C ATOM 0 H VAL A 28 -0.057 8.415 3.365 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.984 6.252 5.138 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.587 6.556 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.980 4.550 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.266 4.225 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.426 4.429 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.934 6.793 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.418 6.766 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.915 8.103 3.518 1.00 0.00 H new ATOM 399 N TYR A 29 1.158 5.116 4.602 1.00 0.00 N ATOM 400 CA TYR A 29 2.364 4.357 4.294 1.00 0.00 C ATOM 401 C TYR A 29 2.016 2.942 3.840 1.00 0.00 C ATOM 402 O TYR A 29 1.619 2.100 4.647 1.00 0.00 O ATOM 403 CB TYR A 29 3.282 4.301 5.516 1.00 0.00 C ATOM 404 CG TYR A 29 4.367 3.252 5.411 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.127 1.937 5.791 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.630 3.576 4.933 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.115 0.976 5.698 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.623 2.621 4.834 1.00 0.00 C ATOM 409 CZ TYR A 29 6.361 1.322 5.219 1.00 0.00 C ATOM 410 OH TYR A 29 7.347 0.368 5.124 1.00 0.00 O ATOM 0 H TYR A 29 0.851 5.046 5.572 1.00 0.00 H new ATOM 0 HA TYR A 29 2.884 4.863 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.745 5.278 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.681 4.102 6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.152 1.662 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.839 4.592 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.913 -0.041 5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.599 2.889 4.457 1.00 0.00 H new ATOM 0 HH TYR A 29 8.163 0.776 4.767 1.00 0.00 H new ATOM 420 N CYS A 30 2.168 2.689 2.545 1.00 0.00 N ATOM 421 CA CYS A 30 1.871 1.376 1.982 1.00 0.00 C ATOM 422 C CYS A 30 3.154 0.602 1.701 1.00 0.00 C ATOM 423 O CYS A 30 3.888 0.915 0.765 1.00 0.00 O ATOM 424 CB CYS A 30 1.057 1.523 0.696 1.00 0.00 C ATOM 425 SG CYS A 30 -0.004 0.107 0.329 1.00 0.00 S ATOM 0 H CYS A 30 2.495 3.375 1.865 1.00 0.00 H new ATOM 0 HA CYS A 30 1.285 0.818 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.438 2.417 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.741 1.677 -0.139 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.653 0.326 -0.776 1.00 0.00 H new ATOM 431 N GLY A 31 3.420 -0.411 2.520 1.00 0.00 N ATOM 432 CA GLY A 31 4.616 -1.215 2.344 1.00 0.00 C ATOM 433 C GLY A 31 4.302 -2.681 2.124 1.00 0.00 C ATOM 434 O GLY A 31 3.486 -3.262 2.839 1.00 0.00 O ATOM 0 H GLY A 31 2.828 -0.690 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.183 -0.836 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.253 -1.111 3.223 1.00 0.00 H new ATOM 438 N GLY A 32 4.951 -3.282 1.131 1.00 0.00 N ATOM 439 CA GLY A 32 4.722 -4.684 0.837 1.00 0.00 C ATOM 440 C GLY A 32 5.257 -5.085 -0.524 1.00 0.00 C ATOM 441 O GLY A 32 6.039 -6.029 -0.638 1.00 0.00 O ATOM 0 H GLY A 32 5.631 -2.823 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.196 -5.295 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.653 -4.891 0.879 1.00 0.00 H new ATOM 445 N ILE A 33 4.832 -4.368 -1.559 1.00 0.00 N ATOM 446 CA ILE A 33 5.273 -4.656 -2.918 1.00 0.00 C ATOM 447 C ILE A 33 6.794 -4.634 -3.019 1.00 0.00 C ATOM 448 O ILE A 33 7.465 -3.904 -2.288 1.00 0.00 O ATOM 449 CB ILE A 33 4.688 -3.647 -3.924 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.180 -3.500 -3.713 1.00 0.00 C ATOM 451 CG2 ILE A 33 4.989 -4.086 -5.350 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.736 -2.068 -3.505 1.00 0.00 C ATOM 0 H ILE A 33 4.184 -3.584 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 33 4.910 -5.654 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 33 5.155 -2.677 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.658 -3.912 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.883 -4.093 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.569 -3.363 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.068 -4.145 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.545 -5.065 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.656 -2.039 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.230 -1.658 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.002 -1.474 -4.379 1.00 0.00 H new ATOM 464 N ALA A 34 7.333 -5.435 -3.933 1.00 0.00 N ATOM 465 CA ALA A 34 8.775 -5.505 -4.132 1.00 0.00 C ATOM 466 C ALA A 34 9.121 -5.575 -5.615 1.00 0.00 C ATOM 467 O ALA A 34 10.004 -4.863 -6.091 1.00 0.00 O ATOM 468 CB ALA A 34 9.352 -6.705 -3.395 1.00 0.00 C ATOM 0 H ALA A 34 6.792 -6.044 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 34 9.218 -4.596 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.430 -6.745 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.144 -6.612 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.896 -7.619 -3.775 1.00 0.00 H new ATOM 474 N SER A 35 8.419 -6.441 -6.342 1.00 0.00 N ATOM 475 CA SER A 35 8.655 -6.606 -7.771 1.00 0.00 C ATOM 476 C SER A 35 7.485 -6.060 -8.583 1.00 0.00 C ATOM 477 O SER A 35 7.253 -6.477 -9.717 1.00 0.00 O ATOM 478 CB SER A 35 8.877 -8.083 -8.104 1.00 0.00 C ATOM 479 OG SER A 35 10.071 -8.265 -8.845 1.00 0.00 O ATOM 0 H SER A 35 7.683 -7.038 -5.964 1.00 0.00 H new ATOM 0 HA SER A 35 9.550 -6.042 -8.034 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.925 -8.663 -7.183 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.029 -8.462 -8.675 1.00 0.00 H new ATOM 0 HG SER A 35 10.191 -9.217 -9.044 1.00 0.00 H new ATOM 485 N GLY A 36 6.750 -5.123 -7.992 1.00 0.00 N ATOM 486 CA GLY A 36 5.612 -4.534 -8.673 1.00 0.00 C ATOM 487 C GLY A 36 5.245 -3.172 -8.118 1.00 0.00 C ATOM 488 O GLY A 36 4.065 -2.861 -7.946 1.00 0.00 O ATOM 0 H GLY A 36 6.922 -4.761 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.837 -4.441 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.755 -5.202 -8.585 1.00 0.00 H new ATOM 492 N LEU A 37 6.256 -2.359 -7.836 1.00 0.00 N ATOM 493 CA LEU A 37 6.034 -1.022 -7.295 1.00 0.00 C ATOM 494 C LEU A 37 6.111 0.031 -8.395 1.00 0.00 C ATOM 495 O LEU A 37 7.155 0.213 -9.023 1.00 0.00 O ATOM 496 CB LEU A 37 7.063 -0.714 -6.205 1.00 0.00 C ATOM 497 CG LEU A 37 6.521 -0.053 -4.937 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.592 0.810 -4.286 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.286 0.777 -5.255 1.00 0.00 C ATOM 0 H LEU A 37 7.237 -2.601 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 37 5.034 -0.994 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.554 -1.645 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.829 -0.065 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 37 6.237 -0.836 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.189 1.273 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.449 0.190 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.907 1.587 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.914 1.240 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.545 1.553 -5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.514 0.133 -5.676 1.00 0.00 H new ATOM 511 N THR A 38 5.000 0.723 -8.623 1.00 0.00 N ATOM 512 CA THR A 38 4.942 1.759 -9.647 1.00 0.00 C ATOM 513 C THR A 38 3.946 2.850 -9.270 1.00 0.00 C ATOM 514 O THR A 38 2.875 2.566 -8.733 1.00 0.00 O ATOM 515 CB THR A 38 4.551 1.174 -11.017 1.00 0.00 C ATOM 516 OG1 THR A 38 3.419 0.307 -10.875 1.00 0.00 O ATOM 517 CG2 THR A 38 5.712 0.404 -11.628 1.00 0.00 C ATOM 0 H THR A 38 4.128 0.585 -8.113 1.00 0.00 H new ATOM 0 HA THR A 38 5.941 2.191 -9.716 1.00 0.00 H new ATOM 0 HB THR A 38 4.294 2.000 -11.680 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.176 -0.059 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.412 0.000 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.562 1.073 -11.762 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.995 -0.414 -10.965 1.00 0.00 H new ATOM 525 N ASP A 39 4.304 4.096 -9.555 1.00 0.00 N ATOM 526 CA ASP A 39 3.440 5.231 -9.248 1.00 0.00 C ATOM 527 C ASP A 39 2.024 4.989 -9.760 1.00 0.00 C ATOM 528 O ASP A 39 1.047 5.245 -9.056 1.00 0.00 O ATOM 529 CB ASP A 39 4.006 6.512 -9.862 1.00 0.00 C ATOM 530 CG ASP A 39 4.056 7.656 -8.869 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.979 8.175 -8.506 1.00 0.00 O ATOM 532 OD2 ASP A 39 5.171 8.033 -8.453 1.00 0.00 O ATOM 0 H ASP A 39 5.187 4.347 -9.999 1.00 0.00 H new ATOM 0 HA ASP A 39 3.401 5.344 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.010 6.318 -10.