USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 Set 1.1: A 61 HIS : no HD1:sc= -1.19 X(o=-1.5,f=-1.9) USER MOD Set 1.2: A 66 SER OG : rot -160:sc= -0.342 USER MOD Set 2.1: A 9 GLN : amide:sc= -0.846 K(o=0.35,f=1.1) USER MOD Set 2.2: A 25 THR OG1 : rot -82:sc= 1.19 USER MOD Single : A 11 ASN : amide:sc= -3.21! K(o=-3.2!,f=0.46) USER MOD Single : A 26 THR OG1 : rot -95:sc= 0.901 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0273) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= 0.191 (180deg=-0.167) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0.935 (180deg=0.139) USER MOD Single : A 41 SER OG : rot 133:sc= 1.32 USER MOD Single : A 43 SER OG : rot 180:sc= 0.053 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.292) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.889 K(o=-0.89,f=-4.5!) USER MOD Single : A 60 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.5) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -82:sc= 0.58 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.11) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 -0.061 13.122 -10.818 1.00 0.00 N ATOM 135 CA GLN A 9 0.302 11.769 -10.431 1.00 0.00 C ATOM 136 C GLN A 9 1.796 11.553 -10.615 1.00 0.00 C ATOM 137 O GLN A 9 2.291 11.492 -11.742 1.00 0.00 O ATOM 138 CB GLN A 9 -0.481 10.754 -11.266 1.00 0.00 C ATOM 139 CG GLN A 9 -1.986 10.876 -11.102 1.00 0.00 C ATOM 140 CD GLN A 9 -2.766 9.996 -12.063 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.877 10.336 -12.464 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.196 8.859 -12.439 1.00 0.00 N ATOM 0 HA GLN A 9 0.053 11.628 -9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.225 10.884 -12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.172 9.747 -10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.256 10.614 -10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.278 11.915 -11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.272 8.610 -12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.681 8.233 -13.082 1.00 0.00 H new ATOM 151 N ASP A 10 2.512 11.458 -9.508 1.00 0.00 N ATOM 152 CA ASP A 10 3.953 11.250 -9.551 1.00 0.00 C ATOM 153 C ASP A 10 4.257 9.760 -9.620 1.00 0.00 C ATOM 154 O ASP A 10 3.358 8.937 -9.473 1.00 0.00 O ATOM 155 CB ASP A 10 4.650 11.896 -8.344 1.00 0.00 C ATOM 156 CG ASP A 10 4.281 11.267 -7.014 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.076 11.226 -6.679 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.202 10.847 -6.283 1.00 0.00 O ATOM 0 H ASP A 10 2.121 11.521 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 10 4.344 11.733 -10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.729 11.828 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.399 12.956 -8.316 1.00 0.00 H new ATOM 163 N ASN A 11 5.518 9.413 -9.841 1.00 0.00 N ATOM 164 CA ASN A 11 5.876 8.019 -10.096 1.00 0.00 C ATOM 165 C ASN A 11 6.587 7.383 -8.902 1.00 0.00 C ATOM 166 O ASN A 11 7.396 8.020 -8.224 1.00 0.00 O ATOM 167 CB ASN A 11 6.727 7.883 -11.374 1.00 0.00 C ATOM 168 CG ASN A 11 8.165 8.382 -11.249 1.00 0.00 C ATOM 169 OD1 ASN A 11 9.061 7.869 -11.917 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.401 9.375 -10.405 1.00 0.00 N ATOM 0 H ASN A 11 6.302 10.065 -9.850 1.00 0.00 H new ATOM 0 HA ASN A 11 4.943 7.476 -10.249 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.747 6.834 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.237 8.431 -12.179 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.349 9.736 -10.294 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.635 9.779 -9.866 1.00 0.00 H new ATOM 177 N PHE A 12 6.251 6.130 -8.647 1.00 0.00 N ATOM 178 CA PHE A 12 6.843 5.370 -7.560 1.00 0.00 C ATOM 179 C PHE A 12 7.497 4.112 -8.112 1.00 0.00 C ATOM 180 O PHE A 12 6.932 3.439 -8.980 1.00 0.00 O ATOM 181 CB PHE A 12 5.776 4.980 -6.531 1.00 0.00 C ATOM 182 CG PHE A 12 5.055 6.147 -5.919 1.00 0.00 C ATOM 183 CD1 PHE A 12 3.971 6.726 -6.561 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.453 6.657 -4.696 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.302 7.791 -5.993 1.00 0.00 C ATOM 186 CE2 PHE A 12 4.789 7.723 -4.124 1.00 0.00 C ATOM 187 CZ PHE A 12 3.710 8.290 -4.773 1.00 0.00 C ATOM 0 H PHE A 12 5.560 5.611 -9.188 1.00 0.00 H new ATOM 0 HA PHE A 12 7.593 5.991 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.046 4.327 -7.010 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.248 4.402 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.647 6.339 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.294 6.215 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.459 8.234 -6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.113 8.113 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.186 9.122 -4.327 1.00 0.00 H new ATOM 197 N VAL A 13 8.686 3.802 -7.623 1.00 0.00 N ATOM 198 CA VAL A 13 9.373 2.587 -8.023 1.00 0.00 C ATOM 199 C VAL A 13 8.939 1.436 -7.124 1.00 0.00 C ATOM 200 O VAL A 13 9.297 1.392 -5.944 1.00 0.00 O ATOM 201 CB VAL A 13 10.909 2.740 -7.956 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.596 1.458 -8.405 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.372 3.917 -8.801 1.00 0.00 C ATOM 0 H VAL A 13 9.195 4.375 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 13 9.104 2.381 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 13 11.185 2.934 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.677 1.586 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.295 0.637 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.309 1.232 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.457 4.005 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.080 3.757 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.912 4.833 -8.432 1.00 0.00 H new ATOM 213 N VAL A 14 8.145 0.531 -7.680 1.00 0.00 N ATOM 214 CA VAL A 14 7.620 -0.595 -6.923 1.00 0.00 C ATOM 215 C VAL A 14 8.587 -1.769 -6.951 1.00 0.00 C ATOM 216 O VAL A 14 8.887 -2.329 -8.008 1.00 0.00 O ATOM 217 CB VAL A 14 6.242 -1.044 -7.454 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.734 -2.257 -6.691 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.242 0.095 -7.356 1.00 0.00 C ATOM 0 H VAL A 14 7.850 0.556 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 14 7.499 -0.258 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 14 6.357 -1.324 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.762 -2.553 -7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.438 -3.081 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.637 -2.008 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.275 -0.236 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.139 0.400 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.593 0.940 -7.949 1.00 0.00 H new ATOM 229 N LEU A 15 9.067 -2.136 -5.779 1.00 0.00 N ATOM 230 CA LEU A 15 10.016 -3.216 -5.646 1.00 0.00 C ATOM 231 C LEU A 15 9.362 -4.431 -5.010 1.00 0.00 C ATOM 232 O LEU A 15 9.135 -4.471 -3.799 1.00 0.00 O ATOM 233 CB LEU A 15 11.213 -2.770 -4.805 1.00 0.00 C ATOM 234 CG LEU A 15 12.002 -1.593 -5.371 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.101 -1.186 -4.404 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.588 -1.949 -6.732 1.00 0.00 C ATOM 0 H LEU A 15 8.809 -1.694 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 15 10.363 -3.489 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.858 -2.504 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.889 -3.617 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 15 11.325 -0.749 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.657 -0.345 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.658 -0.894 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.777 -2.026 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.147 -1.098 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.255 -2.805 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.781 -2.199 -7.421 1.00 0.00 H new ATOM 248 N GLU A 16 9.031 -5.401 -5.839 1.00 0.00 N ATOM 249 CA GLU A 16 8.578 -6.692 -5.361 1.00 0.00 C ATOM 250 C GLU A 16 9.797 -7.554 -5.059 1.00 0.00 C ATOM 251 O GLU A 16 10.841 -7.399 -5.698 1.00 0.00 O ATOM 252 CB GLU A 16 7.675 -7.350 -6.412 1.00 0.00 C ATOM 253 CG GLU A 16 7.434 -8.839 -6.205 1.00 0.00 C ATOM 254 CD GLU A 16 6.580 -9.153 -5.000 1.00 0.00 C