USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 Single : A 9 GLN : amide:sc= -1.5! X(o=-1.5!,f=-1.2) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 25 THR OG1 : rot 125:sc= 1.3 USER MOD Single : A 26 THR OG1 : rot -149:sc= 0.538 USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 2.37 (180deg=1.86) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= 0.466 (180deg=-0.185) USER MOD Single : A 41 SER OG : rot 139:sc= 1.38 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0934 USER MOD Single : A 50 GLN : amide:sc= -0.196 K(o=-0.2,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc=-0.000491 (180deg=-0.157) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.816 K(o=-0.82,f=-4.2!) USER MOD Single : A 60 GLN : amide:sc= 0.273 X(o=0.27,f=-0.064) USER MOD Single : A 61 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 65 THR OG1 : rot -67:sc= 1.54 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0607 USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= -0.583! (180deg=-1.89!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.804 K(o=-0.8,f=-0.15) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 0.015 13.991 -9.162 1.00 0.00 N ATOM 135 CA GLN A 9 0.222 12.581 -9.448 1.00 0.00 C ATOM 136 C GLN A 9 1.656 12.352 -9.917 1.00 0.00 C ATOM 137 O GLN A 9 2.034 12.733 -11.026 1.00 0.00 O ATOM 138 CB GLN A 9 -0.773 12.111 -10.505 1.00 0.00 C ATOM 139 CG GLN A 9 -1.014 10.610 -10.519 1.00 0.00 C ATOM 140 CD GLN A 9 -2.165 10.224 -11.430 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.100 10.998 -11.628 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.117 9.024 -11.986 1.00 0.00 N ATOM 0 HA GLN A 9 0.058 12.002 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.724 12.618 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.413 12.418 -11.487 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.107 10.101 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.224 10.268 -9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.326 8.407 -11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.871 8.716 -12.600 1.00 0.00 H new ATOM 151 N ASP A 10 2.450 11.755 -9.048 1.00 0.00 N ATOM 152 CA ASP A 10 3.866 11.538 -9.319 1.00 0.00 C ATOM 153 C ASP A 10 4.132 10.045 -9.477 1.00 0.00 C ATOM 154 O ASP A 10 3.228 9.227 -9.286 1.00 0.00 O ATOM 155 CB ASP A 10 4.729 12.121 -8.191 1.00 0.00 C ATOM 156 CG ASP A 10 6.089 12.597 -8.677 1.00 0.00 C ATOM 157 OD1 ASP A 10 6.870 11.773 -9.192 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.378 13.809 -8.558 1.00 0.00 O ATOM 0 H ASP A 10 2.139 11.408 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 10 4.132 12.049 -10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.201 12.955 -7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.868 11.365 -7.418 1.00 0.00 H new ATOM 163 N ASN A 11 5.368 9.689 -9.789 1.00 0.00 N ATOM 164 CA ASN A 11 5.713 8.309 -10.108 1.00 0.00 C ATOM 165 C ASN A 11 6.536 7.682 -8.989 1.00 0.00 C ATOM 166 O ASN A 11 7.458 8.300 -8.456 1.00 0.00 O ATOM 167 CB ASN A 11 6.483 8.243 -11.431 1.00 0.00 C ATOM 168 CG ASN A 11 5.638 8.661 -12.620 1.00 0.00 C ATOM 169 OD1 ASN A 11 4.978 7.836 -13.249 1.00 0.00 O ATOM 170 ND2 ASN A 11 5.662 9.947 -12.944 1.00 0.00 N ATOM 0 H ASN A 11 6.154 10.338 -9.829 1.00 0.00 H new ATOM 0 HA ASN A 11 4.787 7.743 -10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.360 8.887 -11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.844 7.226 -11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.120 10.283 -13.740 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.222 10.600 -12.397 1.00 0.00 H new ATOM 177 N PHE A 12 6.194 6.452 -8.636 1.00 0.00 N ATOM 178 CA PHE A 12 6.882 5.729 -7.576 1.00 0.00 C ATOM 179 C PHE A 12 7.405 4.402 -8.107 1.00 0.00 C ATOM 180 O PHE A 12 6.691 3.678 -8.804 1.00 0.00 O ATOM 181 CB PHE A 12 5.933 5.479 -6.400 1.00 0.00 C ATOM 182 CG PHE A 12 5.272 6.726 -5.878 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.934 7.561 -4.992 1.00 0.00 C ATOM 184 CD2 PHE A 12 3.988 7.064 -6.277 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.329 8.708 -4.513 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.379 8.210 -5.802 1.00 0.00 C ATOM 187 CZ PHE A 12 4.050 9.034 -4.919 1.00 0.00 C ATOM 0 H PHE A 12 5.436 5.929 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 12 7.721 6.333 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.163 4.773 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.489 5.007 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.935 7.313 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.458 6.424 -6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.856 9.349 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.378 8.462 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.576 9.930 -4.547 1.00 0.00 H new ATOM 197 N VAL A 13 8.648 4.088 -7.781 1.00 0.00 N ATOM 198 CA VAL A 13 9.259 2.842 -8.219 1.00 0.00 C ATOM 199 C VAL A 13 8.955 1.735 -7.218 1.00 0.00 C ATOM 200 O VAL A 13 9.486 1.724 -6.109 1.00 0.00 O ATOM 201 CB VAL A 13 10.789 2.984 -8.389 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.398 1.683 -8.896 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.119 4.138 -9.328 1.00 0.00 C ATOM 0 H VAL A 13 9.255 4.679 -7.214 1.00 0.00 H new ATOM 0 HA VAL A 13 8.835 2.589 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 13 11.223 3.203 -7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.475 1.805 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.196 0.884 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.959 1.427 -9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.200 4.222 -9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.671 3.952 -10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.722 5.066 -8.917 1.00 0.00 H new ATOM 213 N VAL A 14 8.082 0.823 -7.604 1.00 0.00 N ATOM 214 CA VAL A 14 7.662 -0.251 -6.721 1.00 0.00 C ATOM 215 C VAL A 14 8.395 -1.537 -7.070 1.00 0.00 C ATOM 216 O VAL A 14 8.091 -2.191 -8.068 1.00 0.00 O ATOM 217 CB VAL A 14 6.140 -0.483 -6.800 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.699 -1.540 -5.799 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.390 0.819 -6.565 1.00 0.00 C ATOM 0 H VAL A 14 7.648 0.804 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 14 7.910 0.043 -5.701 1.00 0.00 H new ATOM 0 HB VAL A 14 5.903 -0.844 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.621 -1.685 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.208 -2.480 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.951 -1.213 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.317 0.637 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.638 1.209 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.677 1.546 -7.324 1.00 0.00 H new ATOM 229 N LEU A 15 9.371 -1.890 -6.254 1.00 0.00 N ATOM 230 CA LEU A 15 10.154 -3.082 -6.501 1.00 0.00 C ATOM 231 C LEU A 15 9.563 -4.267 -5.758 1.00 0.00 C ATOM 232 O LEU A 15 9.722 -4.399 -4.540 1.00 0.00 O ATOM 233 CB LEU A 15 11.614 -2.874 -6.095 1.00 0.00 C ATOM 234 CG LEU A 15 12.349 -1.774 -6.869 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.808 -1.709 -6.449 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.231 -2.004 -8.366 1.00 0.00 C ATOM 0 H LEU A 15 9.638 -1.370 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 15 10.126 -3.289 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.650 -2.636 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.151 -3.813 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 15 11.883 -0.818 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.313 -0.922 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.870 -1.492 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.288 -2.666 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.759 -1.213 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.669 -2.969 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.180 -1.996 -8.654 1.00 0.00 H new ATOM 248 N GLU A 16 8.857 -5.106 -6.498 1.00 0.00 N ATOM 249 CA GLU A 16 8.283 -6.317 -5.945 1.00 0.00 C ATOM 250 C GLU A 16 9.289 -7.449 -6.108 1.00 0.00 C ATOM 251 O GLU A 16 10.207 -7.343 -6.924 1.00 0.00 O ATOM 252 CB GLU A 16 6.960 -6.646 -6.649 1.00 0.00 C ATOM 253 CG GLU A 16 6.079 -7.621 -5.886 1.00 0.00 C ATOM 254 CD GLU A 16 4.730 -7.825 -6.546 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.819 -6.996 -6.323 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.577 -8.811 -7.287 1.00 0.00 O ATOM 0 H GLU A 16 8.668 -4.967 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 16 8.066 -6.180 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.406 -5.721 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.178 -7.062 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.589 -8.581 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.931 -7.253 -4.871 1.00 0.00 H new ATOM 354 N PHE A 23 7.845 1.050 -12.125 1.00 0.00 N ATOM 355 CA PHE A 23 7.440 2.332 -11.590 1.00 0.00 C ATOM 356 C PHE A 23 6.052 2.679 -12.103 1.00 0.00 C ATOM 357 O PHE A 23 5.756 2.503 -13.287 1.00 0.00 O ATOM 358 CB PHE A 23 8.454 3.435 -11.948 1.00 0.00 C ATOM 359 CG PHE A 23 8.551 3.747 -13.420 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.284 2.935 -14.272 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.909 4.858 -13.948 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.373 3.225 -15.620 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.995 5.151 -15.295 1.00 0.00 C ATOM 364 CZ PHE A 23 8.727 4.333 -16.132 1.00 0.00 C ATOM 0 HA PHE A 23 7.411 2.264 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.183 4.346 -11.414 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.438 3.136 -11.588 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.791 2.067 -13.878 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.335 5.502 -13.298 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.948 2.585 -16.273 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.490 6.019 -15.693 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.794 4.559 -17.186 1.00 0.00 H new ATOM 374 N LEU A 24 5.198 3.137 -11.211 1.00 0.00 N ATOM 375 CA LEU A 24 3.842 3.503 -11.574 1.00 0.00 C ATOM 376 C LEU A 24 3.425 4.759 -10.830 1.00 0.00 C ATOM 377 O LEU A 24 4.059 5.150 -9.847 1.00 0.00 O ATOM 378 CB LEU A 24 2.850 2.354 -11.315 1.00 0.00 C ATOM 379 CG LEU A 24 2.886 1.713 -9.920 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.576 0.995 -9.644 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.038 0.723 -9.805 1.00 0.00 C ATOM 0 H LEU A 24 5.420 3.266 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 24 3.823 3.705 -12.645 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.842 2.729 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.033 1.573 -12.053 1.00 0.00 H new ATOM 0 HG LEU A 24 3.032 2.507 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.610 0.543 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.753 1.709 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.423 0.217 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.041 0.283 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.917 -0.065 -10.549 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.982 1.241 -9.976 1.00 0.00 H new ATOM 393 N THR A 25 2.373 5.392 -11.308 1.00 0.00 N ATOM 394 CA THR A 25 1.949 6.672 -10.783 1.00 0.00 C ATOM 395 C THR A 25 1.141 6.512 -9.489 1.00 0.00 C ATOM 396 O THR A 25 0.768 5.400 -9.108 1.00 0.00 O ATOM 397 CB THR A 25 1.129 7.425 -11.841 1.00 0.00 C ATOM 398 OG1 THR A 25 1.240 6.746 -13.101 1.00 0.00 O ATOM 399 CG2 THR A 25 1.626 8.854 -11.997 1.00 0.00 C ATOM 0 H THR A 25 1.792 5.036 -12.067 1.00 0.00 H new ATOM 0 HA THR A 25 2.840 7.251 -10.541 1.00 0.00 H new ATOM 0 HB THR A 25 0.088 7.451 -11.518 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.345 6.536 -13.440 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.029 9.366 -12.752 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.534 9.377 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.671 8.844 -12.306 1.00 0.00 H new ATOM 407 N THR A 26 0.878 7.638 -8.828 1.00 0.00 N ATOM 408 CA THR A 26 0.237 7.666 -7.512 1.00 0.00 C ATOM 409 C THR A 26 -1.064 6.858 -7.454 1.00 0.00 C ATOM 410 O THR A 26 -1.254 6.051 -6.545 1.00 0.00 O ATOM 411 CB THR A 26 -0.064 9.118 -7.104 1.00 0.00 C ATOM 412 OG1 THR A 26 1.080 9.942 -7.369 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.428 9.213 -5.631 1.00 0.00 C ATOM 0 H THR A 26 1.105 8.563 -9.192 1.00 0.00 H new ATOM 0 HA THR A 26 0.942 7.204 -6.820 1.00 0.00 H new ATOM 0 HB THR A 26 -0.915 9.465 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.114 10.673 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.635 10.252 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.313 8.607 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.403 8.848 -5.027 1.00 0.00 H new ATOM 421 N ILE A 27 -1.951 7.077 -8.417 1.00 0.00 N ATOM 422 CA ILE A 27 -3.271 6.449 -8.394 1.00 0.00 C ATOM 423 C ILE A 27 -3.169 4.937 -8.579 1.00 0.00 C ATOM 424 O ILE A 27 -3.786 4.166 -7.844 1.00 0.00 O ATOM 425 CB ILE A 27 -4.194 7.047 -9.476 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.436 8.533 -9.199 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.517 6.295 -9.542 1.00 0.00 C ATOM 428 CD1 ILE A 27 -5.091 8.811 -7.859 1.00 0.00 C ATOM 0 H ILE A 27 -1.784 7.682 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.705 6.651 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.701 6.944 -10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.483 9.060 -9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.063 8.942 -9.991 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.149 6.737 -10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.329 5.249 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.021 6.361 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.229 9.885 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.060 8.314 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.455 8.434 -7.058 1.00 0.00 H new ATOM 440 N GLU A 28 -2.374 4.526 -9.551 1.00 0.00 N ATOM 441 CA GLU A 28 -2.182 3.115 -9.844 1.00 0.00 C ATOM 442 C GLU A 28 -1.539 2.393 -8.662 1.00 0.00 C ATOM 443 O GLU A 28 -1.867 1.242 -8.369 1.00 0.00 O ATOM 444 CB GLU A 28 -1.332 2.945 -11.108 1.00 0.00 C ATOM 445 CG GLU A 28 -1.915 3.642 -12.331 1.00 0.00 C ATOM 446 CD GLU A 28 -1.401 5.059 -12.526 1.00 0.00 C ATOM 447 OE1 GLU A 28 -1.515 5.889 -11.596 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.861 5.345 -13.616 1.00 0.00 O ATOM 0 H GLU A 28 -1.846 5.155 -10.156 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.160 2.667 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.332 3.336 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.223 1.882 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.682 3.054 -13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.001 3.667 -12.241 1.00 0.00 H new ATOM 455 N LEU A 29 -0.623 3.077 -7.982 1.00 0.00 N ATOM 456 CA LEU A 29 -0.005 2.533 -6.778 1.00 0.00 C ATOM 457 C LEU A 29 -1.037 2.402 -5.664 1.00 0.00 C ATOM 458 O LEU A 29 -1.022 1.434 -4.902 1.00 0.00 O ATOM 459 CB LEU A 29 1.160 3.414 -6.316 1.00 0.00 C ATOM 460 CG LEU A 29 1.749 3.058 -4.947 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.313 1.645 -4.954 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.823 4.061 -4.554 1.00 0.00 C ATOM 0 H LEU A 29 -0.293 4.006 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 29 0.386 1.544 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.954 3.357 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.822 4.450 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 29 0.949 3.101 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.726 1.413 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.518 0.937 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.099 1.571 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.231 3.794 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.621 4.050 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.388 5.059 -4.504 1.00 0.00 H new ATOM 474 N LEU A 30 -1.933 3.376 -5.584 1.00 0.00 N ATOM 475 CA LEU A 30 -3.001 3.360 -4.595 1.00 0.00 C ATOM 476 C LEU A 30 -3.851 2.104 -4.780 1.00 0.00 C ATOM 477 O LEU A 30 -4.155 1.398 -3.818 1.00 0.00 O ATOM 478 CB LEU A 30 -3.873 4.615 -4.737 1.00 0.00 C ATOM 479 CG LEU A 30 -4.283 5.297 -3.427 1.00 0.00 C ATOM 480 CD1 LEU A 30 -5.196 6.481 -3.712 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.960 4.312 -2.490 1.00 0.00 C ATOM 0 H LEU A 30 -1.941 4.192 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.564 