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.395 6.803 -10.717 1.00 0.00 H new ATOM 537 N GLN A 40 1.921 4.495 -10.990 1.00 0.00 N ATOM 538 CA GLN A 40 0.623 4.221 -11.597 1.00 0.00 C ATOM 539 C GLN A 40 -0.161 3.207 -10.770 1.00 0.00 C ATOM 540 O GLN A 40 -1.391 3.238 -10.734 1.00 0.00 O ATOM 541 CB GLN A 40 0.804 3.703 -13.024 1.00 0.00 C ATOM 542 CG GLN A 40 -0.505 3.365 -13.718 1.00 0.00 C ATOM 543 CD GLN A 40 -0.585 3.930 -15.122 1.00 0.00 C ATOM 544 OE1 GLN A 40 -1.017 5.066 -15.324 1.00 0.00 O ATOM 545 NE2 GLN A 40 -0.166 3.139 -16.105 1.00 0.00 N ATOM 0 H GLN A 40 2.720 4.276 -11.585 1.00 0.00 H new ATOM 0 HA GLN A 40 0.058 5.153 -11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.333 4.454 -13.610 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.434 2.814 -13.002 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.621 2.282 -13.759 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.335 3.752 -13.127 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.185 2.205 -15.894 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.195 3.466 -17.071 1.00 0.00 H new ATOM 554 N LEU A 41 0.559 2.309 -10.107 1.00 0.00 N ATOM 555 CA LEU A 41 -0.069 1.284 -9.280 1.00 0.00 C ATOM 556 C LEU A 41 -0.709 1.901 -8.041 1.00 0.00 C ATOM 557 O LEU A 41 -1.918 1.793 -7.836 1.00 0.00 O ATOM 558 CB LEU A 41 0.961 0.232 -8.866 1.00 0.00 C ATOM 559 CG LEU A 41 0.414 -0.986 -8.121 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.440 -1.838 -9.046 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.553 -1.808 -7.535 1.00 0.00 C ATOM 0 H LEU A 41 1.578 2.270 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.851 0.805 -9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.476 -0.116 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.709 0.713 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.214 -0.636 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.821 -2.700 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.276 -1.246 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.164 -2.180 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.145 -2.671 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.207 -2.149 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.124 -1.194 -6.838 1.00 0.00 H new ATOM 573 N MET A 42 0.109 2.550 -7.220 1.00 0.00 N ATOM 574 CA MET A 42 -0.378 3.189 -6.002 1.00 0.00 C ATOM 575 C MET A 42 -1.454 4.221 -6.323 1.00 0.00 C ATOM 576 O MET A 42 -2.450 4.336 -5.608 1.00 0.00 O ATOM 577 CB MET A 42 0.777 3.854 -5.252 1.00 0.00 C ATOM 578 CG MET A 42 1.867 2.882 -4.829 1.00 0.00 C ATOM 579 SD MET A 42 1.243 1.548 -3.789 1.00 0.00 S ATOM 580 CE MET A 42 0.904 0.291 -5.019 1.00 0.00 C ATOM 0 H MET A 42 1.112 2.648 -7.375 1.00 0.00 H new ATOM 0 HA MET A 42 -0.817 2.419 -5.368 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.215 4.625 -5.886 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.384 4.354 -4.367 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.334 2.457 -5.717 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.643 3.425 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.804 -0.678 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.023 0.532 -5.540 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.724 0.253 -5.736 1.00 0.00 H new ATOM 590 N ARG A 43 -1.246 4.971 -7.401 1.00 0.00 N ATOM 591 CA ARG A 43 -2.198 5.995 -7.814 1.00 0.00 C ATOM 592 C ARG A 43 -3.550 5.375 -8.154 1.00 0.00 C ATOM 593 O ARG A 43 -4.592 5.852 -7.705 1.00 0.00 O ATOM 594 CB ARG A 43 -1.659 6.764 -9.021 1.00 0.00 C ATOM 595 CG ARG A 43 -2.696 7.653 -9.689 1.00 0.00 C ATOM 596 CD ARG A 43 -2.246 8.088 -11.076 1.00 0.00 C ATOM 597 NE ARG A 43 -2.567 9.488 -11.341 1.00 0.00 N ATOM 598 CZ ARG A 43 -2.366 10.078 -12.514 1.00 0.00 C ATOM 599 NH1 ARG A 43 -1.846 9.394 -13.524 1.00 0.00 N ATOM 600 NH2 ARG A 43 -2.684 11.356 -12.677 1.00 0.00 N ATOM 0 H ARG A 43 -0.427 4.888 -8.004 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.334 6.686 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.817 7.378 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.277 6.053 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.642 7.117 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.875 8.533 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.171 7.938 -11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.724 7.458 -11.826 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.967 10.043 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.599 8.412 -13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.693 9.850 -14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.083 11.885 -11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.530 11.809 -13.578 1.00 0.00 H new ATOM 614 N GLN A 44 -3.524 4.311 -8.951 1.00 0.00 N ATOM 615 CA GLN A 44 -4.748 3.628 -9.352 1.00 0.00 C ATOM 616 C GLN A 44 -5.375 2.895 -8.170 1.00 0.00 C ATOM 617 O GLN A 44 -6.598 2.806 -8.059 1.00 0.00 O ATOM 618 CB GLN A 44 -4.458 2.640 -10.483 1.00 0.00 C ATOM 619 CG GLN A 44 -5.619 2.464 -11.449 1.00 0.00 C ATOM 620 CD GLN A 44 -5.167 2.361 -12.892 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.106 1.811 -13.184 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.975 2.889 -13.805 1.00 0.00 N ATOM 0 H GLN A 44 -2.669 3.904 -9.331 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.454 4.379 -9.706 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.584 2.981 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.204 1.671 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.176 1.566 -11.182 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.303 3.306 -11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.846 3.336 -13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.724 2.847 -14.793 1.00 0.00 H new ATOM 631 N THR A 45 -4.529 2.372 -7.288 1.00 0.00 N ATOM 632 CA THR A 45 -4.999 1.646 -6.115 1.00 0.00 C ATOM 633 C THR A 45 -5.743 2.571 -5.158 1.00 0.00 C ATOM 634 O THR A 45 -6.845 2.258 -4.707 1.00 0.00 O ATOM 635 CB THR A 45 -3.833 0.978 -5.363 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.360 -0.155 -6.099 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.266 0.540 -3.973 1.00 0.00 C ATOM 0 H THR A 45 -3.514 2.438 -7.364 1.00 0.00 H new ATOM 0 HA THR A 45 -5.680 0.874 -6.473 1.00 0.00 H new ATOM 0 HB THR A 45 -3.029 1.707 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.801 0.149 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.426 0.071 -3.461 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.598 1.409 -3.405 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.085 -0.174 -4.055 1.00 0.00 H new ATOM 645 N PHE A 46 -5.134 3.712 -4.852 1.00 0.00 N ATOM 646 CA PHE A 46 -5.739 4.683 -3.949 1.00 0.00 C ATOM 647 C PHE A 46 -6.616 5.669 -4.715 1.00 0.00 C ATOM 648 O PHE A 46 -7.418 6.391 -4.126 1.00 0.00 O ATOM 649 CB PHE A 46 -4.655 5.439 -3.178 1.00 0.00 C ATOM 650 CG PHE A 46 -3.923 4.589 -2.180 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.514 4.248 -0.974 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.645 4.127 -2.449 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.843 3.466 -0.054 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.968 3.344 -1.533 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.569 