ATOM 255 OE1 GLU A 16 7.121 -9.173 -3.877 1.00 0.00 O ATOM 256 OE2 GLU A 16 5.374 -9.414 -5.184 1.00 0.00 O ATOM 0 H GLU A 16 9.068 -5.318 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 16 7.993 -6.576 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.713 -6.838 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.119 -7.202 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.956 -9.248 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.395 -9.343 -6.100 1.00 0.00 H new ATOM 354 N PHE A 23 7.807 1.726 -12.888 1.00 0.00 N ATOM 355 CA PHE A 23 7.457 2.902 -12.114 1.00 0.00 C ATOM 356 C PHE A 23 6.064 3.386 -12.515 1.00 0.00 C ATOM 357 O PHE A 23 5.826 3.769 -13.661 1.00 0.00 O ATOM 358 CB PHE A 23 8.511 4.014 -12.276 1.00 0.00 C ATOM 359 CG PHE A 23 8.806 4.409 -13.703 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.678 3.659 -14.480 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.220 5.534 -14.260 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.955 4.023 -15.784 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.494 5.902 -15.565 1.00 0.00 C ATOM 364 CZ PHE A 23 9.362 5.145 -16.327 1.00 0.00 C ATOM 0 HA PHE A 23 7.441 2.635 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.173 4.896 -11.733 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.438 3.686 -11.806 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.146 2.781 -14.060 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.541 6.131 -13.668 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.635 3.430 -16.378 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.029 6.781 -15.988 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.577 5.430 -17.346 1.00 0.00 H new ATOM 374 N LEU A 24 5.142 3.335 -11.571 1.00 0.00 N ATOM 375 CA LEU A 24 3.760 3.707 -11.832 1.00 0.00 C ATOM 376 C LEU A 24 3.372 4.926 -11.010 1.00 0.00 C ATOM 377 O LEU A 24 4.087 5.313 -10.088 1.00 0.00 O ATOM 378 CB LEU A 24 2.804 2.536 -11.549 1.00 0.00 C ATOM 379 CG LEU A 24 3.092 1.719 -10.285 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.809 1.093 -9.768 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.113 0.629 -10.579 1.00 0.00 C ATOM 0 H LEU A 24 5.325 3.039 -10.612 1.00 0.00 H new ATOM 0 HA LEU A 24 3.674 3.959 -12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.790 2.930 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.825 1.862 -12.405 1.00 0.00 H new ATOM 0 HG LEU A 24 3.498 2.387 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.023 0.514 -8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.091 1.878 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.391 0.437 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.307 0.058 -9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.724 -0.036 -11.350 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.041 1.084 -10.927 1.00 0.00 H new ATOM 393 N THR A 25 2.241 5.526 -11.350 1.00 0.00 N ATOM 394 CA THR A 25 1.826 6.778 -10.738 1.00 0.00 C ATOM 395 C THR A 25 1.085 6.563 -9.422 1.00 0.00 C ATOM 396 O THR A 25 0.753 5.432 -9.056 1.00 0.00 O ATOM 397 CB THR A 25 0.936 7.592 -11.698 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.177 6.800 -12.127 1.00 0.00 O ATOM 399 CG2 THR A 25 1.733 8.062 -12.907 1.00 0.00 C ATOM 0 H THR A 25 1.593 5.164 -12.049 1.00 0.00 H new ATOM 0 HA THR A 25 2.739 7.334 -10.526 1.00 0.00 H new ATOM 0 HB THR A 25 0.569 8.468 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.100 6.221 -12.867 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.084 8.634 -13.570 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.559 8.691 -12.576 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.127 7.198 -13.442 1.00 0.00 H new ATOM 407 N THR A 26 0.834 7.668 -8.725 1.00 0.00 N ATOM 408 CA THR A 26 0.134 7.670 -7.447 1.00 0.00 C ATOM 409 C THR A 26 -1.158 6.852 -7.502 1.00 0.00 C ATOM 410 O THR A 26 -1.383 5.975 -6.670 1.00 0.00 O ATOM 411 CB THR A 26 -0.211 9.114 -7.050 1.00 0.00 C ATOM 412 OG1 THR A 26 0.785 10.008 -7.571 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.293 9.260 -5.538 1.00 0.00 C ATOM 0 H THR A 26 1.115 8.598 -9.037 1.00 0.00 H new ATOM 0 HA THR A 26 0.796 7.216 -6.710 1.00 0.00 H new ATOM 0 HB THR A 26 -1.185 9.363 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.462 10.179 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.538 10.291 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.066 8.597 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.667 8.996 -5.094 1.00 0.00 H new ATOM 421 N ILE A 27 -1.992 7.135 -8.498 1.00 0.00 N ATOM 422 CA ILE A 27 -3.291 6.478 -8.634 1.00 0.00 C ATOM 423 C ILE A 27 -3.132 4.979 -8.880 1.00 0.00 C ATOM 424 O ILE A 27 -3.865 4.167 -8.313 1.00 0.00 O ATOM 425 CB ILE A 27 -4.129 7.135 -9.769 1.00 0.00 C ATOM 426 CG1 ILE A 27 -5.002 8.266 -9.210 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.000 6.116 -10.497 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.236 9.346 -8.476 1.00 0.00 C ATOM 0 H ILE A 27 -1.791 7.819 -9.228 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.827 6.608 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.425 7.548 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.552 8.723 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.740 7.837 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.568 6.617 -11.281 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.367 5.348 -10.942 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.688 5.654 -9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.931 10.104 -8.115 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.708 8.906 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.517 9.806 -9.153 1.00 0.00 H new ATOM 440 N GLU A 28 -2.157 4.620 -9.701 1.00 0.00 N ATOM 441 CA GLU A 28 -1.917 3.223 -10.034 1.00 0.00 C ATOM 442 C GLU A 28 -1.391 2.464 -8.819 1.00 0.00 C ATOM 443 O GLU A 28 -1.824 1.344 -8.539 1.00 0.00 O ATOM 444 CB GLU A 28 -0.928 3.123 -11.194 1.00 0.00 C ATOM 445 CG GLU A 28 -1.406 3.832 -12.452 1.00 0.00 C ATOM 446 CD GLU A 28 -0.358 3.878 -13.544 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.657 4.587 -13.369 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.554 3.225 -14.590 1.00 0.00 O ATOM 0 H GLU A 28 -1.518 5.277 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.861 2.770 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.027 3.548 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.751 2.072 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.295 3.327 -12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.702 4.850 -12.198 1.00 0.00 H new ATOM 455 N LEU A 29 -0.465 3.085 -8.093 1.00 0.00 N ATOM 456 CA LEU A 29 0.095 2.488 -6.885 1.00 0.00 C ATOM 457 C LEU A 29 -0.980 2.324 -5.820 1.00 0.00 C ATOM 458 O LEU A 29 -1.005 1.327 -5.099 1.00 0.00 O ATOM 459 CB LEU A 29 1.236 3.346 -6.335 1.00 0.00 C ATOM 460 CG LEU A 29 1.856 2.837 -5.031 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.573 1.513 -5.256 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.806 3.871 -4.457 1.00 0.00 C ATOM 0 H LEU A 29 -0.086 4.004 -8.322 1.00 0.00 H new ATOM 0 HA LEU A 29 0.487 1.506 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.019 3.411 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.864 4.358 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 29 1.054 2.670 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.006 1.170 -4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.862 0.771 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.365 1.649 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.238 3.493 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.603 4.071 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.261 4.793 -4.254 1.00 0.00 H new ATOM 474 N LEU A 30 -1.866 3.308 -5.735 1.00 0.00 N ATOM 475 CA LEU A 30 -2.946 3.291 -4.762 1.00 0.00 C ATOM 476 C LEU A 30 -3.802 2.038 -4.935 1.00 0.00 C ATOM 477 O LEU A 30 -4.021 1.296 -3.980 1.00 0.00 O ATOM 478 CB LEU A 30 -3.814 4.545 -4.911 1.00 0.00 C ATOM 479 CG LEU A 30 -4.134 5.281 -3.608 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.946 6.535 -3.889 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.878 4.374 -2.642 1.00 0.00 C ATOM 0 H LEU A 30 -1.855 4.133 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.510 3.280 