3.353 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.336 5.340 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.777 4.346 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.382 5.663 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.480 6.956 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.672 7.202 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.091 6.134 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.241 4.821 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.853 3.909 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.273 3.498 -2.260 1.00 0.00 H new ATOM 493 N GLU A 31 -4.212 1.823 -6.027 1.00 0.00 N ATOM 494 CA GLU A 31 -5.010 0.647 -6.348 1.00 0.00 C ATOM 495 C GLU A 31 -4.235 -0.645 -6.093 1.00 0.00 C ATOM 496 O GLU A 31 -4.809 -1.645 -5.662 1.00 0.00 O ATOM 497 CB GLU A 31 -5.495 0.695 -7.795 1.00 0.00 C ATOM 498 CG GLU A 31 -6.445 1.846 -8.075 1.00 0.00 C ATOM 499 CD GLU A 31 -7.153 1.704 -9.405 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.975 0.772 -9.545 1.00 0.00 O ATOM 501 OE2 GLU A 31 -6.915 2.532 -10.306 1.00 0.00 O ATOM 0 H GLU A 31 -3.964 2.396 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.878 0.655 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.633 0.776 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.993 -0.244 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.186 1.904 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.889 2.783 -8.062 1.00 0.00 H new ATOM 508 N LYS A 32 -2.933 -0.625 -6.345 1.00 0.00 N ATOM 509 CA LYS A 32 -2.112 -1.799 -6.098 1.00 0.00 C ATOM 510 C LYS A 32 -2.031 -2.081 -4.597 1.00 0.00 C ATOM 511 O LYS A 32 -2.251 -3.210 -4.153 1.00 0.00 O ATOM 512 CB LYS A 32 -0.708 -1.621 -6.679 1.00 0.00 C ATOM 513 CG LYS A 32 0.117 -2.899 -6.637 1.00 0.00 C ATOM 514 CD LYS A 32 1.505 -2.707 -7.228 1.00 0.00 C ATOM 515 CE LYS A 32 2.219 -4.041 -7.419 1.00 0.00 C ATOM 516 NZ LYS A 32 2.362 -4.797 -6.143 1.00 0.00 N ATOM 0 H LYS A 32 -2.429 0.181 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.579 -2.650 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.788 -1.280 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.187 -0.840 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.207 -3.237 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.404 -3.684 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.426 -2.195 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.096 -2.067 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.666 -4.647 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.206 -3.864 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.073 -5.547 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.665 -4.149 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.448 -5.223 -5.888 1.00 0.00 H new ATOM 530 N LEU A 33 -1.739 -1.042 -3.822 1.00 0.00 N ATOM 531 CA LEU A 33 -1.622 -1.172 -2.374 1.00 0.00 C ATOM 532 C LEU A 33 -2.948 -1.551 -1.737 1.00 0.00 C ATOM 533 O LEU A 33 -2.975 -2.355 -0.813 1.00 0.00 O ATOM 534 CB LEU A 33 -1.101 0.121 -1.748 1.00 0.00 C ATOM 535 CG LEU A 33 0.406 0.332 -1.859 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.793 1.677 -1.271 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.156 -0.788 -1.150 1.00 0.00 C ATOM 0 H LEU A 33 -1.579 -0.098 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.907 -1.973 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.606 0.964 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.377 0.133 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 33 0.680 0.318 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.871 1.815 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.281 2.472 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.505 1.711 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.229 -0.621 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.878 -0.802 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.898 -1.744 -1.606 1.00 0.00 H new ATOM 549 N LYS A 34 -4.048 -0.987 -2.227 1.00 0.00 N ATOM 550 CA LYS A 34 -5.352 -1.277 -1.645 1.00 0.00 C ATOM 551 C LYS A 34 -5.730 -2.741 -1.874 1.00 0.00 C ATOM 552 O LYS A 34 -6.467 -3.321 -1.087 1.00 0.00 O ATOM 553 CB LYS A 34 -6.438 -0.335 -2.190 1.00 0.00 C ATOM 554 CG LYS A 34 -6.785 -0.545 -3.651 1.00 0.00 C ATOM 555 CD LYS A 34 -7.710 0.547 -4.169 1.00 0.00 C ATOM 556 CE LYS A 34 -9.041 0.562 -3.437 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.875 -0.626 -3.760 1.00 0.00 N ATOM 0 H LYS A 34 -4.063 -0.337 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.282 -1.104 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.342 -0.462 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.108 0.695 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.871 -0.560 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.262 -1.517 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.224 1.516 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.884 0.399 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.862 0.596 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.587 1.469 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.799 -0.539 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.013 -0.684 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.397 -1.487 -3.426 1.00 0.00 H new ATOM 571 N GLY A 35 -5.204 -3.334 -2.944 1.00 0.00 N ATOM 572 CA GLY A 35 -5.423 -4.748 -3.187 1.00 0.00 C ATOM 573 C GLY A 35 -4.586 -5.612 -2.263 1.00 0.00 C ATOM 574 O GLY A 35 -5.102 -6.520 -1.601 1.00 0.00 O ATOM 0 H GLY A 35 -4.632 -2.861 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.478 -4.982 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.179 -4.981 -4.223 1.00 0.00 H new ATOM 578 N GLU A 36 -3.292 -5.319 -2.209 1.00 0.00 N ATOM 579 CA GLU A 36 -2.383 -6.037 -1.325 1.00 0.00 C ATOM 580 C GLU A 36 -2.812 -5.888 0.135 1.00 0.00 C ATOM 581 O GLU A 36 -2.759 -6.839 0.906 1.00 0.00 O ATOM 582 CB GLU A 36 -0.945 -5.535 -1.499 1.00 0.00 C ATOM 583 CG GLU A 36 -0.090 -6.389 -2.430 1.00 0.00 C ATOM 584 CD GLU A 36 -0.452 -6.255 -3.896 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.537 -6.718 -4.292 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.367 -5.706 -4.667 1.00 0.00 O ATOM 0 H GLU A 36 -2.849 -4.589 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.422 -7.092 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.973 -4.515 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.466 -5.494 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.957 -6.115 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.185 -7.435 -2.137 1.00 0.00 H new ATOM 593 N LEU A 37 -3.252 -4.695 0.495 1.00 0.00 N ATOM 594 CA LEU A 37 -3.659 -4.401 1.861 1.00 0.00 C ATOM 595 C LEU A 37 -4.957 -5.120 2.224 1.00 0.00 C ATOM 596 O LEU A 37 -5.080 -5.663 3.320 1.00 0.00 O ATOM 597 CB LEU A 37 -3.824 -2.887 2.036 1.00 0.00 C ATOM 598 CG LEU A 37 -4.251 -2.418 3.429 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.239 -2.837 4.478 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.427 -0.912 3.442 1.00 0.00 C ATOM 0 H LEU A 37 -3.338 -3.906 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.882 -4.762 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.878 -2.407 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.561 -2.535 1.314 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.204 -2.889 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.567 -2.491 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.153 -3.924 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.269 -2.398 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.731 -0.590 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.484 -0.433 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.193 -0.629 2.720 1.00 0.00 H new ATOM 612 N GLU A 38 -5.912 -5.148 1.299 1.00 0.00 N ATOM 613 CA GLU A 38 -7.221 -5.723 1.588 1.00 0.00 C ATOM 614 C GLU A 38 -7.149 -7.246 1.693 1.00 0.00 C ATOM 615 O GLU A 38 -8.026 -7.873 2.289 1.00 0.00 O ATOM 616 CB GLU A 38 -8.254 -5.309 0.536 1.00 0.00 C ATOM 617 CG GLU A 38 -8.093 -6.001 -0.806 1.00 0.00 C ATOM 618 CD GLU A 38 -9.076 -5.498 -1.840 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.258 -5.276 -1.489 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.678 -5.316 -3.009 1.00 0.00 O