3.012 -0.335 1.00 0.00 C ATOM 0 H PHE A 46 -4.222 3.986 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.367 4.141 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.937 5.851 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.111 6.282 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.511 4.598 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.172 4.382 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.314 3.210 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.971 2.993 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.044 2.398 0.382 1.00 0.00 H new ATOM 665 N SER A 47 -6.455 5.691 -6.035 1.00 0.00 N ATOM 666 CA SER A 47 -7.228 6.590 -6.884 1.00 0.00 C ATOM 667 C SER A 47 -8.664 6.708 -6.385 1.00 0.00 C ATOM 668 O SER A 47 -9.138 7.785 -6.024 1.00 0.00 O ATOM 669 CB SER A 47 -7.218 6.094 -8.331 1.00 0.00 C ATOM 670 OG SER A 47 -8.474 6.305 -8.951 1.00 0.00 O ATOM 0 H SER A 47 -5.797 5.097 -6.539 1.00 0.00 H new ATOM 0 HA SER A 47 -6.765 7.576 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.441 6.613 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.972 5.032 -8.353 1.00 0.00 H new ATOM 0 HG SER A 47 -8.441 5.981 -9.875 1.00 0.00 H new ATOM 676 N PRO A 48 -9.378 5.571 -6.363 1.00 0.00 N ATOM 677 CA PRO A 48 -10.771 5.519 -5.910 1.00 0.00 C ATOM 678 C PRO A 48 -10.900 5.744 -4.408 1.00 0.00 C ATOM 679 O PRO A 48 -11.706 6.560 -3.960 1.00 0.00 O ATOM 680 CB PRO A 48 -11.211 4.100 -6.279 1.00 0.00 C ATOM 681 CG PRO A 48 -9.949 3.308 -6.306 1.00 0.00 C ATOM 682 CD PRO A 48 -8.877 4.250 -6.779 1.00 0.00 C ATOM 0 HA PRO A 48 -11.378 6.300 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.914 3.701 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.712 4.080 -7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.714 2.915 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.040 2.453 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.913 4.024 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.740 4.194 -7.859 1.00 0.00 H new ATOM 690 N PHE A 49 -10.102 5.016 -3.634 1.00 0.00 N ATOM 691 CA PHE A 49 -10.129 5.136 -2.181 1.00 0.00 C ATOM 692 C PHE A 49 -10.282 6.594 -1.759 1.00 0.00 C ATOM 693 O PHE A 49 -10.813 6.889 -0.689 1.00 0.00 O ATOM 694 CB PHE A 49 -8.851 4.550 -1.576 1.00 0.00 C ATOM 695 CG PHE A 49 -8.996 3.119 -1.142 1.00 0.00 C ATOM 696 CD1 PHE A 49 -9.974 2.753 -0.231 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.154 2.140 -1.643 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.110 1.438 0.173 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.285 0.823 -1.245 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.263 0.472 -0.335 1.00 0.00 C ATOM 0 H PHE A 49 -9.429 4.337 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.988 4.576 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.047 4.620 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.554 5.154 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.639 3.505 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.386 2.409 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.876 1.167 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.623 0.069 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.365 -0.556 -0.021 1.00 0.00 H new ATOM 710 N GLY A 50 -9.813 7.503 -2.608 1.00 0.00 N ATOM 711 CA GLY A 50 -9.906 8.919 -2.305 1.00 0.00 C ATOM 712 C GLY A 50 -8.990 9.759 -3.173 1.00 0.00 C ATOM 713 O GLY A 50 -8.461 9.277 -4.174 1.00 0.00 O ATOM 0 H GLY A 50 -9.370 7.284 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.935 9.250 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.656 9.080 -1.256 1.00 0.00 H new ATOM 717 N GLN A 51 -8.807 11.019 -2.791 1.00 0.00 N ATOM 718 CA GLN A 51 -7.951 11.928 -3.544 1.00 0.00 C ATOM 719 C GLN A 51 -6.501 11.815 -3.087 1.00 0.00 C ATOM 720 O GLN A 51 -6.216 11.817 -1.888 1.00 0.00 O ATOM 721 CB GLN A 51 -8.437 13.369 -3.386 1.00 0.00 C ATOM 722 CG GLN A 51 -7.839 14.329 -4.402 1.00 0.00 C ATOM 723 CD GLN A 51 -8.778 15.465 -4.754 1.00 0.00 C ATOM 724 OE1 GLN A 51 -9.274 16.171 -3.875 1.00 0.00 O ATOM 725 NE2 GLN A 51 -9.028 15.649 -6.046 1.00 0.00 N ATOM 0 H GLN A 51 -9.240 11.433 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.004 11.648 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.523 13.389 -3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.193 13.718 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.911 14.740 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.583 13.780 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.595 15.040 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.652 16.399 -6.343 1.00 0.00 H new ATOM 734 N ILE A 52 -5.587 11.716 -4.047 1.00 0.00 N ATOM 735 CA ILE A 52 -4.167 11.603 -3.742 1.00 0.00 C ATOM 736 C ILE A 52 -3.438 12.914 -4.021 1.00 0.00 C ATOM 737 O ILE A 52 -3.655 13.547 -5.052 1.00 0.00 O ATOM 738 CB ILE A 52 -3.503 10.477 -4.555 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.195 9.141 -4.277 1.00 0.00 C ATOM 740 CG2 ILE A 52 -2.020 10.390 -4.228 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.989 8.114 -5.369 1.00 0.00 C ATOM 0 H ILE A 52 -5.806 11.712 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.091 11.366 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.608 10.705 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.823 8.738 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.264 9.314 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.565 9.589 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.537 11.336 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.893 10.182 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.508 7.192 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.387 8.497 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.924 7.911 -5.482 1.00 0.00 H new ATOM 753 N MET A 53 -2.574 13.312 -3.094 1.00 0.00 N ATOM 754 CA MET A 53 -1.810 14.547 -3.242 1.00 0.00 C ATOM 755 C MET A 53 -0.405 14.258 -3.758 1.00 0.00 C ATOM 756 O MET A 53 -0.015 14.733 -4.823 1.00 0.00 O ATOM 757 CB MET A 53 -1.734 15.288 -1.906 1.00 0.00 C ATOM 758 CG MET A 53 -3.030 15.243 -1.111 1.00 0.00 C ATOM 759 SD MET A 53 -4.492 15.378 -2.159 1.00 0.00 S ATOM 760 CE MET A 53 -4.208 16.967 -2.935 1.00 0.00 C ATOM 0 H MET A 53 -2.385 12.799 -2.233 1.00 0.00 H new ATOM 0 HA MET A 53 -2.322 15.177 -3.969 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.934 14.856 -1.305 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.467 16.328 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.075 14.310 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.033 16.054 -0.383 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.130 17.549 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.431 17.504 -2.391 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.890 16.816 -3.967 1.00 0.00 H new ATOM 770 N GLU A 54 0.353 13.476 -2.994 1.00 0.00 N ATOM 771 CA GLU A 54 1.716 13.126 -3.374 1.00 0.00 C ATOM 772 C GLU A 54 1.936 11.619 -3.282 1.00 0.00 C ATOM 773 O GLU A 54 1.451 10.966 -2.358 1.00 0.00 O ATOM 774 CB GLU A 54 2.721 13.856 -2.481 1.00 0.00 C ATOM 775 CG GLU A 54 4.018 14.211 -3.189 1.00 0.00 C ATOM 776 CD GLU A 54 4.699 15.424 -2.586 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.388 16.554 -3.014 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.545 15.242 -1.684 1.00 0.00 O ATOM 0 H GLU A 54 0.045 13.073 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 54 1.869 13.435 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.262 14.769 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.948 13.231 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.696 13.359 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.812 14.401 -4.242 1.00 0.00 H new ATOM 785 N ILE A 55 2.671 11.074 -4.246 1.00 0.00 N ATOM 786 CA ILE A 55 2.957 9.645 -4.274 1.00 0.00 C ATOM 787 C ILE A 55 4.450 9.387 -4.443 1.00 0.00 C ATOM 788 O ILE A 55 