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.309 5.237 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.752 4.262 -5.388 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.192 5.573 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.164 7.045 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.377 7.199 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.880 6.261 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.094 4.920 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.812 4.046 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.262 3.505 -2.411 1.00 0.00 H new ATOM 493 N GLU A 31 -4.257 1.793 -6.159 1.00 0.00 N ATOM 494 CA GLU A 31 -5.095 0.632 -6.439 1.00 0.00 C ATOM 495 C GLU A 31 -4.306 -0.667 -6.273 1.00 0.00 C ATOM 496 O GLU A 31 -4.864 -1.697 -5.889 1.00 0.00 O ATOM 497 CB GLU A 31 -5.688 0.718 -7.848 1.00 0.00 C ATOM 498 CG GLU A 31 -6.529 1.966 -8.077 1.00 0.00 C ATOM 499 CD GLU A 31 -7.546 2.203 -6.975 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.493 1.399 -6.839 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.405 3.200 -6.244 1.00 0.00 O ATOM 0 H GLU A 31 -4.061 2.380 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.913 0.629 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.878 0.697 -8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.303 -0.163 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.872 2.832 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.048 1.878 -9.031 1.00 0.00 H new ATOM 508 N LYS A 32 -3.007 -0.611 -6.559 1.00 0.00 N ATOM 509 CA LYS A 32 -2.126 -1.756 -6.345 1.00 0.00 C ATOM 510 C LYS A 32 -2.072 -2.108 -4.861 1.00 0.00 C ATOM 511 O LYS A 32 -2.281 -3.260 -4.475 1.00 0.00 O ATOM 512 CB LYS A 32 -0.717 -1.452 -6.868 1.00 0.00 C ATOM 513 CG LYS A 32 0.313 -2.530 -6.541 1.00 0.00 C ATOM 514 CD LYS A 32 1.695 -2.164 -7.067 1.00 0.00 C ATOM 515 CE LYS A 32 1.745 -2.189 -8.587 1.00 0.00 C ATOM 516 NZ LYS A 32 1.713 -3.575 -9.126 1.00 0.00 N ATOM 0 H LYS A 32 -2.542 0.214 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.524 -2.609 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.762 -1.323 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.381 -0.504 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.360 -2.673 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.002 -3.479 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.968 -1.171 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.432 -2.860 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.901 -1.626 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.652 -1.689 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.868 -3.551 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.461 -4.140 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.787 -4.004 -8.925 1.00 0.00 H new ATOM 530 N LEU A 33 -1.809 -1.099 -4.034 1.00 0.00 N ATOM 531 CA LEU A 33 -1.757 -1.284 -2.590 1.00 0.00 C ATOM 532 C LEU A 33 -3.112 -1.716 -2.048 1.00 0.00 C ATOM 533 O LEU A 33 -3.184 -2.561 -1.169 1.00 0.00 O ATOM 534 CB LEU A 33 -1.298 0.002 -1.896 1.00 0.00 C ATOM 535 CG LEU A 33 0.170 0.372 -2.110 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.490 1.689 -1.422 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.077 -0.734 -1.587 1.00 0.00 C ATOM 0 H LEU A 33 -1.629 -0.144 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.034 -2.072 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.918 0.826 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.478 -0.098 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 33 0.346 0.488 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.539 1.939 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.139 2.478 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.300 1.597 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.119 -0.456 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.899 -0.877 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.864 -1.661 -2.118 1.00 0.00 H new ATOM 549 N LYS A 34 -4.182 -1.137 -2.585 1.00 0.00 N ATOM 550 CA LYS A 34 -5.537 -1.503 -2.176 1.00 0.00 C ATOM 551 C LYS A 34 -5.793 -2.994 -2.386 1.00 0.00 C ATOM 552 O LYS A 34 -6.346 -3.660 -1.515 1.00 0.00 O ATOM 553 CB LYS A 34 -6.569 -0.671 -2.942 1.00 0.00 C ATOM 554 CG LYS A 34 -6.684 0.757 -2.433 1.00 0.00 C ATOM 555 CD LYS A 34 -7.481 1.658 -3.369 1.00 0.00 C ATOM 556 CE LYS A 34 -8.946 1.249 -3.484 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.167 0.189 -4.505 1.00 0.00 N ATOM 0 H LYS A 34 -4.139 -0.414 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.636 -1.291 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.300 -0.653 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.543 -1.155 -2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.159 0.750 -1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.685 1.172 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.423 2.686 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.025 1.639 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.297 0.894 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.544 2.124 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.011 -0.365 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.306 0.629 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.338 -0.439 -4.539 1.00 0.00 H new ATOM 571 N GLY A 35 -5.365 -3.509 -3.533 1.00 0.00 N ATOM 572 CA GLY A 35 -5.549 -4.918 -3.832 1.00 0.00 C ATOM 573 C GLY A 35 -4.790 -5.819 -2.876 1.00 0.00 C ATOM 574 O GLY A 35 -5.335 -6.795 -2.348 1.00 0.00 O ATOM 0 H GLY A 35 -4.893 -2.975 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.611 -5.160 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.219 -5.116 -4.852 1.00 0.00 H new ATOM 578 N GLU A 36 -3.533 -5.488 -2.637 1.00 0.00 N ATOM 579 CA GLU A 36 -2.712 -6.261 -1.721 1.00 0.00 C ATOM 580 C GLU A 36 -3.208 -6.092 -0.288 1.00 0.00 C ATOM 581 O GLU A 36 -3.140 -7.014 0.514 1.00 0.00 O ATOM 582 CB GLU A 36 -1.245 -5.846 -1.832 1.00 0.00 C ATOM 583 CG GLU A 36 -0.638 -6.127 -3.197 1.00 0.00 C ATOM 584 CD GLU A 36 -0.740 -7.588 -3.587 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.069 -8.400 -3.097 1.00 0.00 O ATOM 586 OE2 GLU A 36 -1.638 -7.936 -4.383 1.00 0.00 O ATOM 0 H GLU A 36 -3.059 -4.691 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.792 -7.314 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.160 -4.781 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.668 -6.372 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.142 -5.518 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.410 -5.827 -3.194 1.00 0.00 H new ATOM 593 N LEU A 37 -3.734 -4.916 0.016 1.00 0.00 N ATOM 594 CA LEU A 37 -4.232 -4.623 1.353 1.00 0.00 C ATOM 595 C LEU A 37 -5.520 -5.390 1.631 1.00 0.00 C ATOM 596 O LEU A 37 -5.727 -5.886 2.735 1.00 0.00 O ATOM 597 CB LEU A 37 -4.459 -3.119 1.519 1.00 0.00 C ATOM 598 CG LEU A 37 -4.820 -2.661 2.932 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.742 -3.079 3.923 1.00 0.00 C ATOM 600 CD2 LEU A 37 -5.008 -1.154 2.957 1.00 0.00 C ATOM 0 H LEU A 37 -3.828 -4.146 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.482 -4.944 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.555 -2.596 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.256 -2.812 0.842 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.755 -3.138 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.017 -2.744 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.645 -4.165 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.791 -2.628 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.265 -0.836 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.083 -0.667 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.811 -0.876 2.274 1.00 0.00 H new ATOM 612 N GLU A 38 -6.382 -5.502 0.623 1.00 0.00 N ATOM 613 CA GLU A 38 -7.628 -6.245 0.774 1.00 0.00 C ATOM 614 C GLU A 38 -7.348 -7.748 0.771 1.00 0.00 C ATOM 615 O GLU A 38 -8.201 -8.550 1.149 1.00 0.00 O ATOM 616 CB GLU A 38 -8.637 -5.878 -0.327 1.00 0.00 C ATOM 617 CG GLU A 38 -8.186 -6.249 -1.729 1.00 0.00 C ATOM 618 CD GLU A 38 -9.195 -5.877 -2.793 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.129 -6.670 -3.039 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.058 -4.796 -3.401 1.00 0.00 O ATOM 0 H GLU A 38 -6.241 -5.091 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.072 -5.971 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.584 -6.376 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.826 -4.805 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.240 -5.752 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.999 -7.322 -1.773 1.00 0.00 H new ATOM 627 N LYS A 39 -6.150 -8.125 0.334 1.00 0.00 N ATOM 628 CA LYS A 39 -5.709 -9.514 0.416 1.00 0.00 C ATOM 629 C LYS A 39 -5.150 -9.813 1.817 1.00 0.00 C ATOM 630 O LYS A 39 -4.979 -10.973 2.199 1.00 0.00 O ATOM 631 CB LYS A 39 -4.669 -9.796 -0.684 1.00 0.00 C ATOM 632 CG LYS A 39 -3.255 -10.049 -0.180 1.00 0.00 C ATOM 633 CD LYS A 39 -2.230 -9.953 -1.305 1.00 0.00 C ATOM 634 CE LYS A 39 -2.572 -10.853 -2.483 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.669 -10.615 -3.642 1.00 0.00 N ATOM 0 H LYS A 39 -5.468 -7.489 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.559 -10.176 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.995 -10.663 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.648 -8.949 -1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.011 -9.325 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.203 -11.037 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.167 -8.920 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.246 -10.222 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.501 -11.896 -2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.605 -10.679 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.820 -11.355 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.876 -9.684 -4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.680 -10.639 -3.322 1.00 0.00 H new ATOM 649 N ILE A 40 -4.882 -8.756 2.579 1.00 0.00 N ATOM 650 CA ILE A 40 -4.381 -8.882 3.945 1.00 0.00 C ATOM 651 C ILE A 40 -5.542 -8.861 4.944 1.00 0.00 C ATOM 652 O ILE A 40 -6.518 -8.127 4.765 1.00 0.00 O ATOM 653 CB ILE A 40 -3.349 -7.759 4.272 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.913 -8.256 4.059 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.508 -7.229 5.689 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.578 -8.588 2.624 1.00 0.00 C ATOM 0 H ILE A 40 -5.005 -7.792 2.269 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.868 -9.840 4.031 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.549 -6.938 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.220 -7.493 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.753 -9.143 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.768 -6.449 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.509 -6.816 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.361 -8.042 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.545 -8.931 2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.244 -9.374 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.703 -7.699 2.006 1.00 0.00 H new ATOM 668 N SER A 41 -5.439 -9.689 5.975 1.00 0.00 N ATOM 669 CA SER A 41 -6.470 -9.797 6.997 1.00 0.00 C ATOM 670 C SER A 41 -6.482 -8.588 7.935 1.00 0.00 C ATOM 671 O SER A 41 -5.456 -7.942 8.156 1.00 0.00 O ATOM 672 CB SER A 41 -6.245 -11.083 7.788 1.00 0.00 C ATOM 673 OG SER A 41 -4.923 -11.562 7.596 1.00 0.00 O ATOM 0 H SER A 41 -4.639 -10.304 6.126 1.00 0.00 H new ATOM 0 HA SER A 41 -7.442 -9.822 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.421 -10.900 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.962 -11.841 7.472 1.00 0.00 H new ATOM 0 HG SER A 41 -4.528 -11.789 8.464 1.00 0.00 H new ATOM 679 N PHE A 42 -7.647 -8.305 8.506 1.00 0.00 N ATOM 680 CA PHE A 42 -7.824 -7.150 9.383 1.00 0.00 C ATOM 681 C PHE A 42 -7.049 -7.329 10.683 1.00 0.00 C ATOM 682 O PHE A 42 -6.666 -6.360 11.337 1.00 0.00 O ATOM 683 CB PHE A 42 -9.308 -6.935 9.694 1.00 0.00 C ATOM 684 CG PHE A 42 -10.162 -6.704 8.479 1.00 0.00 C ATOM 685 CD1 PHE A 42 -10.161 -5.475 7.840 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.969 -7.714 7.981 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.950 -5.258 6.726 1.00 0.00 C ATOM 688 CE2 PHE A 42 -11.760 -7.504 6.868 1.00 0.00 C ATOM 689 CZ PHE A 42 -11.749 -6.275 6.238 1.00 0.00 C ATOM 0 H PHE A 42 -8.490 -8.864 8.377 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.437 -6.274 8.863 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.686 -7.806 10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.408 -6.080 10.363 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.537 -4.678 8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.980 -8.677 8.469 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.942 -4.295 6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.386 -8.299 6.491 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.364 -6.109 5.366 1.00 0.00 H new ATOM 699 N SER A 43 -6.817 -8.579 11.046 1.00 0.00 N ATOM 700 CA SER A 43 -6.079 -8.906 12.253 1.00 0.00 C ATOM 701 C SER A 43 -4.574 -8.931 11.989 1.00 0.00 C ATOM 702 O SER A 43 -3.781 -9.207 12.887 1.00 0.00 O ATOM 703 CB SER A 43 -6.553 -10.259 12.776 1.00 0.00 C ATOM 704 OG SER A 43 -6.776 -11.159 11.700 1.00 0.00 O ATOM 0 H SER A 43 -7.133 -9.391 10.516 1.00 0.00 H new ATOM 0 HA SER A 43 -6.267 -8.138 13.003 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.809 -10.673 13.456 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.472 -10.132 13.348 1.00 0.00 H new ATOM 0 HG SER A 43 -7.078 -12.022 12.053 1.00 0.00 H new ATOM 710 N ASP A 44 -4.188 -8.644 10.753 1.00 0.00 N ATOM 711 CA ASP A 44 -2.781 -8.651 10.375 1.00 0.00 C ATOM 712 C ASP A 44 -2.301 -7.257 10.004 1.00 0.00 C ATOM 713 O ASP A 44 -1.102 -6.976 10.034 1.00 0.00 O ATOM 714 CB ASP A 44 -2.539 -9.608 9.207 1.00 0.00 C ATOM 715 CG ASP A 44 -2.526 -11.060 9.636 1.00 0.00 C ATOM 716 OD1 ASP A 44 -3.614 -11.634 9.847 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.427 -11.637 9.755 1.00 0.00 O ATOM 0 H ASP A 44 -4.828 -8.404 9.996 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.213 -8.993 11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.315 -9.462 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.588 -9.364 8.734 1.00 0.00 H new ATOM 722 N LEU A 45 -3.234 -6.382 9.652 1.00 0.00 N ATOM 723 CA LEU A 45 -2.883 -5.019 9.276 1.00 0.00 C ATOM 724 C LEU A 45 -2.708 -4.133 10.513 1.00 0.00 C ATOM 725 O LEU A 45 -3.355 -4.349 11.541 1.00 0.00 O ATOM 726 CB LEU A 45 -3.917 -4.438 8.293 1.00 0.00 C ATOM 727 CG LEU A 45 -5.392 -4.561 8.694 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.784 -3.484 9.694 1.00 0.00 C ATOM 729 CD2 LEU A 45 -6.279 -4.486 7.462 1.00 0.00 C ATOM 0 H LEU A 45 -4.232 -6.589 9.619 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.923 -5.043 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.691 -3.382 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.784 -4.929 7.329 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.531 -5.530 9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.835 -3.598 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.172 -3.580 10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.626 -2.501 9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.324 -4.575 7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.124 -3.531 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.026 -5.299 6.781 1.00 0.00 H new ATOM 741 N PRO A 46 -1.796 -3.146 10.425 1.00 0.00 N ATOM 742 CA PRO A 46 -1.482 -2.227 11.531 1.00 0.00 C ATOM 743 C PRO A 46 -2.711 -1.516 12.099 1.00 0.00 C ATOM 744 O PRO A 46 -3.715 -1.329 11.408 1.00 0.00 O ATOM 745 CB PRO A 46 -0.538 -1.208 10.890 1.00 0.00 C ATOM 746 CG PRO A 46 0.081 -1.930 9.747 1.00 0.00 C ATOM 747 CD PRO A 46 -0.977 -2.864 9.232 1.00 0.00 C ATOM 0 HA PRO A 46 -1.058 -2.765 12.379 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.080 -0.324 10.553 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.217 -0.868 11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.400 -1.234 8.971 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.967 -2.480 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.567 -2.404 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.543 -3.774 8.819 1.00 0.00 H new ATOM 755 N LEU A 47 -2.606 -1.107 13.358 1.00 0.00 N ATOM 756 CA LEU A 47 -3.700 -0.443 14.061 1.00 0.00 C ATOM 757 C LEU A 47 -4.077 0.869 13.374 1.00 0.00 C ATOM 758 O LEU A 