ATOM 0 H GLU A 38 -5.806 -4.783 0.352 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.540 -5.330 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.252 -5.518 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.190 -4.231 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.077 -5.848 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.226 -7.075 -0.675 1.00 0.00 H new ATOM 627 N LYS A 39 -6.122 -7.850 1.104 1.00 0.00 N ATOM 628 CA LYS A 39 -5.941 -9.292 1.237 1.00 0.00 C ATOM 629 C LYS A 39 -5.113 -9.619 2.479 1.00 0.00 C ATOM 630 O LYS A 39 -4.926 -10.788 2.823 1.00 0.00 O ATOM 631 CB LYS A 39 -5.302 -9.900 -0.016 1.00 0.00 C ATOM 632 CG LYS A 39 -3.886 -9.429 -0.293 1.00 0.00 C ATOM 633 CD LYS A 39 -3.230 -10.273 -1.371 1.00 0.00 C ATOM 634 CE LYS A 39 -1.799 -9.841 -1.638 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.106 -10.794 -2.542 1.00 0.00 N ATOM 0 H LYS A 39 -5.416 -7.376 0.541 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.929 -9.738 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.297 -10.985 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.925 -9.662 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.901 -8.384 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.297 -9.481 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.242 -11.320 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.809 -10.200 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.795 -8.846 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.256 -9.771 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.287 -11.205 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.762 -11.553 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.783 -10.292 -3.394 1.00 0.00 H new ATOM 649 N ILE A 40 -4.624 -8.584 3.151 1.00 0.00 N ATOM 650 CA ILE A 40 -3.929 -8.757 4.418 1.00 0.00 C ATOM 651 C ILE A 40 -4.926 -8.597 5.565 1.00 0.00 C ATOM 652 O ILE A 40 -5.866 -7.801 5.481 1.00 0.00 O ATOM 653 CB ILE A 40 -2.731 -7.768 4.569 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.418 -8.435 4.129 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.592 -7.253 5.996 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.393 -8.878 2.684 1.00 0.00 C ATOM 0 H ILE A 40 -4.697 -7.616 2.838 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.505 -9.761 4.445 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.939 -6.916 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.597 -7.738 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.235 -9.301 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.746 -6.568 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.503 -6.729 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.427 -8.093 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.430 -9.337 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.189 -9.602 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.542 -8.014 2.036 1.00 0.00 H new ATOM 668 N SER A 41 -4.748 -9.391 6.611 1.00 0.00 N ATOM 669 CA SER A 41 -5.626 -9.352 7.765 1.00 0.00 C ATOM 670 C SER A 41 -5.489 -8.029 8.521 1.00 0.00 C ATOM 671 O SER A 41 -4.387 -7.496 8.667 1.00 0.00 O ATOM 672 CB SER A 41 -5.299 -10.534 8.673 1.00 0.00 C ATOM 673 OG SER A 41 -3.975 -10.991 8.441 1.00 0.00 O ATOM 0 H SER A 41 -3.995 -10.075 6.681 1.00 0.00 H new ATOM 0 HA SER A 41 -6.661 -9.424 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.410 -10.240 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.006 -11.344 8.493 1.00 0.00 H new ATOM 0 HG SER A 41 -3.547 -11.203 9.297 1.00 0.00 H new ATOM 679 N PHE A 42 -6.614 -7.508 9.003 1.00 0.00 N ATOM 680 CA PHE A 42 -6.629 -6.232 9.709 1.00 0.00 C ATOM 681 C PHE A 42 -5.814 -6.310 10.994 1.00 0.00 C ATOM 682 O PHE A 42 -5.231 -5.321 11.429 1.00 0.00 O ATOM 683 CB PHE A 42 -8.064 -5.799 10.019 1.00 0.00 C ATOM 684 CG PHE A 42 -8.857 -5.419 8.799 1.00 0.00 C ATOM 685 CD1 PHE A 42 -8.762 -4.142 8.269 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.699 -6.333 8.186 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.490 -3.784 7.152 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.432 -5.980 7.069 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.327 -4.703 6.552 1.00 0.00 C ATOM 0 H PHE A 42 -7.528 -7.952 8.917 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.174 -5.486 9.057 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.576 -6.611 10.536 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.039 -4.951 10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.110 -3.418 8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.783 -7.333 8.586 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.405 -2.786 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.086 -6.701 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.899 -4.424 5.679 1.00 0.00 H new ATOM 699 N SER A 43 -5.750 -7.497 11.576 1.00 0.00 N ATOM 700 CA SER A 43 -4.989 -7.714 12.797 1.00 0.00 C ATOM 701 C SER A 43 -3.481 -7.659 12.536 1.00 0.00 C ATOM 702 O SER A 43 -2.681 -7.550 13.468 1.00 0.00 O ATOM 703 CB SER A 43 -5.381 -9.063 13.392 1.00 0.00 C ATOM 704 OG SER A 43 -5.569 -10.021 12.366 1.00 0.00 O ATOM 0 H SER A 43 -6.219 -8.330 11.220 1.00 0.00 H new ATOM 0 HA SER A 43 -5.222 -6.917 13.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.606 -9.404 14.078 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.297 -8.959 13.973 1.00 0.00 H new ATOM 0 HG SER A 43 -5.818 -10.881 12.763 1.00 0.00 H new ATOM 710 N ASP A 44 -3.097 -7.735 11.266 1.00 0.00 N ATOM 711 CA ASP A 44 -1.690 -7.685 10.885 1.00 0.00 C ATOM 712 C ASP A 44 -1.290 -6.265 10.514 1.00 0.00 C ATOM 713 O ASP A 44 -0.192 -5.814 10.846 1.00 0.00 O ATOM 714 CB ASP A 44 -1.409 -8.620 9.707 1.00 0.00 C ATOM 715 CG ASP A 44 -1.433 -10.085 10.095 1.00 0.00 C ATOM 716 OD1 ASP A 44 -2.503 -10.583 10.504 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.388 -10.753 9.965 1.00 0.00 O ATOM 0 H ASP A 44 -3.742 -7.832 10.482 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.101 -8.013 11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.149 -8.444 8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.435 -8.378 9.283 1.00 0.00 H new ATOM 722 N LEU A 45 -2.185 -5.568 9.827 1.00 0.00 N ATOM 723 CA LEU A 45 -1.924 -4.199 9.398 1.00 0.00 C ATOM 724 C LEU A 45 -2.012 -3.228 10.584 1.00 0.00 C ATOM 725 O LEU A 45 -2.651 -3.532 11.597 1.00 0.00 O ATOM 726 CB LEU A 45 -2.885 -3.803 8.263 1.00 0.00 C ATOM 727 CG LEU A 45 -4.379 -4.014 8.534 1.00 0.00 C ATOM 728 CD1 LEU A 45 -4.966 -2.846 9.314 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.132 -4.220 7.229 1.00 0.00 C ATOM 0 H LEU A 45 -3.100 -5.928 9.554 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.907 -4.141 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.725 -2.750 8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.615 -4.371 7.372 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.488 -4.911 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.027 -3.023 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.449 -2.750 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.843 -1.927 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.191 -4.368 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.008 -3.342 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.738 -5.097 6.716 1.00 0.00 H new ATOM 741 N PRO A 46 -1.350 -2.059 10.485 1.00 0.00 N ATOM 742 CA PRO A 46 -1.308 -1.068 11.569 1.00 0.00 C ATOM 743 C PRO A 46 -2.697 -0.580 11.993 1.00 0.00 C ATOM 744 O PRO A 46 -3.619 -0.508 11.177 1.00 0.00 O ATOM 745 CB PRO A 46 -0.485 0.086 10.983 1.00 0.00 C ATOM 746 CG PRO A 46 -0.478 -0.135 9.510 1.00 0.00 C ATOM 747 CD PRO A 46 -0.580 -1.617 9.313 1.00 0.00 C ATOM 0 HA PRO A 46 -0.879 -1.494 12.476 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.928 1.050 11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.529 0.088 11.384 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.313 0.380 9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.435 0.256 9.