5.091 9.956 -5.326 1.00 0.00 O ATOM 789 CB ILE A 55 2.192 8.940 -5.409 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.684 8.998 -5.150 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.656 7.497 -5.544 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.136 8.269 -6.191 1.00 0.00 C ATOM 0 H ILE A 55 3.079 11.601 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 55 2.627 9.238 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 55 2.402 9.458 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.475 8.570 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.369 10.041 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.106 7.012 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.722 7.477 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.472 6.967 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.194 8.352 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.044 8.711 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.151 7.218 -6.210 1.00 0.00 H new ATOM 804 N ARG A 56 4.996 8.522 -3.595 1.00 0.00 N ATOM 805 CA ARG A 56 6.413 8.186 -3.652 1.00 0.00 C ATOM 806 C ARG A 56 6.616 6.674 -3.618 1.00 0.00 C ATOM 807 O ARG A 56 6.373 6.028 -2.598 1.00 0.00 O ATOM 808 CB ARG A 56 7.161 8.838 -2.488 1.00 0.00 C ATOM 809 CG ARG A 56 8.123 9.932 -2.918 1.00 0.00 C ATOM 810 CD ARG A 56 9.202 9.393 -3.844 1.00 0.00 C ATOM 811 NE ARG A 56 9.034 9.868 -5.215 1.00 0.00 N ATOM 812 CZ ARG A 56 9.966 9.747 -6.155 1.00 0.00 C ATOM 813 NH1 ARG A 56 11.125 9.168 -5.872 1.00 0.00 N ATOM 814 NH2 ARG A 56 9.738 10.204 -7.379 1.00 0.00 N ATOM 0 H ARG A 56 4.478 8.041 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 56 6.813 8.568 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.436 9.257 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.715 8.070 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.572 10.725 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.587 10.377 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.182 9.695 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.178 8.303 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 56 8.153 10.317 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.302 8.815 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.839 9.076 -6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.847 10.649 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.454 10.111 -8.100 1.00 0.00 H new ATOM 828 N VAL A 57 7.062 6.116 -4.738 1.00 0.00 N ATOM 829 CA VAL A 57 7.298 4.681 -4.837 1.00 0.00 C ATOM 830 C VAL A 57 8.773 4.351 -4.632 1.00 0.00 C ATOM 831 O VAL A 57 9.644 4.913 -5.296 1.00 0.00 O ATOM 832 CB VAL A 57 6.845 4.130 -6.202 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.469 4.667 -6.564 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.862 4.477 -7.280 1.00 0.00 C ATOM 0 H VAL A 57 7.267 6.637 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 57 6.710 4.209 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 57 6.779 3.044 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.165 4.267 -7.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.749 4.364 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.505 5.755 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.526 4.080 -8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.962 5.560 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.827 4.040 -7.024 1.00 0.00 H new ATOM 844 N PHE A 58 9.045 3.436 -3.707 1.00 0.00 N ATOM 845 CA PHE A 58 10.415 3.031 -3.414 1.00 0.00 C ATOM 846 C PHE A 58 10.621 1.550 -3.717 1.00 0.00 C ATOM 847 O PHE A 58 10.547 0.694 -2.834 1.00 0.00 O ATOM 848 CB PHE A 58 10.750 3.315 -1.948 1.00 0.00 C ATOM 849 CG PHE A 58 11.163 4.736 -1.693 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.270 5.777 -1.886 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.447 5.031 -1.259 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.647 7.086 -1.652 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.829 6.337 -1.022 1.00 0.00 C ATOM 854 CZ PHE A 58 11.928 7.367 -1.220 1.00 0.00 C ATOM 0 H PHE A 58 8.336 2.962 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 58 11.083 3.610 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.881 3.082 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.553 2.649 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.267 5.563 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.156 4.231 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.941 7.888 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.831 6.554 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.226 8.389 -1.037 1.00 0.00 H new ATOM 864 N PRO A 59 10.884 1.238 -4.994 1.00 0.00 N ATOM 865 CA PRO A 59 11.106 -0.139 -5.444 1.00 0.00 C ATOM 866 C PRO A 59 12.422 -0.712 -4.930 1.00 0.00 C ATOM 867 O PRO A 59 12.719 -1.889 -5.133 1.00 0.00 O ATOM 868 CB PRO A 59 11.137 -0.014 -6.969 1.00 0.00 C ATOM 869 CG PRO A 59 11.558 1.391 -7.225 1.00 0.00 C ATOM 870 CD PRO A 59 10.987 2.207 -6.098 1.00 0.00 C ATOM 0 HA PRO A 59 10.337 -0.817 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.837 -0.724 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.159 -0.219 -7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.644 1.473 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.185 1.741 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.636 3.044 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.015 2.626 -6.357 1.00 0.00 H new ATOM 878 N GLU A 60 13.208 0.127 -4.262 1.00 0.00 N ATOM 879 CA GLU A 60 14.493 -0.296 -3.719 1.00 0.00 C ATOM 880 C GLU A 60 14.378 -0.610 -2.231 1.00 0.00 C ATOM 881 O GLU A 60 15.171 -1.378 -1.684 1.00 0.00 O ATOM 882 CB GLU A 60 15.549 0.788 -3.943 1.00 0.00 C ATOM 883 CG GLU A 60 15.411 1.974 -3.005 1.00 0.00 C ATOM 884 CD GLU A 60 15.621 3.302 -3.707 1.00 0.00 C ATOM 885 OE1 GLU A 60 16.789 3.723 -3.843 1.00 0.00 O ATOM 886 OE2 GLU A 60 14.618 3.919 -4.122 1.00 0.00 O ATOM 0 H GLU A 60 12.977 1.104 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 60 14.798 -1.203 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.539 0.350 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.484 1.140 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.420 1.960 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.134 1.877 -2.195 1.00 0.00 H new ATOM 893 N LYS A 61 13.386 -0.012 -1.581 1.00 0.00 N ATOM 894 CA LYS A 61 13.166 -0.227 -0.156 1.00 0.00 C ATOM 895 C LYS A 61 12.009 -1.194 0.076 1.00 0.00 C ATOM 896 O LYS A 61 11.987 -1.925 1.065 1.00 0.00 O ATOM 897 CB LYS A 61 12.879 1.104 0.543 1.00 0.00 C ATOM 898 CG LYS A 61 14.101 1.997 0.674 1.00 0.00 C ATOM 899 CD LYS A 61 15.260 1.264 1.327 1.00 0.00 C ATOM 900 CE LYS A 61 15.920 2.111 2.404 1.00 0.00 C ATOM 901 NZ LYS A 61 16.597 1.274 3.432 1.00 0.00 N ATOM 0 H LYS A 61 12.721 0.626 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 61 14.072 -0.664 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.107 1.637 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.477 0.904 1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.402 2.350 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.848 2.878 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.902 0.332 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.997 0.998 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.647 2.780 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.169 2.738 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.034 1.889 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.899 0.653 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.332 0.694 2.979 1.00 0.00 H new ATOM 915 N GLY A 62 11.049 -1.194 -0.844 1.00 0.00 N ATOM 916 CA GLY A 62 9.904 -2.076 -0.722 1.00 0.00 C ATOM 917 C GLY A 62 8.722 -1.402 -0.054 1.00 0.00 C ATOM 918 O GLY A 62 7.947 -2.048 0.652 1.00 0.00 O ATOM 0 H GLY A 62 11.044 -0.598 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.609 -2.422 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.188 -2.958 -0.148 1.00 0.00 H new ATOM 922 N TYR A 63 8.583 -0.099 -0.274 1.00 0.00 N ATOM 923 CA TYR A 63 7.489 0.664 0.315 1.00 0.00 C ATOM 924 C TYR A 63 7.145 1.876 -0.545 1.00 0.00 C ATOM 925 O TYR A 63 7.872 2.215 -1.479 1.00 0.00 O ATOM 926 CB TYR A 63 7.858 1.114 1.729 1.00 0.00 C ATOM 927 CG TYR A 63 8.671 2.389 1.765 1.00 0.00 C ATOM 928 CD1 TYR A 63 10.044 2.366 1.555 1.00 0.00 C ATOM 929 CD2 TYR A 63 8.067 3.616 2.009 1.00 0.00 C ATOM 930 CE1 TYR A 63 10.791 3.527 1.588 1.00 0.00 C ATOM 931 CE2 TYR A 63 8.805 4.783 2.043 1.00 0.00 C ATOM 932 CZ TYR A 63 10.168 4.733 1.832 1.00 0.00 C ATOM 933 OH TYR A 63 10.909 5.892 1.864 1.00 0.00 O ATOM 0 H TYR A 63 9.215 0.451 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 63 6.613 0.017 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.944 1.259 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.421 0.320 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 63 10.536 1.424 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.001 3.658 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.858 3.491 1.424 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.319 5.728 2.233 1.00 0.00 H new ATOM 0 HH TYR A 63 11.367 6.011 1.006 1.00 0.00 H new ATOM 943 N SER A 64 6.032 2.526 -0.222 1.00 0.00 N ATOM 944 CA SER A 64 5.589 3.700 -0.965 1.00 0.00 C ATOM 945 C SER A 64 4.841 4.669 -0.055 1.00 0.00 C ATOM 946 O SER A 64 4.439 4.313 1.054 1.00 0.00 O ATOM 947 CB SER A 64 4.691 3.282 -2.131 1.00 0.00 C ATOM 948 OG SER A 64 3.921 4.375 -2.599 1.00 0.00 O ATOM 0 H SER A 64 5.420 2.260 0.549 1.00 0.00 H new ATOM 0 HA SER A 64 6.471 4.205 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.303 2.890 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.029 2.476 -1.814 1.00 0.00 H new ATOM 0 HG SER A 64 2.979 4.235 -2.367 1.00 0.00 H new ATOM 954 N PHE A 65 4.659 5.896 -0.530 1.00 0.00 N ATOM 955 CA PHE A 65 3.960 6.919 0.240 1.00 0.00 C ATOM 956 C PHE A 65 2.701 7.383 -0.488 1.00 0.00 C ATOM 957 O PHE A 65 2.641 7.369 -1.718 1.00 0.00 O ATOM 958 CB PHE A 65 4.883 8.112 0.499 1.00 0.00 C ATOM 959 CG PHE A 65 5.498 8.107 1.869 1.00 0.00 C ATOM 960 CD1 PHE A 65 4.704 8.019 2.999 1.00 0.00 C ATOM 961 CD2 PHE A 65 6.873 8.191 2.024 1.00 0.00 C ATOM 962 CE1 PHE A 65 5.268 8.013 4.261 1.00 0.00 C ATOM 963 CE2 PHE A 65 7.442 8.185 3.283 1.00 0.00 C ATOM 964 CZ PHE A 65 6.640 8.098 4.403 1.00 0.00 C ATOM 0 H PHE A 65 4.986 6.207 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 65 3.666 6.482 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.677 8.115 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.317 9.034 0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.631 7.954 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.506 8.262 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.637 7.942 5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.515 8.248 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.084 8.096 5.388 1.00 0.00 H new ATOM 974 N VAL A 66 1.698 7.793 0.280 1.00 0.00 N ATOM 975 CA VAL A 66 0.441 8.262 -0.289 1.00 0.00 C ATOM 976 C VAL A 66 -0.307 9.160 0.692 1.00 0.00 C ATOM 977 O VAL A 66 -0.928 8.679 1.639 1.00 0.00 O ATOM 978 CB VAL A 66 -0.470 7.085 -0.685 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.732 7.591 -1.367 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.278 6.113 -1.586 1.00 0.00 C ATOM 0 H VAL A 66 1.731 7.810 1.299 1.00 0.00 H new ATOM 0 HA VAL A 66 0.693 8.834 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.763 6.555 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.363 6.745 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.276 8.245 -0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.462 8.146 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.380 5.287 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.602 6.630 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.149 5.725 -1.058 1.00 0.00 H new ATOM 990 N ARG A 67 -0.242 10.467 0.457 1.00 0.00 N ATOM 991 CA ARG A 67 -0.911 11.432 1.319 1.00 0.00 C ATOM 992 C ARG A 67 -2.199 11.937 0.674 1.00 0.00 C ATOM 993 O ARG A 67 -2.220 12.279 -0.508 1.00 0.00 O ATOM 994 CB ARG A 67 0.018 12.611 1.619 1.00 0.00 C ATOM 995 CG ARG A 67 1.189 12.249 2.519 1.00 0.00 C ATOM 996 CD ARG A 67 2.051 13.463 2.824 1.00 0.00 C ATOM 997 NE ARG A 67 2.433 14.181 1.610 1.00 0.00 N ATOM 998 CZ ARG A 67 2.764 15.468 1.591 1.00 0.00 C ATOM 999 NH1 ARG A 67 2.760 16.174 2.714 1.00 0.00 N ATOM 1000 NH2 ARG A 67 3.099 16.052 0.447 1.00 0.00 N ATOM 0 H ARG A 67 0.268 10.881 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.165 10.931 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.402 13.009 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.559 13.407 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.816 11.823 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.796 11.482 2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.508 14.136 3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.948 13.146 3.356 1.00 0.00 H new ATOM 0 HE ARG A 67 2.446 13.667 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.502 15.729 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.015 17.162 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.103 15.513 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.353 17.040 0.434 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.270 11.979 1.459 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.562 12.440 0.964 1.00 0.00 C ATOM 1016 C PHE A 68 -4.840 13.870 1.419 1.00 0.00 C ATOM 1017 O PHE A 68 -4.187 14.381 2.329 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.678 11.513 1.449 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.621 10.139 0.844 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.567 9.286 1.129 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.620 9.701 -0.009 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.511 8.021 0.575 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.570 8.437 -0.566 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.513 7.596 -0.275 1.00 0.00 C ATOM 0 H PHE A 68 -3.269 11.700 2.440 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.533 12.423 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.622 11.426 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.642 11.965 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.780 9.613 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.448 10.355 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.684 7.366 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.357 8.107 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.471 6.609 -0.711 1.00 0.00 H new ATOM 1034 N SER A 69 -5.814 14.509 0.780 1.00 0.00 N ATOM 1035 CA SER A 69 -6.176 15.882 1.115 1.00 0.00 C ATOM 1036 C SER A 69 -6.952 15.934 2.427 1.00 0.00 C ATOM 1037 O SER A 69 -7.063 16.987 3.056 1.00 0.00 O ATOM 1038 CB SER A 69 -7.011 16.500 -0.009 1.00 0.00 C ATOM 1039 OG SER A 69 -8.000 15.594 -0.467 1.00 0.00 O ATOM 0 H SER A 69 -6.367 14.099 0.027 1.00 0.00 H new ATOM 0 HA SER A 69 -5.257 16.456 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.487 17.413 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.360 16.782 -0.837 1.00 0.00 H new ATOM 0 HG SER A 69 -8.521 16.013 -1.184 1.00 0.00 H new ATOM 1045 N THR A 70 -7.488 14.787 2.837 1.00 0.00 N ATOM 1046 CA THR A 70 -8.254 14.701 4.074 1.00 0.00 C ATOM 1047 C THR A 70 -7.835 13.488 4.896 1.00 0.00 C ATOM 1048 O THR A 70 -7.156 12.591 4.396 1.00 0.00 O ATOM 1049 CB THR A 70 -9.767 14.620 3.793 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.054 13.473 2.985 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.254 15.877 3.089 1.00 0.00 C ATOM 0 H THR A 70 -7.405 13.906 2.330 1.00 0.00 H new ATOM 0 HA THR A 70 -8.045 15.609 4.640 1.00 0.00 H new ATOM 0 HB THR A 70 -10.288 14.532 