47 -5.238 1.283 13.400 1.00 0.00 O ATOM 759 CB LEU A 47 -3.310 -0.183 15.520 1.00 0.00 C ATOM 760 CG LEU A 47 -4.413 0.409 16.400 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.602 -0.536 16.476 1.00 0.00 C ATOM 762 CD2 LEU A 47 -3.876 0.704 17.792 1.00 0.00 C ATOM 0 H LEU A 47 -1.763 -1.225 13.920 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.569 -1.101 14.037 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.981 -1.123 15.963 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.455 0.493 15.535 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.748 1.344 15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.376 -0.097 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.000 -0.701 15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.284 -1.488 16.902 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.671 1.125 18.407 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.516 -0.219 18.246 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.055 1.418 17.722 1.00 0.00 H new ATOM 774 N GLU A 48 -3.092 1.517 12.758 1.00 0.00 N ATOM 775 CA GLU A 48 -3.328 2.738 11.990 1.00 0.00 C ATOM 776 C GLU A 48 -4.402 2.509 10.928 1.00 0.00 C ATOM 777 O GLU A 48 -5.285 3.343 10.720 1.00 0.00 O ATOM 778 CB GLU A 48 -2.031 3.196 11.316 1.00 0.00 C ATOM 779 CG GLU A 48 -2.178 4.476 10.506 1.00 0.00 C ATOM 780 CD GLU A 48 -2.333 5.707 11.374 1.00 0.00 C ATOM 781 OE1 GLU A 48 -3.365 5.837 12.061 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.413 6.551 11.379 1.00 0.00 O ATOM 0 H GLU A 48 -2.118 1.216 12.776 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.672 3.511 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.269 3.347 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.673 2.402 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.305 4.597 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.045 4.388 9.851 1.00 0.00 H new ATOM 789 N LEU A 49 -4.341 1.353 10.280 1.00 0.00 N ATOM 790 CA LEU A 49 -5.261 1.038 9.198 1.00 0.00 C ATOM 791 C LEU A 49 -6.640 0.689 9.752 1.00 0.00 C ATOM 792 O LEU A 49 -7.630 0.689 9.027 1.00 0.00 O ATOM 793 CB LEU A 49 -4.713 -0.112 8.349 1.00 0.00 C ATOM 794 CG LEU A 49 -3.291 0.089 7.812 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.927 -1.028 6.847 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.149 1.447 7.139 1.00 0.00 C ATOM 0 H LEU A 49 -3.664 0.619 10.486 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.361 1.917 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.733 -1.024 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.384 -0.270 7.504 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.601 0.058 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.915 -0.871 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.979 -1.986 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.626 -1.028 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.131 1.564 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.850 1.516 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.364 2.235 7.861 1.00 0.00 H new ATOM 808 N GLN A 50 -6.696 0.400 11.043 1.00 0.00 N ATOM 809 CA GLN A 50 -7.962 0.143 11.713 1.00 0.00 C ATOM 810 C GLN A 50 -8.615 1.458 12.124 1.00 0.00 C ATOM 811 O GLN A 50 -9.823 1.527 12.358 1.00 0.00 O ATOM 812 CB GLN A 50 -7.755 -0.743 12.940 1.00 0.00 C ATOM 813 CG GLN A 50 -7.230 -2.132 12.613 1.00 0.00 C ATOM 814 CD GLN A 50 -7.024 -2.985 13.849 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.729 -2.832 14.849 1.00 0.00 O ATOM 816 NE2 GLN A 50 -6.058 -3.887 13.792 1.00 0.00 N ATOM 0 H GLN A 50 -5.878 0.337 11.649 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.618 -0.379 11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.057 -0.251 13.618 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.702 -0.839 13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.930 -2.632 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.285 -2.042 12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.498 -3.981 12.945 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.874 -4.488 14.595 1.00 0.00 H new ATOM 825 N LYS A 51 -7.801 2.500 12.226 1.00 0.00 N ATOM 826 CA LYS A 51 -8.296 3.837 12.527 1.00 0.00 C ATOM 827 C LYS A 51 -8.810 4.503 11.260 1.00 0.00 C ATOM 828 O LYS A 51 -9.676 5.378 11.305 1.00 0.00 O ATOM 829 CB LYS A 51 -7.192 4.686 13.155 1.00 0.00 C ATOM 830 CG LYS A 51 -6.668 4.124 14.463 1.00 0.00 C ATOM 831 CD LYS A 51 -5.512 4.947 14.994 1.00 0.00 C ATOM 832 CE LYS A 51 -4.982 4.376 16.296 1.00 0.00 C ATOM 833 NZ LYS A 51 -6.021 4.360 17.358 1.00 0.00 N ATOM 0 H LYS A 51 -6.790 2.445 12.104 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.117 3.751 13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.366 4.774 12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.572 5.693 13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.471 4.104 15.200 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.345 3.093 14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.712 4.975 14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.837 5.976 15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.620 3.362 16.127 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.130 4.967 16.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.572 4.192 18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.514 5.275 17.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.705 3.602 17.163 1.00 0.00 H new ATOM 847 N LEU A 52 -8.260 4.088 10.130 1.00 0.00 N ATOM 848 CA LEU A 52 -8.689 4.600 8.840 1.00 0.00 C ATOM 849 C LEU A 52 -9.861 3.785 8.305 1.00 0.00 C ATOM 850 O LEU A 52 -9.696 2.653 7.856 1.00 0.00 O ATOM 851 CB LEU A 52 -7.520 4.578 7.858 1.00 0.00 C ATOM 852 CG LEU A 52 -6.340 5.460 8.259 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.165 5.236 7.325 1.00 0.00 C ATOM 854 CD2 LEU A 52 -6.748 6.924 8.258 1.00 0.00 C ATOM 0 H LEU A 52 -7.513 3.395 10.081 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.023 5.630 8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.170 3.551 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.878 4.895 6.879 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.033 5.187 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.334 5.873 7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.857 4.191 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.459 5.482 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.896 7.539 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.080 7.208 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.561 7.076 8.968 1.00 0.00 H new ATOM 866 N ASP A 53 -11.043 4.381 8.344 1.00 0.00 N ATOM 867 CA ASP A 53 -12.276 3.686 7.985 1.00 0.00 C ATOM 868 C ASP A 53 -12.409 3.517 6.475 1.00 0.00 C ATOM 869 O ASP A 53 -13.326 2.850 5.998 1.00 0.00 O ATOM 870 CB ASP A 53 -13.484 4.449 8.528 1.00 0.00 C ATOM 871 CG ASP A 53 -13.625 5.829 7.919 1.00 0.00 C ATOM 872 OD1 ASP A 53 -12.759 6.691 8.185 1.00 0.00 O ATOM 873 OD2 ASP A 53 -14.608 6.066 7.189 1.00 0.00 O ATOM 0 H ASP A 53 -11.178 5.353 8.623 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.238 2.693 8.432 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.390 3.875 8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.394 4.541 9.610 1.00 0.00 H new ATOM 878 N SER A 54 -11.496 4.117 5.729 1.00 0.00 N ATOM 879 CA SER A 54 -11.519 4.025 4.280 1.00 0.00 C ATOM 880 C SER A 54 -10.317 3.232 3.773 1.00 0.00 C ATOM 881 O SER A 54 -9.172 3.568 4.079 1.00 0.00 O ATOM 882 CB SER A 54 -11.526 5.428 3.676 1.00 0.00 C ATOM 883 OG SER A 54 -12.569 6.211 4.235 1.00 0.00 O ATOM 0 H SER A 54 -10.728 4.674 6.105 1.00 0.00 H new ATOM 0 HA SER A 54 -12.424 3.501 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.566 5.911 3.856 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.653 5.363 2.595 1.00 0.00 H new ATOM 0 HG SER A 54 -12.556 7.106 3.837 1.00 0.00 H new ATOM 889 N LEU A 55 -10.588 2.180 3.007 1.00 0.00 N ATOM 890 CA LEU A 55 -9.538 1.329 2.445 1.00 0.00 C ATOM 891 C LEU A 55 -8.522 2.139 1.617 1.00 0.00 C ATOM 892 O LEU A 55 -7.314 1.987 1.809 1.00 0.00 O ATOM 893 CB LEU A 55 -10.160 0.214 1.595 1.00 0.00 C ATOM 894 CG LEU A 55 -9.186 -0.857 1.104 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.598 -1.628 2.276 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.882 -1.803 0.140 1.00 0.00 C ATOM 0 H LEU A 55 -11.534 1.892 2.758 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.993 0.882 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.943 -0.271 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.642 0.667 0.729 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.370 -0.363 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.908 -2.385 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.064 -0.941 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.401 -2.111 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.176 -2.560 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.717 -2.288 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.253 -1.241 -0.717 1.00 0.00 H new ATOM 908 N PRO A 56 -8.975 3.005 0.677 1.00 0.00 N ATOM 909 CA PRO A 56 -8.064 3.861 -0.094 1.00 0.00 C ATOM 910 C PRO A 56 -7.203 4.754 0.801 1.00 0.00 C ATOM 911 O PRO A 56 -6.025 4.970 0.520 1.00 0.00 O ATOM 912 CB PRO A 56 -8.994 4.711 -0.970 1.00 0.00 C ATOM 913 CG PRO A 56 -10.357 4.549 -0.386 1.00 0.00 C ATOM 914 CD PRO A 56 -10.376 3.196 0.257 1.00 0.00 C ATOM 0 HA PRO A 56 -7.354 3.268 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.688 5.757 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.970 4.376 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.563 5.331 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.123 4.624 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.059 3.163 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.697 2.423 -0.441 1.00 0.00 H new ATOM 922 N ALA A 57 -7.787 5.252 1.889 1.00 0.00 N ATOM 923 CA ALA A 57 -7.066 6.119 2.817 1.00 0.00 C ATOM 924 C ALA A 57 -5.949 5.352 3.518 1.00 0.00 C ATOM 925 O ALA A 57 -4.888 5.904 3.806 1.00 0.00 O ATOM 926 CB ALA A 57 -8.021 6.712 3.840 1.00 0.00 C ATOM 0 H ALA A 57 -8.756 5.070 2.149 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.618 6.931 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.468 7.356 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.785 7.298 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.497 5.908 4.402 1.00 0.00 H new ATOM 932 N GLN A 58 -6.199 4.076 3.786 1.00 0.00 N ATOM 933 CA GLN A 58 -5.197 3.205 4.391 1.00 0.00 C ATOM 934 C GLN A 58 -3.972 3.108 3.489 1.00 0.00 C ATOM 935 O GLN A 58 -2.837 3.335 3.926 1.00 0.00 O ATOM 936 CB GLN A 58 -5.777 1.810 4.629 1.00 0.00 C ATOM 937 CG GLN A 58 -6.924 1.780 5.626 1.00 0.00 C ATOM 938 CD GLN A 58 -7.513 0.394 5.794 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.822 -0.609 5.642 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.792 0.328 6.121 1.00 0.00 N ATOM 0 H GLN A 58 -7.091 3.619 3.593 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.901 3.632 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.124 1.405 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.983 1.153 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.570 2.140 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.705 2.465 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.333 1.185 6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.238 -0.579 6.256 1.00 0.00 H new ATOM 949 N ALA A 59 -4.216 2.792 2.223 1.00 0.00 N ATOM 950 CA ALA A 59 -3.150 2.677 1.239 1.00 0.00 C ATOM 951 C ALA A 59 -2.486 4.027 0.988 1.00 0.00 C ATOM 952 O ALA A 59 -1.283 4.100 0.735 1.00 0.00 O ATOM 953 CB ALA A 59 -3.692 2.101 -0.060 1.00 0.00 C ATOM 0 H ALA A 59 -5.149 2.610 1.853 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.394 2.000 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.884 2.020 -0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.112 1.113 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.469 2.757 -0.452 1.00 0.00 H new ATOM 959 N GLN A 60 -3.270 5.094 1.073 1.00 0.00 N ATOM 960 CA GLN A 60 -2.750 6.441 0.884 1.00 0.00 C ATOM 961 C GLN A 60 -1.772 6.778 2.008 1.00 0.00 C ATOM 962 O GLN A 60 -0.698 7.322 1.763 1.00 0.00 O ATOM 963 CB GLN A 60 -3.903 7.452 0.832 1.00 0.00 C ATOM 964 CG GLN A 60 -3.557 8.759 0.127 1.00 0.00 C ATOM 965 CD GLN A 60 -2.653 9.668 0.940 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.718 9.695 2.169 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.792 10.408 0.257 1.00 0.00 N ATOM 0 H GLN A 60 -4.270 5.052 1.272 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.216 6.493 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.752 6.993 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.222 7.675 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.071 8.532 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.479 9.292 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.770 10.356 -0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.151 11.030 0.750 1.00 0.00 H new ATOM 976 N HIS A 61 -2.145 6.422 3.236 1.00 0.00 N ATOM 977 CA HIS A 61 -1.279 6.621 4.397 1.00 0.00 C ATOM 978 C HIS A 61 0.067 5.938 4.172 1.00 0.00 C ATOM 979 O HIS A 61 1.116 6.450 4.572 1.00 0.00 O ATOM 980 CB HIS A 61 -1.940 6.057 5.658 1.00 0.00 C ATOM 981 CG HIS A 61 -1.155 6.280 6.923 1.00 0.00 C ATOM 982 ND1 HIS A 61 -0.098 5.484 7.313 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.291 7.216 7.892 1.00 0.00 C ATOM 984 CE1 HIS A 61 0.376 5.918 8.466 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.329 6.968 8.841 1.00 0.00 N ATOM 0 H HIS A 61 -3.044 5.993 3.453 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.119 7.691 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.925 6.510 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.095 4.986 5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.021 8.011 7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.202 5.486 9.011 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.184 7.507 9.695 1.00 0.00 H new ATOM 994 N LEU A 62 0.021 4.769 3.544 1.00 0.00 N ATOM 995 CA LEU A 62 1.230 4.054 3.170 1.00 0.00 C ATOM 996 C LEU A 62 2.062 4.900 2.210 1.00 0.00 C ATOM 997 O LEU A 62 3.207 5.253 2.508 1.00 0.00 O ATOM 998 CB LEU A 62 0.880 2.711 2.524 1.00 0.00 C ATOM 999 CG LEU A 62 0.124 1.728 3.421 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.293 0.500 2.630 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.978 1.322 4.610 1.00 0.00 C ATOM 0 H LEU A 62 -0.845 4.297 3.283 1.00 0.00 H new ATOM 0 HA LEU A 62 1.814 3.862 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.279 2.901 1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.803 2.236 2.190 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.772 2.225 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.829 -0.189 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.942 0.800 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.593 0.006 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.422 0.623 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.892 0.845 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.233 2.207 5.193 1.00 0.00 H new ATOM 1013 N ILE A 63 1.458 5.251 1.079 1.00 0.00 N ATOM 1014 CA ILE A 63 2.108 6.077 0.064 1.00 0.00 C ATOM 1015 C ILE A 63 2.726 7.334 0.682 1.00 0.00 C ATOM 1016 O ILE A 63 3.847 7.720 0.344 1.00 0.00 O ATOM 1017 CB ILE A 63 1.089 6.497 -1.020 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.522 5.267 -1.736 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.720 7.454 -2.018 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.593 5.595 -2.710 1.00 0.00 C ATOM 0 H ILE A 63 0.507 4.972 0.839 1.00 0.00 H new ATOM 0 HA ILE A 63 2.901 5.480 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 63 0.267 7.016 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.327 4.766 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.149 4.563 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.982 7.734 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.065 8.347 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.566 6.968 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.947 4.678 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.416 6.069 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.219 6.275 -3.476 1.00 0.00 H new ATOM 1032 N ASP A 64 1.994 7.941 1.607 1.00 0.00 N ATOM 1033 CA ASP A 64 2.402 9.193 2.226 1.00 0.00 C ATOM 1034 C ASP A 64 3.642 9.043 3.105 1.00 0.00 C ATOM 1035 O ASP A 64 4.664 9.683 2.849 1.00 0.00 O ATOM 1036 CB ASP A 64 