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.087 -1.865 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.403 -2.087 9.276 1.00 0.00 H new ATOM 755 N LEU A 47 -2.823 -0.225 13.270 1.00 0.00 N ATOM 756 CA LEU A 47 -4.112 0.130 13.864 1.00 0.00 C ATOM 757 C LEU A 47 -4.731 1.365 13.211 1.00 0.00 C ATOM 758 O LEU A 47 -5.956 1.488 13.150 1.00 0.00 O ATOM 759 CB LEU A 47 -3.961 0.365 15.371 1.00 0.00 C ATOM 760 CG LEU A 47 -5.258 0.694 16.120 1.00 0.00 C ATOM 761 CD1 LEU A 47 -6.239 -0.463 16.032 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.958 1.038 17.571 1.00 0.00 C ATOM 0 H LEU A 47 -2.039 -0.175 13.920 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.784 -0.710 13.689 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.520 -0.526 15.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.256 1.182 15.525 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.718 1.562 15.648 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.152 -0.208 16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.477 -0.660 14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.793 -1.353 16.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.888 1.269 18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.475 0.189 18.054 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.296 1.903 17.610 1.00 0.00 H new ATOM 774 N GLU A 48 -3.898 2.276 12.720 1.00 0.00 N ATOM 775 CA GLU A 48 -4.408 3.485 12.081 1.00 0.00 C ATOM 776 C GLU A 48 -5.274 3.146 10.873 1.00 0.00 C ATOM 777 O GLU A 48 -6.261 3.832 10.593 1.00 0.00 O ATOM 778 CB GLU A 48 -3.269 4.411 11.662 1.00 0.00 C ATOM 779 CG GLU A 48 -2.586 5.095 12.832 1.00 0.00 C ATOM 780 CD GLU A 48 -3.572 5.788 13.747 1.00 0.00 C ATOM 781 OE1 GLU A 48 -4.191 6.785 13.319 1.00 0.00 O ATOM 782 OE2 GLU A 48 -3.738 5.336 14.900 1.00 0.00 O ATOM 0 H GLU A 48 -2.881 2.204 12.751 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.024 4.004 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.529 3.836 11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.659 5.170 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.021 4.357 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.869 5.824 12.455 1.00 0.00 H new ATOM 789 N LEU A 49 -4.921 2.073 10.177 1.00 0.00 N ATOM 790 CA LEU A 49 -5.685 1.637 9.016 1.00 0.00 C ATOM 791 C LEU A 49 -7.033 1.080 9.458 1.00 0.00 C ATOM 792 O LEU A 49 -8.035 1.246 8.771 1.00 0.00 O ATOM 793 CB LEU A 49 -4.913 0.583 8.220 1.00 0.00 C ATOM 794 CG LEU A 49 -3.498 0.982 7.794 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.903 -0.085 6.895 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.500 2.329 7.089 1.00 0.00 C ATOM 0 H LEU A 49 -4.113 1.490 10.396 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.850 2.499 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.850 -0.325 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.486 0.336 7.326 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.884 1.072 8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.896 0.209 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.860 -1.032 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.524 -0.200 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.482 2.588 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.129 2.274 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.890 3.092 7.763 1.00 0.00 H new ATOM 808 N GLN A 50 -7.051 0.441 10.624 1.00 0.00 N ATOM 809 CA GLN A 50 -8.288 -0.092 11.185 1.00 0.00 C ATOM 810 C GLN A 50 -9.243 1.040 11.543 1.00 0.00 C ATOM 811 O GLN A 50 -10.459 0.862 11.561 1.00 0.00 O ATOM 812 CB GLN A 50 -8.011 -0.932 12.433 1.00 0.00 C ATOM 813 CG GLN A 50 -7.157 -2.163 12.184 1.00 0.00 C ATOM 814 CD GLN A 50 -7.024 -3.023 13.426 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.923 -3.064 14.264 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.911 -3.718 13.552 1.00 0.00 N ATOM 0 H GLN A 50 -6.224 0.280 11.198 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.745 -0.728 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.516 -0.306 13.175 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.962 -1.246 12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.597 -2.753 11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.167 -1.855 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.188 -3.657 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.773 -4.316 14.366 1.00 0.00 H new ATOM 825 N LYS A 51 -8.684 2.205 11.840 1.00 0.00 N ATOM 826 CA LYS A 51 -9.492 3.367 12.170 1.00 0.00 C ATOM 827 C LYS A 51 -10.024 4.026 10.904 1.00 0.00 C ATOM 828 O LYS A 51 -11.071 4.670 10.920 1.00 0.00 O ATOM 829 CB LYS A 51 -8.684 4.373 12.991 1.00 0.00 C ATOM 830 CG LYS A 51 -8.169 3.812 14.310 1.00 0.00 C ATOM 831 CD LYS A 51 -9.298 3.243 15.158 1.00 0.00 C ATOM 832 CE LYS A 51 -8.795 2.735 16.499 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.281 3.840 17.352 1.00 0.00 N ATOM 0 H LYS A 51 -7.677 2.369 11.859 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.338 3.032 12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.837 4.717 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.305 5.245 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.434 3.032 14.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.657 4.598 14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.054 4.012 15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.783 2.429 14.619 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.603 2.221 17.019 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.004 2.003 16.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.154 3.497 18.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.368 4.170 16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.961 4.627 17.348 1.00 0.00 H new ATOM 847 N LEU A 52 -9.294 3.861 9.809 1.00 0.00 N ATOM 848 CA LEU A 52 -9.724 4.384 8.521 1.00 0.00 C ATOM 849 C LEU A 52 -10.812 3.494 7.928 1.00 0.00 C ATOM 850 O LEU A 52 -10.618 2.291 7.748 1.00 0.00 O ATOM 851 CB LEU A 52 -8.533 4.488 7.567 1.00 0.00 C ATOM 852 CG LEU A 52 -7.389 5.375 8.060 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.201 5.289 7.122 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.849 6.817 8.197 1.00 0.00 C ATOM 0 H LEU A 52 -8.401 3.369 9.788 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.136 5.383 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.144 3.486 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.885 4.873 6.610 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.081 5.015 9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.399 5.928 7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.851 4.258 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.499 5.619 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.020 7.431 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.187 7.185 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.670 6.871 8.912 1.00 0.00 H new ATOM 866 N ASP A 53 -11.956 4.095 7.629 1.00 0.00 N ATOM 867 CA ASP A 53 -13.123 3.344 7.166 1.00 0.00 C ATOM 868 C ASP A 53 -12.921 2.791 5.757 1.00 0.00 C ATOM 869 O ASP A 53 -13.345 1.677 5.445 1.00 0.00 O ATOM 870 CB ASP A 53 -14.369 4.234 7.197 1.00 0.00 C ATOM 871 CG ASP A 53 -15.606 3.526 6.685 1.00 0.00 C ATOM 872 OD1 ASP A 53 -16.078 2.583 7.354 1.00 0.00 O ATOM 873 OD2 ASP A 53 -16.116 3.904 5.609 1.00 0.00 O ATOM 0 H ASP A 53 -12.104 5.102 7.698 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.257 2.499 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.545 4.571 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.189 5.124 6.595 1.00 0.00 H new ATOM 878 N SER A 54 -12.258 3.564 4.917 1.00 0.00 N ATOM 879 CA SER A 54 -12.089 3.201 3.520 1.00 0.00 C ATOM 880 C SER A 54 -10.707 2.607 3.267 1.00 0.00 C ATOM 881 O SER A 54 -9.708 3.104 3.790 1.00 0.00 O ATOM 882 CB SER A 54 -12.298 4.436 2.645 1.00 0.00 C ATOM 883 OG SER A 54 -13.564 5.026 2.895 1.00 0.00 O ATOM 0 H SER A 54 -11.826 4.450 5.178 1.00 0.00 H new ATOM 0 HA SER A 54 -12.830 2.442 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.509 5.162 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.223 4.158 1.594 1.00 0.00 H new ATOM 0 HG SER A 54 -13.675 5.816 2.325 1.00 0.00 H new ATOM 889 N LEU A 55 -10.661 1.544 2.469 1.00 0.00 N ATOM 890 CA LEU A 55 -9.398 0.923 2.080 1.00 0.00 C ATOM 891 C LEU A 55 -8.524 1.922 1.305 1.00 0.00 C ATOM 892 O LEU A 55 -7.337 2.046 1.601 1.00 0.00 O ATOM 893 CB LEU A 55 -9.639 -0.338 1.234 1.00 0.00 C ATOM 894 CG LEU A 55 -8.643 -1.492 1.447 1.00 0.00 C ATOM 895 CD1 LEU A 55 -7.205 -1.023 1.313 1.00 0.00 