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.018 13.427 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.325 15.797 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.060 16.745 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.727 15.991 2.142 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.245 13.465 6.160 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.913 12.360 7.052 1.00 0.00 C ATOM 1061 C HIS A 71 -8.847 11.177 6.821 1.00 0.00 C ATOM 1062 O HIS A 71 -8.425 10.022 6.872 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.994 12.812 8.511 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.259 11.915 9.458 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.884 11.808 9.479 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.714 11.080 10.421 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.527 10.945 10.414 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.618 10.489 11.001 1.00 0.00 N ATOM 0 H HIS A 71 -8.808 14.199 6.590 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.893 12.043 6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.591 13.821 8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.041 12.862 8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.747 10.910 10.685 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.514 10.661 10.657 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.643 9.809 11.761 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.119 11.472 6.569 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.112 10.431 6.332 1.00 0.00 C ATOM 1078 C GLU A 72 -10.661 9.492 5.216 1.00 0.00 C ATOM 1079 O GLU A 72 -10.355 8.325 5.460 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.461 11.056 5.973 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.261 11.514 7.181 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.334 12.524 6.821 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -15.126 12.246 5.898 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -14.378 13.594 7.465 1.00 0.00 O ATOM 0 H GLU A 72 -10.485 12.423 6.524 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.220 9.852 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.293 11.908 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.050 10.331 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.726 10.649 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.585 11.953 7.915 1.00 0.00 H new ATOM 1091 N SER A 73 -10.623 10.010 3.994 1.00 0.00 N ATOM 1092 CA SER A 73 -10.214 9.218 2.840 1.00 0.00 C ATOM 1093 C SER A 73 -9.000 8.356 3.175 1.00 0.00 C ATOM 1094 O SER A 73 -8.973 7.161 2.881 1.00 0.00 O ATOM 1095 CB SER A 73 -9.892 10.132 1.655 1.00 0.00 C ATOM 1096 OG SER A 73 -11.032 10.877 1.262 1.00 0.00 O ATOM 0 H SER A 73 -10.871 10.975 3.776 1.00 0.00 H new ATOM 0 HA SER A 73 -11.041 8.562 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.084 10.812 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.537 9.534 0.816 1.00 0.00 H new ATOM 0 HG SER A 73 -10.988 11.774 1.655 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.998 8.972 3.795 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.783 8.262 4.172 1.00 0.00 C ATOM 1104 C ALA A 74 -7.095 7.100 5.109 1.00 0.00 C ATOM 1105 O ALA A 74 -6.605 5.987 4.918 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.794 9.216 4.824 1.00 0.00 C ATOM 0 H ALA A 74 -8.005 9.961 4.046 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.334 7.855 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.891 8.671 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.538 10.010 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.243 9.651 5.717 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.913 7.366 6.123 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.290 6.341 7.088 1.00 0.00 C ATOM 1114 C ALA A 75 -8.997 5.175 6.404 1.00 0.00 C ATOM 1115 O ALA A 75 -8.740 4.013 6.717 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.179 6.938 8.169 1.00 0.00 C ATOM 0 H ALA A 75 -8.327 8.282 6.297 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.380 5.959 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.454 6.162 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.640 7.733 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.081 7.347 7.714 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.887 5.494 5.469 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.629 4.473 4.741 1.00 0.00 C ATOM 1124 C HIS A 76 -9.680 3.521 4.021 1.00 0.00 C ATOM 1125 O HIS A 76 -9.699 2.313 4.258 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.579 5.123 3.735 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.754 5.801 4.371 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.809 5.111 4.931 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.036 7.114 4.536 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.689 5.971 5.411 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.244 7.194 5.185 1.00 0.00 N ATOM 0 H HIS A 76 -10.111 6.452 5.199 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.212 3.900 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.025 5.853 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.940 4.361 3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.425 7.945 4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.615 5.717 5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -14.720 8.057 5.449 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.852 4.072 3.140 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.895 3.272 2.386 1.00 0.00 C ATOM 1141 C ALA A 77 -6.986 2.481 3.320 1.00 0.00 C ATOM 1142 O ALA A 77 -6.566 1.369 2.996 1.00 0.00 O ATOM 1143 CB ALA A 77 -7.068 4.163 1.471 1.00 0.00 C ATOM 0 H ALA A 77 -8.825 5.070 2.931 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.453 2.561 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.357 3.553 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.727 4.680 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.526 4.896 2.069 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.685 3.059 4.477 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.826 2.407 5.457 1.00 0.00 C ATOM 1151 C ILE A 78 -6.519 1.198 6.077 1.00 0.00 C ATOM 1152 O ILE A 78 -6.040 0.069 5.966 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.412 3.377 6.578 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.362 4.365 6.065 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.881 2.606 7.778 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.015 5.450 7.061 1.00 0.00 C ATOM 0 H ILE A 78 -7.024 3.979 4.759 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.933 2.079 4.924 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.290 3.940 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.456 3.818 5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.728 4.828 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.593 3.306 8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.657 1.939 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.013 2.019 7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.265 6.113 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.911 6.023 7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.619 4.997 7.970 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.651 1.441 6.729 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.413 0.372 7.364 1.00 0.00 C ATOM 1170 C VAL A 79 -8.582 -0.816 6.423 1.00 0.00 C ATOM 1171 O VAL A 79 -8.593 -1.968 6.857 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.803 0.862 7.811 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.674 1.905 8.911 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.577 1.419 6.625 1.00 0.00 C ATOM 0 H VAL A 79 -8.061 2.369 6.832 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.848 0.059 8.242 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.357 0.013 8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.666 