1.247 9.764 3.051 1.00 0.00 C ATOM 1037 CG ASP A 64 1.617 11.044 3.778 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.885 12.062 3.102 1.00 0.00 O ATOM 1039 OD2 ASP A 64 1.614 11.047 5.026 1.00 0.00 O ATOM 0 H ASP A 64 1.103 7.580 1.948 1.00 0.00 H new ATOM 0 HA ASP A 64 2.663 9.878 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.399 9.957 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.924 9.019 3.778 1.00 0.00 H new ATOM 1044 N THR A 65 3.571 8.202 4.131 1.00 0.00 N ATOM 1045 CA THR A 65 4.619 8.203 5.143 1.00 0.00 C ATOM 1046 C THR A 65 5.127 6.802 5.523 1.00 0.00 C ATOM 1047 O THR A 65 6.253 6.668 6.012 1.00 0.00 O ATOM 1048 CB THR A 65 4.138 8.949 6.412 1.00 0.00 C ATOM 1049 OG1 THR A 65 5.177 8.997 7.400 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.902 8.284 7.004 1.00 0.00 C ATOM 0 H THR A 65 2.820 7.528 4.282 1.00 0.00 H new ATOM 0 HA THR A 65 5.465 8.723 4.693 1.00 0.00 H new ATOM 0 HB THR A 65 3.881 9.966 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.853 9.474 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.587 8.829 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.097 8.292 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.137 7.254 7.273 1.00 0.00 H new ATOM 1058 N SER A 66 4.342 5.754 5.295 1.00 0.00 N ATOM 1059 CA SER A 66 4.726 4.435 5.792 1.00 0.00 C ATOM 1060 C SER A 66 4.850 3.425 4.656 1.00 0.00 C ATOM 1061 O SER A 66 3.893 3.179 3.933 1.00 0.00 O ATOM 1062 CB SER A 66 3.683 3.949 6.799 1.00 0.00 C ATOM 1063 OG SER A 66 3.403 4.948 7.772 1.00 0.00 O ATOM 0 H SER A 66 3.460 5.787 4.784 1.00 0.00 H new ATOM 0 HA SER A 66 5.700 4.522 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.766 3.680 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.044 3.047 7.293 1.00 0.00 H new ATOM 0 HG SER A 66 2.999 4.531 8.562 1.00 0.00 H new ATOM 1069 N CYS A 67 6.004 2.791 4.530 1.00 0.00 N ATOM 1070 CA CYS A 67 6.215 1.869 3.429 1.00 0.00 C ATOM 1071 C CYS A 67 6.680 0.504 3.925 1.00 0.00 C ATOM 1072 O CYS A 67 7.844 0.320 4.290 1.00 0.00 O ATOM 1073 CB CYS A 67 7.231 2.457 2.449 1.00 0.00 C ATOM 1074 SG CYS A 67 6.759 4.084 1.812 1.00 0.00 S ATOM 0 H CYS A 67 6.796 2.895 5.165 1.00 0.00 H new ATOM 0 HA CYS A 67 5.263 1.725 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.199 2.536 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.357 1.770 1.612 1.00 0.00 H new ATOM 0 HG CYS A 67 5.924 3.939 0.826 1.00 0.00 H new ATOM 1080 N GLU A 68 5.740 -0.431 3.953 1.00 0.00 N ATOM 1081 CA GLU A 68 6.008 -1.829 4.253 1.00 0.00 C ATOM 1082 C GLU A 68 4.730 -2.627 4.048 1.00 0.00 C ATOM 1083 O GLU A 68 3.648 -2.169 4.416 1.00 0.00 O ATOM 1084 CB GLU A 68 6.535 -2.008 5.682 1.00 0.00 C ATOM 1085 CG GLU A 68 5.612 -1.466 6.761 1.00 0.00 C ATOM 1086 CD GLU A 68 6.233 -1.545 8.134 1.00 0.00 C ATOM 1087 OE1 GLU A 68 7.012 -0.634 8.486 1.00 0.00 O ATOM 1088 OE2 GLU A 68 5.950 -2.514 8.867 1.00 0.00 O ATOM 0 H GLU A 68 4.757 -0.236 3.765 1.00 0.00 H new ATOM 0 HA GLU A 68 6.784 -2.193 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.704 -3.069 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.502 -1.512 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.362 -0.429 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.678 -2.028 6.754 1.00 0.00 H new ATOM 1095 N LEU A 69 4.839 -3.800 3.448 1.00 0.00 N ATOM 1096 CA LEU A 69 3.667 -4.621 3.205 1.00 0.00 C ATOM 1097 C LEU A 69 4.057 -6.075 2.983 1.00 0.00 C ATOM 1098 O LEU A 69 4.692 -6.414 1.984 1.00 0.00 O ATOM 1099 CB LEU A 69 2.888 -4.083 1.995 1.00 0.00 C ATOM 1100 CG LEU A 69 1.539 -4.755 1.726 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.633 -4.650 2.946 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.869 -4.121 0.518 1.00 0.00 C ATOM 0 H LEU A 69 5.718 -4.202 3.123 1.00 0.00 H new ATOM 0 HA LEU A 69 3.027 -4.575 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.720 -3.016 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.511 -4.191 1.107 1.00 0.00 H new ATOM 0 HG LEU A 69 1.715 -5.810 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.320 -5.134 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.108 -5.141 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.462 -3.600 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.089 -4.607 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.707 -3.060 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.508 -4.241 -0.357 1.00 0.00 H new ATOM 1114 N ASP A 70 3.696 -6.919 3.938 1.00 0.00 N ATOM 1115 CA ASP A 70 3.889 -8.357 3.808 1.00 0.00 C ATOM 1116 C ASP A 70 2.791 -8.937 2.930 1.00 0.00 C ATOM 1117 O ASP A 70 1.643 -9.071 3.353 1.00 0.00 O ATOM 1118 CB ASP A 70 3.890 -9.031 5.185 1.00 0.00 C ATOM 1119 CG ASP A 70 3.782 -10.545 5.104 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.787 -11.208 4.769 1.00 0.00 O ATOM 1121 OD2 ASP A 70 2.694 -11.081 5.403 1.00 0.00 O ATOM 0 H ASP A 70 3.265 -6.631 4.817 1.00 0.00 H new ATOM 0 HA ASP A 70 4.857 -8.545 3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.806 -8.765 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.059 -8.644 5.774 1.00 0.00 H new ATOM 1126 N VAL A 71 3.143 -9.260 1.701 1.00 0.00 N ATOM 1127 CA VAL A 71 2.159 -9.708 0.733 1.00 0.00 C ATOM 1128 C VAL A 71 2.171 -11.224 0.585 1.00 0.00 C ATOM 1129 O VAL A 71 1.686 -11.764 -0.409 1.00 0.00 O ATOM 1130 CB VAL A 71 2.372 -9.033 -0.639 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.015 -7.557 -0.560 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.804 -9.203 -1.113 1.00 0.00 C ATOM 0 H VAL A 71 4.100 -9.221 1.349 1.00 0.00 H new ATOM 0 HA VAL A 71 1.181 -9.412 1.112 1.00 0.00 H new ATOM 0 HB VAL A 71 1.716 -9.518 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.170 -7.093 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.970 -7.450 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.649 -7.068 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.927 -8.718 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.483 -8.748 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.033 -10.265 -1.207 1.00 0.00 H new ATOM 1142 N GLY A 72 2.718 -11.910 1.582 1.00 0.00 N ATOM 1143 CA GLY A 72 2.636 -13.355 1.609 1.00 0.00 C ATOM 1144 C GLY A 72 3.980 -14.038 1.494 1.00 0.00 C ATOM 1145 O GLY A 72 4.847 -13.597 0.741 1.00 0.00 O ATOM 0 H GLY A 72 3.215 -11.492 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.157 -13.666 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.996 -13.690 0.793 1.00 0.00 H new ATOM 1149 N ALA A 73 4.147 -15.113 2.261 1.00 0.00 N ATOM 1150 CA ALA A 73 5.333 -15.967 2.195 1.00 0.00 C ATOM 1151 C ALA A 73 6.616 -15.224 2.568 1.00 0.00 C ATOM 1152 O ALA A 73 7.720 -15.697 2.284 1.00 0.00 O ATOM 1153 CB ALA A 73 5.457 -16.589 0.814 1.00 0.00 C ATOM 0 H ALA A 73 3.460 -15.419 2.950 1.00 0.00 H new ATOM 0 HA ALA A 73 5.201 -16.756 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.344 -17.222 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.573 -17.191 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.544 -15.801 0.066 1.00 0.00 H new ATOM 1159 N GLY A 74 6.471 -14.072 3.208 1.00 0.00 N ATOM 1160 CA GLY A 74 7.627 -13.336 3.684 1.00 0.00 C ATOM 1161 C GLY A 74 8.181 -12.366 2.661 1.00 0.00 C ATOM 1162 O GLY A 74 9.226 -11.753 2.888 1.00 0.00 O ATOM 0 H GLY A 74 5.572 -13.633 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.354 -12.787 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.408 -14.042 3.966 1.00 0.00 H new ATOM 1166 N LYS A 75 7.507 -12.221 1.532 1.00 0.00 N ATOM 1167 CA LYS A 75 7.944 -11.255 0.540 1.00 0.00 C ATOM 1168 C LYS A 75 7.251 -9.922 0.790 1.00 0.00 C ATOM 1169 O LYS A 75 6.088 -9.880 1.201 1.00 0.00 O ATOM 1170 CB LYS A 75 7.694 -11.744 -0.894 1.00 0.00 C ATOM 1171 CG LYS A 75 6.230 -11.824 -1.289 1.00 0.00 C ATOM 1172 CD LYS A 75 6.073 -12.021 -2.788 1.00 0.00 C ATOM 1173 CE LYS A 75 4.613 -11.989 -3.207 1.00 0.00 C ATOM 1174 NZ LYS A 75 4.458 -11.881 -4.681 1.00 0.00 N ATOM 0 H LYS A 75 6.671 -12.749 1.283 1.00 0.00 H new ATOM 0 HA LYS A 75 9.022 -11.128 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.207 -11.076 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.143 -12.731 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.753 -12.649 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.718 -10.911 