C ATOM 896 CD2 LEU A 55 -8.871 -2.147 2.803 1.00 0.00 C ATOM 0 H LEU A 55 -11.488 1.093 2.077 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.875 0.629 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.643 -0.707 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.618 -0.055 0.182 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.820 -2.232 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.531 -1.865 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.047 -0.613 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.003 -0.253 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.159 -2.961 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.732 -1.408 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.886 -2.541 2.851 1.00 0.00 H new ATOM 908 N PRO A 56 -9.077 2.645 0.295 1.00 0.00 N ATOM 909 CA PRO A 56 -8.330 3.694 -0.411 1.00 0.00 C ATOM 910 C PRO A 56 -7.680 4.681 0.558 1.00 0.00 C ATOM 911 O PRO A 56 -6.539 5.092 0.363 1.00 0.00 O ATOM 912 CB PRO A 56 -9.394 4.401 -1.266 1.00 0.00 C ATOM 913 CG PRO A 56 -10.710 3.865 -0.806 1.00 0.00 C ATOM 914 CD PRO A 56 -10.430 2.494 -0.269 1.00 0.00 C ATOM 0 HA PRO A 56 -7.512 3.281 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.345 5.482 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.240 4.201 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.145 4.504 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.424 3.824 -1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.155 2.199 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.461 1.737 -1.052 1.00 0.00 H new ATOM 922 N ALA A 57 -8.402 5.027 1.620 1.00 0.00 N ATOM 923 CA ALA A 57 -7.887 5.938 2.635 1.00 0.00 C ATOM 924 C ALA A 57 -6.708 5.309 3.366 1.00 0.00 C ATOM 925 O ALA A 57 -5.692 5.967 3.615 1.00 0.00 O ATOM 926 CB ALA A 57 -8.988 6.322 3.618 1.00 0.00 C ATOM 0 H ALA A 57 -9.347 4.689 1.799 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.539 6.845 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.585 7.002 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.800 6.813 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.367 5.425 4.108 1.00 0.00 H new ATOM 932 N GLN A 58 -6.844 4.030 3.696 1.00 0.00 N ATOM 933 CA GLN A 58 -5.771 3.282 4.342 1.00 0.00 C ATOM 934 C GLN A 58 -4.532 3.269 3.457 1.00 0.00 C ATOM 935 O GLN A 58 -3.450 3.696 3.867 1.00 0.00 O ATOM 936 CB GLN A 58 -6.201 1.837 4.617 1.00 0.00 C ATOM 937 CG GLN A 58 -7.410 1.700 5.522 1.00 0.00 C ATOM 938 CD GLN A 58 -7.763 0.250 5.785 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.896 -0.621 5.794 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.037 -0.017 6.001 1.00 0.00 N ATOM 0 H GLN A 58 -7.691 3.487 3.526 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.544 3.773 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.418 1.349 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.364 1.302 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.212 2.202 6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.263 2.203 5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.726 0.735 5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.333 -0.976 6.184 1.00 0.00 H new ATOM 949 N ALA A 59 -4.718 2.803 2.229 1.00 0.00 N ATOM 950 CA ALA A 59 -3.629 2.659 1.279 1.00 0.00 C ATOM 951 C ALA A 59 -2.991 4.010 0.950 1.00 0.00 C ATOM 952 O ALA A 59 -1.782 4.100 0.740 1.00 0.00 O ATOM 953 CB ALA A 59 -4.134 1.966 0.022 1.00 0.00 C ATOM 0 H ALA A 59 -5.627 2.515 1.866 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.852 2.043 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.315 1.859 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.521 0.980 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.929 2.561 -0.427 1.00 0.00 H new ATOM 959 N GLN A 60 -3.804 5.062 0.930 1.00 0.00 N ATOM 960 CA GLN A 60 -3.306 6.411 0.687 1.00 0.00 C ATOM 961 C GLN A 60 -2.373 6.851 1.812 1.00 0.00 C ATOM 962 O GLN A 60 -1.334 7.466 1.564 1.00 0.00 O ATOM 963 CB GLN A 60 -4.466 7.402 0.555 1.00 0.00 C ATOM 964 CG GLN A 60 -4.023 8.829 0.263 1.00 0.00 C ATOM 965 CD GLN A 60 -3.289 8.957 -1.058 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.899 9.206 -2.099 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.976 8.797 -1.026 1.00 0.00 N ATOM 0 H GLN A 60 -4.811 5.006 1.079 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.748 6.399 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.129 7.067 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.046 7.393 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.896 9.481 0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.376 9.176 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.509 8.592 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.431 8.879 -1.884 1.00 0.00 H new ATOM 976 N HIS A 61 -2.743 6.524 3.048 1.00 0.00 N ATOM 977 CA HIS A 61 -1.921 6.867 4.205 1.00 0.00 C ATOM 978 C HIS A 61 -0.623 6.071 4.197 1.00 0.00 C ATOM 979 O HIS A 61 0.402 6.536 4.697 1.00 0.00 O ATOM 980 CB HIS A 61 -2.684 6.628 5.511 1.00 0.00 C ATOM 981 CG HIS A 61 -3.626 7.741 5.875 1.00 0.00 C ATOM 982 ND1 HIS A 61 -4.862 7.915 5.290 1.00 0.00 N ATOM 983 CD2 HIS A 61 -3.504 8.739 6.783 1.00 0.00 C ATOM 984 CE1 HIS A 61 -5.454 8.969 5.821 1.00 0.00 C ATOM 985 NE2 HIS A 61 -4.653 9.485 6.730 1.00 0.00 N ATOM 0 H HIS A 61 -3.603 6.024 3.273 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.679 7.928 4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.249 5.700 5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.967 6.492 6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.258 7.322 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.657 8.915 7.430 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.431 9.345 5.555 1.00 0.00 H new ATOM 994 N LEU A 62 -0.672 4.872 3.625 1.00 0.00 N ATOM 995 CA LEU A 62 0.528 4.064 3.447 1.00 0.00 C ATOM 996 C LEU A 62 1.519 4.790 2.546 1.00 0.00 C ATOM 997 O LEU A 62 2.688 4.936 2.889 1.00 0.00 O ATOM 998 CB LEU A 62 0.184 2.700 2.837 1.00 0.00 C ATOM 999 CG LEU A 62 -0.653 1.774 3.722 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -1.034 0.514 2.960 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.113 1.412 4.985 1.00 0.00 C ATOM 0 H LEU A 62 -1.528 4.440 3.278 1.00 0.00 H new ATOM 0 HA LEU A 62 0.977 3.904 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.353 2.864 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.114 2.190 2.584 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.565 2.300 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.629 -0.134 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.616 0.784 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.130 -0.012 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.496 0.753 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.039 0.904 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.346 2.320 5.542 1.00 0.00 H new ATOM 1013 N ILE A 63 1.028 5.250 1.398 1.00 0.00 N ATOM 1014 CA ILE A 63 1.850 5.990 0.442 1.00 0.00 C ATOM 1015 C ILE A 63 2.397 7.268 1.074 1.00 0.00 C ATOM 1016 O ILE A 63 3.549 7.646 0.843 1.00 0.00 O ATOM 1017 CB ILE A 63 1.038 6.359 -0.822 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.452 5.101 -1.465 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.908 7.110 -1.823 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.543 5.392 -2.566 1.00 0.00 C ATOM 0 H ILE A 63 0.059 5.123 1.105 1.00 0.00 H new ATOM 0 HA ILE A 63 2.679 5.343 0.157 1.00 0.00 H new ATOM 0 HB ILE A 63 0.219 7.013 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.264 4.498 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.035 4.503 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.317 7.359 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.281 8.026 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.749 6.482 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.917 4.454 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.375 5.968 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.055 5.964 -3.355 1.00 0.00 H new ATOM 1032 N ASP A 64 1.562 7.916 1.881 1.00 0.00 N ATOM 1033 CA ASP A 64 1.928 9.168 2.539 1.00 0.00 C ATOM 1034 C ASP A 64 3.100 8.959 3.492 1.00 0.00 C ATOM 1035 O ASP A 64 4.034 9.761 3.535 1.00 0.00 O ATOM 1036 CB ASP A 64 0.726 9.738 3.299 1.00 0.00 C ATOM 