2.239 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.161 1.468 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.102 2.756 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.557 1.761 6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.028 2.256 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.701 0.640 5.873 1.00 0.00 H new ATOM 1184 N SER A 80 -8.715 -0.527 5.132 1.00 0.00 N ATOM 1185 CA SER A 80 -8.886 -1.572 4.130 1.00 0.00 C ATOM 1186 C SER A 80 -7.537 -2.135 3.694 1.00 0.00 C ATOM 1187 O SER A 80 -7.193 -3.272 4.016 1.00 0.00 O ATOM 1188 CB SER A 80 -9.639 -1.023 2.916 1.00 0.00 C ATOM 1189 OG SER A 80 -11.041 -1.085 3.114 1.00 0.00 O ATOM 0 H SER A 80 -8.708 0.421 4.756 1.00 0.00 H new ATOM 0 HA SER A 80 -9.468 -2.378 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.340 0.009 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.369 -1.594 2.028 1.00 0.00 H new ATOM 0 HG SER A 80 -11.499 -0.727 2.325 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.777 -1.330 2.959 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.465 -1.746 2.478 1.00 0.00 C ATOM 1197 C VAL A 81 -4.677 -2.454 3.575 1.00 0.00 C ATOM 1198 O VAL A 81 -3.856 -3.327 3.298 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.647 -0.544 1.970 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.186 -0.930 1.786 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.232 -0.013 0.670 1.00 0.00 C ATOM 0 H VAL A 81 -7.047 -0.386 2.684 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.635 -2.437 1.652 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.698 0.248 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.624 -0.068 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.774 -1.260 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.112 -1.739 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.642 0.836 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.213 -0.799 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.261 0.305 0.837 1.00 0.00 H new ATOM 1211 N ASN A 82 -4.935 -2.073 4.822 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.251 -2.672 5.962 1.00 0.00 C ATOM 1213 C ASN A 82 -4.549 -4.166 6.052 1.00 0.00 C ATOM 1214 O ASN A 82 -5.449 -4.587 6.778 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.671 -1.978 7.259 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.040 -2.609 8.484 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -4.336 -3.754 8.829 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -3.164 -1.865 9.149 1.00 0.00 N ATOM 0 H ASN A 82 -5.613 -1.352 5.069 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.178 -2.541 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.392 -0.926 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.756 -2.016 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.707 -2.237 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.948 -0.921 8.828 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.786 -4.962 5.309 1.00 0.00 N ATOM 1226 CA GLY A 83 -3.983 -6.400 5.320 1.00 0.00 C ATOM 1227 C GLY A 83 -4.439 -6.932 3.976 1.00 0.00 C ATOM 1228 O GLY A 83 -5.049 -7.998 3.896 1.00 0.00 O ATOM 0 H GLY A 83 -3.035 -4.637 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.051 -6.889 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.722 -6.657 6.079 1.00 0.00 H new ATOM 1232 N THR A 84 -4.143 -6.187 2.915 1.00 0.00 N ATOM 1233 CA THR A 84 -4.528 -6.589 1.568 1.00 0.00 C ATOM 1234 C THR A 84 -3.336 -7.145 0.797 1.00 0.00 C ATOM 1235 O THR A 84 -2.183 -6.875 1.138 1.00 0.00 O ATOM 1236 CB THR A 84 -5.129 -5.410 0.780 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.172 -4.348 0.682 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.394 -4.899 1.452 1.00 0.00 C ATOM 0 H THR A 84 -3.638 -5.302 2.963 1.00 0.00 H new ATOM 0 HA THR A 84 -5.283 -7.368 1.675 1.00 0.00 H new ATOM 0 HB THR A 84 -5.385 -5.762 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.038 -3.946 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.800 -4.067 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.130 -5.701 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.159 -4.562 2.462 1.00 0.00 H new ATOM 1246 N THR A 85 -3.619 -7.921 -0.243 1.00 0.00 N ATOM 1247 CA THR A 85 -2.570 -8.516 -1.061 1.00 0.00 C ATOM 1248 C THR A 85 -2.615 -7.980 -2.488 1.00 0.00 C ATOM 1249 O THR A 85 -3.537 -8.283 -3.247 1.00 0.00 O ATOM 1250 CB THR A 85 -2.689 -10.052 -1.099 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.954 -10.554 0.215 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.413 -10.680 -1.638 1.00 0.00 C ATOM 0 H THR A 85 -4.567 -8.153 -0.539 1.00 0.00 H new ATOM 0 HA THR A 85 -1.620 -8.244 -0.602 1.00 0.00 H new ATOM 0 HB THR A 85 -3.513 -10.315 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.030 -11.531 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.521 -11.765 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.228 -10.317 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.575 -10.409 -0.996 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.615 -7.182 -2.847 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.541 -6.605 -4.184 1.00 0.00 C ATOM 1262 C ILE A 86 -0.557 -7.373 -5.060 1.00 0.00 C ATOM 1263 O ILE A 86 0.630 -7.457 -4.749 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.121 -5.125 -4.135 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.234 -4.276 -3.517 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.780 -4.624 -5.532 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.833 -2.838 -3.275 1.00 0.00 C ATOM 0 H ILE A 86 -0.845 -6.920 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.540 -6.677 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.232 -5.036 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.103 -4.297 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.539 -4.724 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.485 -3.576 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.042 -5.213 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.653 -4.724 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.670 -2.296 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.983 -2.807 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.556 -2.373 -4.221 1.00 0.00 H new ATOM 1279 N GLU A 87 -1.059 -7.931 -6.157 1.00 0.00 N ATOM 1280 CA GLU A 87 -0.223 -8.691 -7.078 1.00 0.00 C ATOM 1281 C GLU A 87 0.377 -9.912 -6.388 1.00 0.00 C ATOM 1282 O GLU A 87 1.366 -10.477 -6.852 1.00 0.00 O ATOM 1283 CB GLU A 87 0.893 -7.807 -7.637 1.00 0.00 C ATOM 1284 CG GLU A 87 0.387 -6.575 -8.368 1.00 0.00 C ATOM 1285 CD GLU A 87 -0.196 -6.903 -9.729 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.554 -7.405 -10.591 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -1.404 -6.657 -9.930 1.00 0.00 O ATOM 0 H GLU A 87 -2.040 -7.871 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.852 -9.033 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.540 -7.493 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.505 -8.397 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.373 -6.083 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.207 -5.867 -8.489 1.00 0.00 H new ATOM 1294 N GLY A 88 -0.231 -10.314 -5.275 1.00 0.00 N ATOM 1295 CA GLY A 88 0.256 -11.465 -4.538 1.00 0.00 C ATOM 1296 C GLY A 88 1.242 -11.082 -3.452 1.00 0.00 C ATOM 1297 O GLY A 88 1.942 -11.938 -2.908 1.00 0.00 O ATOM 0 H GLY A 88 -1.052 -9.863 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.588 -11.990 -4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.733 -12.160 -5.229 1.00 0.00 H new ATOM 1301 N HIS A 89 1.300 -9.792 -3.135 1.00 0.00 N ATOM 1302 CA HIS A 89 2.209 -9.298 -2.107 1.00 0.00 C ATOM 1303 C HIS A 89 1.446 -8.531 -1.031 1.00 0.00 C ATOM 1304 O HIS A 89 0.776 -7.539 -1.318 1.00 0.00 O ATOM 1305 CB HIS A 89 3.277 -8.399 -2.730 1.00 0.00 C ATOM 1306 CG HIS A 89 4.037 -9.054 -3.842 