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.621 -11.241 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.515 -12.974 -3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.115 -12.893 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.117 -11.145 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.461 -12.032 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.756 -10.935 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.048 -12.601 -5.146 1.00 0.00 H new ATOM 1188 N TYR A 76 7.966 -8.838 0.558 1.00 0.00 N ATOM 1189 CA TYR A 76 7.447 -7.516 0.853 1.00 0.00 C ATOM 1190 C TYR A 76 7.299 -6.695 -0.413 1.00 0.00 C ATOM 1191 O TYR A 76 8.205 -6.653 -1.249 1.00 0.00 O ATOM 1192 CB TYR A 76 8.360 -6.781 1.834 1.00 0.00 C ATOM 1193 CG TYR A 76 8.528 -7.489 3.153 1.00 0.00 C ATOM 1194 CD1 TYR A 76 7.486 -7.545 4.069 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.728 -8.104 3.481 1.00 0.00 C ATOM 1196 CE1 TYR A 76 7.637 -8.193 5.277 1.00 0.00 C ATOM 1197 CE2 TYR A 76 9.887 -8.754 4.689 1.00 0.00 C ATOM 1198 CZ TYR A 76 8.838 -8.797 5.581 1.00 0.00 C ATOM 1199 OH TYR A 76 8.989 -9.447 6.784 1.00 0.00 O ATOM 0 H TYR A 76 8.908 -8.846 0.166 1.00 0.00 H new ATOM 0 HA TYR A 76 6.464 -7.643 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.340 -6.649 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 76 7.956 -5.785 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.543 -7.074 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.550 -8.074 2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.819 -8.227 5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.828 -9.226 4.933 1.00 0.00 H new ATOM 0 HH TYR A 76 9.893 -9.820 6.843 1.00 0.00 H new ATOM 1209 N LEU A 77 6.154 -6.047 -0.543 1.00 0.00 N ATOM 1210 CA LEU A 77 5.927 -5.111 -1.625 1.00 0.00 C ATOM 1211 C LEU A 77 6.424 -3.743 -1.180 1.00 0.00 C ATOM 1212 O LEU A 77 5.878 -3.142 -0.254 1.00 0.00 O ATOM 1213 CB LEU A 77 4.438 -5.047 -1.979 1.00 0.00 C ATOM 1214 CG LEU A 77 4.099 -4.228 -3.224 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.682 -4.883 -4.467 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.594 -4.066 -3.357 1.00 0.00 C ATOM 0 H LEU A 77 5.364 -6.155 0.093 1.00 0.00 H new ATOM 0 HA LEU A 77 6.465 -5.435 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.071 -6.063 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.897 -4.629 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 77 4.543 -3.238 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.431 -4.287 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.766 -4.947 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.267 -5.885 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.368 -3.481 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.128 -5.048 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.204 -3.553 -2.478 1.00 0.00 H new ATOM 1228 N GLN A 78 7.479 -3.271 -1.815 1.00 0.00 N ATOM 1229 CA GLN A 78 8.132 -2.043 -1.397 1.00 0.00 C ATOM 1230 C GLN A 78 8.007 -0.983 -2.474 1.00 0.00 C ATOM 1231 O GLN A 78 7.791 -1.305 -3.640 1.00 0.00 O ATOM 1232 CB GLN A 78 9.602 -2.328 -1.106 1.00 0.00 C ATOM 1233 CG GLN A 78 9.800 -3.384 -0.033 1.00 0.00 C ATOM 1234 CD GLN A 78 11.057 -4.195 -0.247 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.130 -3.848 0.247 1.00 0.00 O ATOM 1236 NE2 GLN A 78 10.932 -5.285 -0.988 1.00 0.00 N ATOM 0 H GLN A 78 7.905 -3.720 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 78 7.649 -1.670 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.092 -2.654 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.091 -1.405 -0.794 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.844 -2.902 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.938 -4.051 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.023 -5.535 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.744 -5.875 -1.169 1.00 0.00 H new ATOM 1245 N TRP A 79 8.132 0.277 -2.088 1.00 0.00 N ATOM 1246 CA TRP A 79 8.052 1.370 -3.042 1.00 0.00 C ATOM 1247 C TRP A 79 8.688 2.630 -2.466 1.00 0.00 C ATOM 1248 O TRP A 79 8.678 2.841 -1.251 1.00 0.00 O ATOM 1249 CB TRP A 79 6.589 1.645 -3.429 1.00 0.00 C ATOM 1250 CG TRP A 79 5.756 2.217 -2.318 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.450 3.534 -2.125 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.123 1.500 -1.249 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.671 3.681 -1.006 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.458 2.449 -0.449 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.057 0.152 -0.885 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.735 2.092 0.685 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.338 -0.200 0.242 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.687 0.767 1.016 1.00 0.00 C ATOM 0 H TRP A 79 8.289 0.567 -1.123 1.00 0.00 H new ATOM 0 HA TRP A 79 8.600 1.080 -3.938 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.572 2.334 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.133 0.715 -3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.775 4.343 -2.762 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.309 4.565 -0.647 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.559 -0.601 -1.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.229 2.836 1.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.278 -1.239 0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.136 0.460 1.892 1.00 0.00 H new ATOM 1269 N TYR A 80 9.276 3.433 -3.336 1.00 0.00 N ATOM 1270 CA TYR A 80 9.750 4.755 -2.956 1.00 0.00 C ATOM 1271 C TYR A 80 9.476 5.748 -4.078 1.00 0.00 C ATOM 1272 O TYR A 80 9.485 5.387 -5.260 1.00 0.00 O ATOM 1273 CB TYR A 80 11.240 4.745 -2.573 1.00 0.00 C ATOM 1274 CG TYR A 80 12.175 4.145 -3.602 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.556 4.863 -4.728 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.697 2.868 -3.433 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.423 4.324 -5.657 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.571 2.327 -4.356 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.930 3.059 -5.467 1.00 0.00 C ATOM 1280 OH TYR A 80 14.803 2.527 -6.389 1.00 0.00 O ATOM 0 H TYR A 80 9.438 3.193 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 80 9.201 5.067 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.554 5.770 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.353 4.193 -1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.168 5.859 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.415 2.289 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.703 4.894 -6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.971 1.335 -4.208 1.00 0.00 H new ATOM 0 HH TYR A 80 15.068 1.627 -6.107 1.00 0.00 H new ATOM 1290 N ALA A 81 9.213 6.990 -3.701 1.00 0.00 N ATOM 1291 CA ALA A 81 8.878 8.025 -4.664 1.00 0.00 C ATOM 1292 C ALA A 81 10.131 8.692 -5.207 1.00 0.00 C ATOM 1293 O ALA A 81 10.857 9.360 -4.469 1.00 0.00 O ATOM 1294 CB ALA A 81 7.972 9.067 -4.026 1.00 0.00 C ATOM 0 H ALA A 81 9.226 7.305 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 81 8.352 7.554 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.729 9.836 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.054 8.590 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.483 9.523 -3.178 1.00 0.00 H new ATOM 1300 N VAL A 82 10.388 8.509 -6.492 1.00 0.00 N ATOM 1301 CA VAL A 82 11.499 9.188 -7.131 1.00 0.00 C ATOM 1302 C VAL A 82 11.019 10.489 -7.760 1.00 0.00 C ATOM 1303 O VAL A 82 10.394 10.498 -8.821 1.00 0.00 O ATOM 1304 CB VAL A 82 12.194 8.308 -8.194 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.104 7.292 -7.529 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.174 7.598 -9.072 1.00 0.00 C ATOM 0 H VAL A 82 9.847 7.901 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 82 12.238 9.402 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 82 12.794 8.961 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.586 6.680 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.865 7.811 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.516 6.653 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.693 6.986 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.542 6.961 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.556 8.337 -9.582 1.00 0.00 H new