1037 CG ASP A 64 1.099 10.898 4.201 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.388 11.997 3.684 1.00 0.00 O ATOM 1039 OD2 ASP A 64 1.087 10.720 5.435 1.00 0.00 O ATOM 0 H ASP A 64 0.619 7.592 2.097 1.00 0.00 H new ATOM 0 HA ASP A 64 2.233 9.880 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.028 10.067 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.273 8.948 3.898 1.00 0.00 H new ATOM 1044 N THR A 65 3.053 7.877 4.247 1.00 0.00 N ATOM 1045 CA THR A 65 4.122 7.557 5.176 1.00 0.00 C ATOM 1046 C THR A 65 5.098 6.558 4.553 1.00 0.00 C ATOM 1047 O THR A 65 6.131 6.956 4.006 1.00 0.00 O ATOM 1048 CB THR A 65 3.558 6.994 6.500 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.597 5.961 6.229 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.902 8.094 7.322 1.00 0.00 C ATOM 0 H THR A 65 2.286 7.205 4.235 1.00 0.00 H new ATOM 0 HA THR A 65 4.658 8.480 5.396 1.00 0.00 H new ATOM 0 HB THR A 65 4.388 6.578 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.808 6.353 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.513 7.673 8.249 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.639 8.863 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.084 8.535 6.752 1.00 0.00 H new ATOM 1058 N SER A 66 4.710 5.282 4.610 1.00 0.00 N ATOM 1059 CA SER A 66 5.479 4.140 4.107 1.00 0.00 C ATOM 1060 C SER A 66 5.136 2.925 4.964 1.00 0.00 C ATOM 1061 O SER A 66 4.487 3.064 6.003 1.00 0.00 O ATOM 1062 CB SER A 66 6.992 4.373 4.143 1.00 0.00 C ATOM 1063 OG SER A 66 7.649 3.582 3.168 1.00 0.00 O ATOM 0 H SER A 66 3.819 5.005 5.023 1.00 0.00 H new ATOM 0 HA SER A 66 5.210 3.988 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.206 5.427 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.378 4.131 5.133 1.00 0.00 H new ATOM 0 HG SER A 66 8.614 3.748 3.208 1.00 0.00 H new ATOM 1069 N CYS A 67 5.573 1.746 4.542 1.00 0.00 N ATOM 1070 CA CYS A 67 5.294 0.517 5.276 1.00 0.00 C ATOM 1071 C CYS A 67 6.043 -0.654 4.658 1.00 0.00 C ATOM 1072 O CYS A 67 6.277 -0.686 3.448 1.00 0.00 O ATOM 1073 CB CYS A 67 3.784 0.229 5.280 1.00 0.00 C ATOM 1074 SG CYS A 67 3.295 -1.232 6.231 1.00 0.00 S ATOM 0 H CYS A 67 6.123 1.614 3.693 1.00 0.00 H new ATOM 0 HA CYS A 67 5.632 0.647 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.263 1.098 5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.449 0.104 4.250 1.00 0.00 H new ATOM 0 HG CYS A 67 2.005 -1.379 6.168 1.00 0.00 H new ATOM 1080 N GLU A 68 6.446 -1.598 5.491 1.00 0.00 N ATOM 1081 CA GLU A 68 7.022 -2.839 5.006 1.00 0.00 C ATOM 1082 C GLU A 68 5.939 -3.908 4.989 1.00 0.00 C ATOM 1083 O GLU A 68 5.391 -4.264 6.034 1.00 0.00 O ATOM 1084 CB GLU A 68 8.204 -3.270 5.876 1.00 0.00 C ATOM 1085 CG GLU A 68 9.315 -2.236 5.938 1.00 0.00 C ATOM 1086 CD GLU A 68 10.533 -2.735 6.683 1.00 0.00 C ATOM 1087 OE1 GLU A 68 10.592 -2.575 7.920 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.446 -3.286 6.034 1.00 0.00 O ATOM 0 H GLU A 68 6.385 -1.528 6.507 1.00 0.00 H new ATOM 0 HA GLU A 68 7.403 -2.692 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.848 -3.471 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.609 -4.205 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.603 -1.956 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.941 -1.335 6.423 1.00 0.00 H new ATOM 1095 N LEU A 69 5.630 -4.406 3.804 1.00 0.00 N ATOM 1096 CA LEU A 69 4.483 -5.281 3.616 1.00 0.00 C ATOM 1097 C LEU A 69 4.888 -6.571 2.917 1.00 0.00 C ATOM 1098 O LEU A 69 5.627 -6.539 1.934 1.00 0.00 O ATOM 1099 CB LEU A 69 3.426 -4.547 2.779 1.00 0.00 C ATOM 1100 CG LEU A 69 2.155 -5.338 2.460 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.310 -5.527 3.707 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.356 -4.635 1.376 1.00 0.00 C ATOM 0 H LEU A 69 6.160 -4.219 2.953 1.00 0.00 H new ATOM 0 HA LEU A 69 4.075 -5.540 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.141 -3.637 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.885 -4.240 1.839 1.00 0.00 H new ATOM 0 HG LEU A 69 2.446 -6.323 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.412 -6.092 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.884 -6.072 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.026 -4.553 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.455 -5.208 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.078 -3.638 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.961 -4.554 0.473 1.00 0.00 H new ATOM 1114 N ASP A 70 4.422 -7.704 3.427 1.00 0.00 N ATOM 1115 CA ASP A 70 4.609 -8.969 2.733 1.00 0.00 C ATOM 1116 C ASP A 70 3.317 -9.342 2.015 1.00 0.00 C ATOM 1117 O ASP A 70 2.221 -9.202 2.560 1.00 0.00 O ATOM 1118 CB ASP A 70 5.062 -10.096 3.680 1.00 0.00 C ATOM 1119 CG ASP A 70 3.977 -10.595 4.613 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.841 -10.041 5.724 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.282 -11.571 4.250 1.00 0.00 O ATOM 0 H ASP A 70 3.917 -7.772 4.310 1.00 0.00 H new ATOM 0 HA ASP A 70 5.410 -8.843 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.426 -10.933 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.902 -9.739 4.276 1.00 0.00 H new ATOM 1126 N VAL A 71 3.450 -9.789 0.782 1.00 0.00 N ATOM 1127 CA VAL A 71 2.298 -10.052 -0.062 1.00 0.00 C ATOM 1128 C VAL A 71 2.012 -11.545 -0.154 1.00 0.00 C ATOM 1129 O VAL A 71 1.277 -11.995 -1.034 1.00 0.00 O ATOM 1130 CB VAL A 71 2.500 -9.473 -1.479 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.770 -7.979 -1.406 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.630 -10.183 -2.209 1.00 0.00 C ATOM 0 H VAL A 71 4.349 -9.979 0.339 1.00 0.00 H new ATOM 0 HA VAL A 71 1.442 -9.559 0.399 1.00 0.00 H new ATOM 0 HB VAL A 71 1.582 -9.637 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.910 -7.585 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.924 -7.479 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.670 -7.800 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.748 -9.753 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.557 -10.062 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.396 -11.244 -2.298 1.00 0.00 H new ATOM 1142 N GLY A 72 2.594 -12.304 0.762 1.00 0.00 N ATOM 1143 CA GLY A 72 2.361 -13.731 0.796 1.00 0.00 C ATOM 1144 C GLY A 72 3.501 -14.525 0.196 1.00 0.00 C ATOM 1145 O GLY A 72 4.153 -14.077 -0.757 1.00 0.00 O ATOM 0 H GLY A 72 3.225 -11.955 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.209 -14.045 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.442 -13.958 0.255 1.00 0.00 H new ATOM 1149 N ALA A 73 3.747 -15.697 0.774 1.00 0.00 N ATOM 1150 CA ALA A 73 4.759 -16.630 0.285 1.00 0.00 C ATOM 1151 C ALA A 73 6.164 -16.046 0.397 1.00 0.00 C ATOM 1152 O ALA A 73 7.057 -16.395 -0.377 1.00 0.00 O ATOM 1153 CB ALA A 73 4.453 -17.040 -1.149 1.00 0.00 C ATOM 0 H ALA A 73 3.248 -16.029 1.599 1.00 0.00 H new ATOM 0 HA ALA A 73 4.727 -17.519 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.216 -17.735 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.476 -17.522 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.447 -16.156 -1.787 1.00 0.00 H new ATOM 1159 N GLY A 74 6.354 -15.160 1.368 1.00 0.00 N ATOM 1160 CA GLY A 74 7.670 -14.615 1.630 1.00 0.00 C ATOM 1161 C GLY A 74 8.023 -13.455 0.726 1.00 0.00 C ATOM 1162 O GLY A 74 9.111 -12.892 0.826 1.00 0.00 O ATOM 0 H GLY A 74 5.617 -14.809 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.721 -14.287 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.414 -15.402 1.508 1.00 0.00 H new ATOM 1166 N LYS A 75 7.108 -13.097 -0.158 1.00 0.00 N ATOM 1167 CA LYS A 75 7.341 -11.995 -1.074 1.00 0.00 C ATOM 1168 C LYS A 75 7.008 -10.677 -0.395 1.00 0.00 C ATOM 1169 O LYS A 75 5.929 -10.523 0.173 1.00 0.00 O ATOM 1170 CB LYS A 75 6.502 -12.158 -2.343 1.00 0.00 C ATOM 1171 CG LYS A 75 6.816 -13.420 -3.128 1.00 0.00 C ATOM 1172 CD LYS A 75 6.082 -13.449 -4.463 1.00 0.00 C ATOM 1173 CE LYS A 75 4.570 -13.486 -4.290 1.00 0.00 C ATOM 1174 NZ LYS A 75 4.120 -14.689 -3.542 1.00 0.00 N ATOM 0 H LYS A 75 6.201 -13.551 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 75 8.394 -11.997 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.446 -12.164 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.661 -11.292 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.890 -13.483 