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.188 -9.785 -3.638 1.00 0.00 N ATOM 1308 CD2 HIS A 89 3.803 -9.086 -5.174 1.00 0.00 C ATOM 1309 CE1 HIS A 89 5.631 -10.236 -4.798 1.00 0.00 C ATOM 1310 NE2 HIS A 89 4.808 -9.827 -5.746 1.00 0.00 N ATOM 0 H HIS A 89 0.729 -9.071 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 89 2.694 -10.156 -1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.802 -7.494 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.978 -8.090 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.979 -8.616 -5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.516 -10.837 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.903 -10.029 -6.741 1.00 0.00 H new ATOM 1318 N VAL A 90 1.552 -8.998 0.210 1.00 0.00 N ATOM 1319 CA VAL A 90 0.872 -8.357 1.329 1.00 0.00 C ATOM 1320 C VAL A 90 1.417 -6.953 1.571 1.00 0.00 C ATOM 1321 O VAL A 90 2.630 -6.750 1.641 1.00 0.00 O ATOM 1322 CB VAL A 90 1.017 -9.181 2.622 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.420 -9.761 2.731 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.687 -8.328 3.837 1.00 0.00 C ATOM 0 H VAL A 90 2.102 -9.818 0.465 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.183 -8.295 1.064 1.00 0.00 H new ATOM 0 HB VAL A 90 0.309 -10.009 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.504 -10.340 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.614 -10.408 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.149 -8.951 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.795 -8.926 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.368 -7.478 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.339 -7.967 3.761 1.00 0.00 H new ATOM 1334 N VAL A 91 0.514 -5.987 1.699 1.00 0.00 N ATOM 1335 CA VAL A 91 0.903 -4.602 1.935 1.00 0.00 C ATOM 1336 C VAL A 91 0.451 -4.131 3.313 1.00 0.00 C ATOM 1337 O VAL A 91 -0.484 -4.683 3.894 1.00 0.00 O ATOM 1338 CB VAL A 91 0.315 -3.663 0.866 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.668 -4.154 -0.530 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.193 -3.545 1.032 1.00 0.00 C ATOM 0 H VAL A 91 -0.493 -6.138 1.643 1.00 0.00 H new ATOM 0 HA VAL A 91 1.991 -4.566 1.880 1.00 0.00 H new ATOM 0 HB VAL A 91 0.752 -2.673 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.244 -3.477 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.752 -4.182 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.262 -5.155 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.592 -2.878 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.649 -4.530 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.420 -3.143 2.019 1.00 0.00 H new ATOM 1350 N LYS A 92 1.121 -3.108 3.832 1.00 0.00 N ATOM 1351 CA LYS A 92 0.789 -2.560 5.142 1.00 0.00 C ATOM 1352 C LYS A 92 0.513 -1.063 5.051 1.00 0.00 C ATOM 1353 O LYS A 92 1.362 -0.291 4.604 1.00 0.00 O ATOM 1354 CB LYS A 92 1.928 -2.820 6.130 1.00 0.00 C ATOM 1355 CG LYS A 92 3.207 -2.075 5.794 1.00 0.00 C ATOM 1356 CD LYS A 92 4.406 -2.671 6.512 1.00 0.00 C ATOM 1357 CE LYS A 92 5.171 -3.633 5.617 1.00 0.00 C ATOM 1358 NZ LYS A 92 6.612 -3.266 5.512 1.00 0.00 N ATOM 0 H LYS A 92 1.898 -2.641 3.365 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.113 -3.057 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.603 -2.533 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.137 -3.889 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.375 -2.106 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.101 -1.026 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.070 -1.871 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.072 -3.194 7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.082 -4.645 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.724 -3.638 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.099 -3.946 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.698 -2.310 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.045 -3.286 6.457 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.679 -0.659 5.478 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.067 0.747 5.445 1.00 0.00 C ATOM 1374 C CYS A 93 -0.945 1.377 6.829 1.00 0.00 C ATOM 1375 O CYS A 93 -1.616 0.959 7.774 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.500 0.891 4.930 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.635 1.787 3.365 1.00 0.00 S ATOM 0 H CYS A 93 -1.393 -1.285 5.851 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.392 1.269 4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.932 -0.102 4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.096 1.406 5.684 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.660 1.437 2.579 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.085 2.383 6.943 1.00 0.00 N ATOM 1384 CA TYR A 94 0.127 3.067 8.212 1.00 0.00 C ATOM 1385 C TYR A 94 -0.020 4.578 8.048 1.00 0.00 C ATOM 1386 O TYR A 94 -0.284 5.071 6.952 1.00 0.00 O ATOM 1387 CB TYR A 94 1.513 2.736 8.768 1.00 0.00 C ATOM 1388 CG TYR A 94 1.765 1.252 8.923 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.783 0.411 9.431 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.984 0.694 8.560 1.00 0.00 C ATOM 1391 CE1 TYR A 94 1.008 -0.945 9.575 1.00 0.00 C ATOM 1392 CE2 TYR A 94 3.218 -0.661 8.699 1.00 0.00 C ATOM 1393 CZ TYR A 94 2.227 -1.476 9.207 1.00 0.00 C ATOM 1394 OH TYR A 94 2.457 -2.825 9.347 1.00 0.00 O ATOM 0 H TYR A 94 0.477 2.743 6.171 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.631 2.720 8.914 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.271 3.158 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.631 3.219 9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.173 0.824 9.718 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.762 1.329 8.163 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.234 -1.585 9.973 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.171 -1.080 8.412 1.00 0.00 H new ATOM 0 HH TYR A 94 1.613 -3.313 9.247 1.00 0.00 H new ATOM 1404 N TRP A 95 0.154 5.303 9.146 1.00 0.00 N ATOM 1405 CA TRP A 95 0.042 6.758 9.125 1.00 0.00 C ATOM 1406 C TRP A 95 1.407 7.407 8.931 1.00 0.00 C ATOM 1407 O TRP A 95 2.070 7.782 9.896 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.594 7.259 10.423 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.092 7.200 10.412 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.887 6.441 11.222 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.972 7.927 9.549 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.210 6.652 10.913 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.288 7.560 9.892 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.777 8.853 8.521 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.401 8.088 9.242 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.882 9.376 7.877 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.181 8.993 8.238 1.00 0.00 C ATOM 0 H TRP A 95 0.373 4.909 10.061 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.594 7.036 8.285 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.220 6.663 11.256 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.279 8.287 10.600 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.529 5.773 11.992 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -5.004 6.205 11.370 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.780 9.155 8.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.402 7.794 9.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.742 10.093 7.081 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.024 9.419 7.715 1.00 0.00 H new ATOM 1428 N GLY A 96 1.823 7.534 7.674 1.00 0.00 N ATOM 1429 CA GLY A 96 3.108 8.139 7.376 1.00 0.00 C ATOM 1430 C GLY A 96 3.400 9.343 8.250 1.00 0.00 C ATOM 1431 O GLY A 96 2.804 10.405 8.075 1.00 0.00 O ATOM 0 H GLY A 96 1.293 7.229 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.895 7.397 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.130 8.441 6.329 1.00 0.00 H new