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.536 -14.294 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.357 -12.570 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.402 -14.322 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.244 -12.589 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.093 -13.470 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.204 -15.009 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.823 -15.448 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.018 -14.453 -2.534 1.00 0.00 H new ATOM 1188 N TYR A 76 7.934 -9.735 -0.443 1.00 0.00 N ATOM 1189 CA TYR A 76 7.730 -8.438 0.180 1.00 0.00 C ATOM 1190 C TYR A 76 7.516 -7.355 -0.863 1.00 0.00 C ATOM 1191 O TYR A 76 8.064 -7.412 -1.966 1.00 0.00 O ATOM 1192 CB TYR A 76 8.912 -8.074 1.080 1.00 0.00 C ATOM 1193 CG TYR A 76 8.877 -8.761 2.423 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.301 -10.075 2.565 1.00 0.00 C ATOM 1195 CD2 TYR A 76 8.410 -8.096 3.550 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.261 -10.706 3.792 1.00 0.00 C ATOM 1197 CE2 TYR A 76 8.367 -8.723 4.779 1.00 0.00 C ATOM 1198 CZ TYR A 76 8.794 -10.025 4.896 1.00 0.00 C ATOM 1199 OH TYR A 76 8.751 -10.653 6.120 1.00 0.00 O ATOM 0 H TYR A 76 8.836 -9.844 -0.907 1.00 0.00 H new ATOM 0 HA TYR A 76 6.831 -8.506 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.840 -8.334 0.571 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.924 -6.995 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.668 -10.612 1.703 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.075 -7.073 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.594 -11.729 3.887 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.999 -8.193 5.645 1.00 0.00 H new ATOM 0 HH TYR A 76 8.398 -10.034 6.793 1.00 0.00 H new ATOM 1209 N LEU A 77 6.718 -6.370 -0.503 1.00 0.00 N ATOM 1210 CA LEU A 77 6.410 -5.269 -1.390 1.00 0.00 C ATOM 1211 C LEU A 77 6.896 -3.967 -0.781 1.00 0.00 C ATOM 1212 O LEU A 77 6.547 -3.635 0.351 1.00 0.00 O ATOM 1213 CB LEU A 77 4.903 -5.194 -1.634 1.00 0.00 C ATOM 1214 CG LEU A 77 4.462 -4.136 -2.642 1.00 0.00 C ATOM 1215 CD1 LEU A 77 5.022 -4.457 -4.018 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.944 -4.042 -2.684 1.00 0.00 C ATOM 0 H LEU A 77 6.267 -6.311 0.410 1.00 0.00 H new ATOM 0 HA LEU A 77 6.915 -5.432 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.558 -6.169 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.406 -4.998 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 77 4.853 -3.168 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.701 -3.695 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.111 -4.475 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.657 -5.432 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.646 -3.283 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.528 -5.006 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.569 -3.770 -1.697 1.00 0.00 H new ATOM 1228 N GLN A 78 7.709 -3.242 -1.526 1.00 0.00 N ATOM 1229 CA GLN A 78 8.215 -1.965 -1.069 1.00 0.00 C ATOM 1230 C GLN A 78 8.168 -0.960 -2.212 1.00 0.00 C ATOM 1231 O GLN A 78 8.624 -1.250 -3.320 1.00 0.00 O ATOM 1232 CB GLN A 78 9.651 -2.124 -0.550 1.00 0.00 C ATOM 1233 CG GLN A 78 10.209 -0.880 0.124 1.00 0.00 C ATOM 1234 CD GLN A 78 9.388 -0.439 1.323 1.00 0.00 C ATOM 1235 OE1 GLN A 78 9.317 0.747 1.630 1.00 0.00 O ATOM 1236 NE2 GLN A 78 8.777 -1.387 2.020 1.00 0.00 N ATOM 0 H GLN A 78 8.033 -3.518 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 78 7.593 -1.600 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.680 -2.952 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.299 -2.394 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.233 -1.074 0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.249 -0.067 -0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 78 8.859 -2.363 1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.225 -1.140 2.842 1.00 0.00 H new ATOM 1245 N TRP A 79 7.607 0.209 -1.949 1.00 0.00 N ATOM 1246 CA TRP A 79 7.517 1.249 -2.958 1.00 0.00 C ATOM 1247 C TRP A 79 8.486 2.372 -2.626 1.00 0.00 C ATOM 1248 O TRP A 79 8.529 2.865 -1.499 1.00 0.00 O ATOM 1249 CB TRP A 79 6.077 1.777 -3.087 1.00 0.00 C ATOM 1250 CG TRP A 79 5.520 2.401 -1.835 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.409 3.734 -1.565 1.00 0.00 C ATOM 1252 CD2 TRP A 79 4.987 1.720 -0.693 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.851 3.921 -0.326 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.583 2.703 0.228 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.820 0.374 -0.356 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.019 2.384 1.459 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.256 0.058 0.865 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.862 1.062 1.759 1.00 0.00 C ATOM 0 H TRP A 79 7.207 0.461 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 79 7.792 0.824 -3.923 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.046 2.515 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.428 0.954 -3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.716 4.527 -2.231 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.666 4.824 0.111 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.126 -0.405 -1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.716 3.155 2.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.117 -0.979 1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.424 0.784 2.706 1.00 0.00 H new ATOM 1269 N TYR A 80 9.287 2.744 -3.603 1.00 0.00 N ATOM 1270 CA TYR A 80 10.293 3.765 -3.407 1.00 0.00 C ATOM 1271 C TYR A 80 9.840 5.082 -4.001 1.00 0.00 C ATOM 1272 O TYR A 80 9.730 5.217 -5.222 1.00 0.00 O ATOM 1273 CB TYR A 80 11.617 3.347 -4.054 1.00 0.00 C ATOM 1274 CG TYR A 80 12.181 2.056 -3.518 1.00 0.00 C ATOM 1275 CD1 TYR A 80 13.018 2.048 -2.414 1.00 0.00 C ATOM 1276 CD2 TYR A 80 11.876 0.845 -4.120 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.537 0.867 -1.922 1.00 0.00 C ATOM 1278 CE2 TYR A 80 12.388 -0.342 -3.636 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.218 -0.327 -2.536 1.00 0.00 C ATOM 1280 OH TYR A 80 13.732 -1.510 -2.044 1.00 0.00 O ATOM 0 H TYR A 80 9.260 2.352 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 80 10.440 3.888 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.469 3.248 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.349 4.141 -3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.269 2.981 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.226 0.830 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.189 0.878 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 80 12.140 -1.277 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 80 13.410 -2.258 -2.589 1.00 0.00 H new ATOM 1290 N ALA A 81 9.550 6.045 -3.145 1.00 0.00 N ATOM 1291 CA ALA A 81 9.316 7.386 -3.619 1.00 0.00 C ATOM 1292 C ALA A 81 10.664 8.033 -3.868 1.00 0.00 C ATOM 1293 O ALA A 81 11.408 8.320 -2.928 1.00 0.00 O ATOM 1294 CB ALA A 81 8.505 8.188 -2.610 1.00 0.00 C ATOM 0 H ALA A 81 9.473 5.922 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 81 8.737 7.360 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.343 9.196 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.543 7.702 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.048 8.241 -1.666 1.00 0.00 H new ATOM 1300 N VAL A 82 10.979 8.258 -5.128 1.00 0.00 N ATOM 1301 CA VAL A 82 12.283 8.769 -5.500 1.00 0.00 C ATOM 1302 C VAL A 82 12.150 9.854 -6.553 1.00 0.00 C ATOM 1303 O VAL A 82 11.896 9.582 -7.727 1.00 0.00 O ATOM 1304 CB VAL A 82 13.221 7.637 -6.000 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.758 6.836 -4.825 1.00 0.00 C ATOM 1306 CG2 VAL A 82 12.500 6.703 -6.963 1.00 0.00 C ATOM 0 H VAL A 82 10.348 8.095 -5.913 1.00 0.00 H new ATOM 0 HA VAL A 82 12.734 9.201 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 82 14.050 8.107 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.414 6.046 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.319 7.494 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.927 6.392 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.185 5.922 -7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.647 6.248 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.151 7.269 -7.826 1.00 0.00 H new