USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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 600 THR OG1 : rot -59:sc= -1.36! USER MOD Set 1.2: A 605 GLN : amide:sc= -1.57! X(o=-2.9!,f=-3) USER MOD Set 2.1: A 576 HIS : no HD1:sc=-0.00112 X(o=-0.0011,f=-0.014) USER MOD Set 2.2: A 577 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 561 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 562 GLN : amide:sc= -0.0599 K(o=1.2,f=-6) USER MOD Single : A 521 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 530 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.5) USER MOD Single : A 531 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.5) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.285) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 550 THR OG1 : rot 104:sc= 0.945 USER MOD Single : A 552 TYR OH : rot 180:sc= -0.0124 USER MOD Single : A 553 TYR OH : rot 54:sc= 2.34 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.179 USER MOD Single : A 558 LYS NZ :NH3+ 155:sc= -0.0993 (180deg=-0.605) USER MOD Single : A 560 MET CE :methyl 155:sc= -0.624 (180deg=-1.6!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 165:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 582 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-9.8!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 145:sc= -0.0481 (180deg=-0.352) USER MOD Single : A 608 GLN : amide:sc= 0.0106 X(o=0.011,f=-0.18) USER MOD Single : A 610 SER OG : rot 180:sc= -0.425 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -6.793 10.088 1.576 1.00 0.00 N ATOM 95 CA ALA A 520 -7.010 9.143 2.650 1.00 0.00 C ATOM 96 C ALA A 520 -6.193 9.505 3.880 1.00 0.00 C ATOM 97 O ALA A 520 -5.117 10.102 3.774 1.00 0.00 O ATOM 98 CB ALA A 520 -6.671 7.738 2.187 1.00 0.00 C ATOM 0 HA ALA A 520 -8.064 9.183 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -6.838 7.036 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.306 7.470 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.625 7.698 1.882 1.00 0.00 H new ATOM 104 N THR A 521 -6.718 9.153 5.041 1.00 0.00 N ATOM 105 CA THR A 521 -6.000 9.286 6.295 1.00 0.00 C ATOM 106 C THR A 521 -5.485 7.932 6.757 1.00 0.00 C ATOM 107 O THR A 521 -6.134 6.916 6.525 1.00 0.00 O ATOM 108 CB THR A 521 -6.905 9.889 7.381 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.275 9.581 7.099 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.719 11.394 7.471 1.00 0.00 C ATOM 0 H THR A 521 -7.657 8.766 5.140 1.00 0.00 H new ATOM 0 HA THR A 521 -5.155 9.955 6.129 1.00 0.00 H new ATOM 0 HB THR A 521 -6.626 9.453 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 521 -8.847 9.966 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.371 11.795 8.247 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.681 11.618 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 521 -6.971 11.850 6.514 1.00 0.00 H new ATOM 118 N PRO A 522 -4.315 7.896 7.415 1.00 0.00 N ATOM 119 CA PRO A 522 -3.701 6.644 7.862 1.00 0.00 C ATOM 120 C PRO A 522 -4.657 5.802 8.698 1.00 0.00 C ATOM 121 O PRO A 522 -4.737 4.586 8.528 1.00 0.00 O ATOM 122 CB PRO A 522 -2.499 7.093 8.709 1.00 0.00 C ATOM 123 CG PRO A 522 -2.670 8.562 8.917 1.00 0.00 C ATOM 124 CD PRO A 522 -3.493 9.061 7.765 1.00 0.00 C ATOM 0 HA PRO A 522 -3.420 6.013 7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.473 6.564 9.662 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.560 6.877 8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.167 8.764 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -1.703 9.065 8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.106 9.917 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -2.868 9.379 6.931 1.00 0.00 H new ATOM 132 N GLU A 523 -5.366 6.461 9.607 1.00 0.00 N ATOM 133 CA GLU A 523 -6.354 5.792 10.446 1.00 0.00 C ATOM 134 C GLU A 523 -7.370 5.034 9.577 1.00 0.00 C ATOM 135 O GLU A 523 -7.727 3.897 9.875 1.00 0.00 O ATOM 136 CB GLU A 523 -7.065 6.809 11.348 1.00 0.00 C ATOM 137 CG GLU A 523 -7.747 7.939 10.591 1.00 0.00 C ATOM 138 CD GLU A 523 -8.340 8.985 11.508 1.00 0.00 C ATOM 139 OE1 GLU A 523 -9.459 8.771 12.017 1.00 0.00 O ATOM 140 OE2 GLU A 523 -7.694 10.034 11.716 1.00 0.00 O ATOM 0 H GLU A 523 -5.275 7.462 9.782 1.00 0.00 H new ATOM 0 HA GLU A 523 -5.840 5.070 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -7.810 6.287 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.339 7.236 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.025 8.413 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.535 7.525 9.962 1.00 0.00 H new ATOM 147 N GLU A 524 -7.822 5.671 8.501 1.00 0.00 N ATOM 148 CA GLU A 524 -8.743 5.052 7.561 1.00 0.00 C ATOM 149 C GLU A 524 -8.055 3.977 6.720 1.00 0.00 C ATOM 150 O GLU A 524 -8.672 2.989 6.347 1.00 0.00 O ATOM 151 CB GLU A 524 -9.354 6.114 6.654 1.00 0.00 C ATOM 152 CG GLU A 524 -10.205 7.128 7.400 1.00 0.00 C ATOM 153 CD GLU A 524 -11.432 6.517 8.047 1.00 0.00 C ATOM 154 OE1 GLU A 524 -11.337 6.067 9.208 1.00 0.00 O ATOM 155 OE2 GLU A 524 -12.506 6.512 7.408 1.00 0.00 O ATOM 0 H GLU A 524 -7.560 6.627 8.259 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.532 4.568 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.554 6.637 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -9.966 5.625 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.598 7.607 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.518 7.909 6.708 1.00 0.00 H new ATOM 162 N VAL A 525 -6.777 4.178 6.420 1.00 0.00 N ATOM 163 CA VAL A 525 -6.024 3.230 5.599 1.00 0.00 C ATOM 164 C VAL A 525 -5.740 1.938 6.370 1.00 0.00 C ATOM 165 O VAL A 525 -5.655 0.856 5.785 1.00 0.00 O ATOM 166 CB VAL A 525 -4.694 3.840 5.100 1.00 0.00 C ATOM 167 CG1 VAL A 525 -3.912 2.840 4.260 1.00 0.00 C ATOM 168 CG2 VAL A 525 -4.946 5.108 4.298 1.00 0.00 C ATOM 0 H VAL A 525 -6.239 4.987 6.731 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.644 2.998 4.733 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.099 4.093 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -2.982 3.297 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -3.687 1.958 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.507 2.548 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -3.995 5.518 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.570 4.875 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.454 5.841 4.925 1.00 0.00 H new ATOM 178 N ARG A 526 -5.578 2.051 7.684 1.00 0.00 N ATOM 179 CA ARG A 526 -5.403 0.871 8.528 1.00 0.00 C ATOM 180 C ARG A 526 -6.738 0.213 8.842 1.00 0.00 C ATOM 181 O ARG A 526 -6.772 -0.921 9.308 1.00 0.00 O ATOM 182 CB ARG A 526 -4.666 1.201 9.832 1.00 0.00 C ATOM 183 CG ARG A 526 -5.335 2.260 10.686 1.00 0.00 C ATOM 184 CD ARG A 526 -4.490 2.607 11.902 1.00 0.00 C ATOM 185 NE ARG A 526 -4.232 1.442 12.748 1.00 0.00 N ATOM 186 CZ ARG A 526 -3.709 1.511 13.971 1.00 0.00 C ATOM 187 NH1 ARG A 526 -3.329 2.680 14.471 1.00 0.00 N ATOM 188 NH2 ARG A 526 -3.547 0.407 14.687 1.00 0.00 N ATOM 0 H ARG A 526 -5.564 2.939 8.186 1.00 0.00 H new ATOM 0 HA ARG A 526 -4.790 0.171 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -4.568 0.288 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -3.657 1.533 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.504 3.157 10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.313 1.904 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -3.542 3.032 11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -4.997 3.374 12.488 1.00 0.00 H new ATOM 0 HE ARG A 526 -4.467 0.521 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.437 3.530 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -2.929 2.728 15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -3.823 -0.496 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -3.146 0.461 15.623 1.00 0.00 H new ATOM 202 N LEU A 527 -7.834 0.931 8.607 1.00 0.00 N ATOM 203 CA LEU A 527 -9.180 0.404 8.833 1.00 0.00 C ATOM 204 C LEU A 527 -9.366 -0.971 8.159 1.00 0.00 C ATOM 205 O LEU A 527 -9.833 -1.910 8.801 1.00 0.00 O ATOM 206 CB LEU A 527 -10.222 1.415 8.323 1.00 0.00 C ATOM 207 CG LEU A 527 -11.390 1.725 9.265 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.245 0.493 9.482 1.00 0.00 C ATOM 209 CD2 LEU A 527 -10.883 2.273 10.590 1.00 0.00 C ATOM 0 H LEU A 527 -7.816 1.889 8.257 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.322 0.258 9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -9.709 2.350 8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -10.630 1.040 7.384 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.011 2.490 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.068 0.735 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -12.644 0.154 8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -11.638 -0.298 9.922 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -11.729 2.486 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.235 1.536 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.321 3.190 10.413 1.00 0.00 H new ATOM 221 N PRO A 528 -8.998 -1.123 6.864 1.00 0.00 N ATOM 222 CA PRO A 528 -9.042 -2.423 6.181 1.00 0.00 C ATOM 223 C PRO A 528 -8.221 -3.487 6.902 1.00 0.00 C ATOM 224 O PRO A 528 -8.633 -4.647 6.990 1.00 0.00 O ATOM 225 CB PRO A 528 -8.437 -2.130 4.804 1.00 0.00 C ATOM 226 CG PRO A 528 -8.639 -0.672 4.600 1.00 0.00 C ATOM 227 CD PRO A 528 -8.548 -0.051 5.957 1.00 0.00 C ATOM 0 HA PRO A 528 -10.056 -2.821 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -7.379 -2.390 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -8.930 -2.710 4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -7.881 -0.263 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -9.608 -0.472 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.530 0.265 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.181 0.832 6.036 1.00 0.00 H new ATOM 235 N LEU A 529 -7.079 -3.077 7.445 1.00 0.00 N ATOM 236 CA LEU A 529 -6.177 -3.991 8.139 1.00 0.00 C ATOM 237 C LEU A 529 -6.851 -4.557 9.382 1.00 0.00 C ATOM 238 O LEU A 529 -6.563 -5.674 9.808 1.00 0.00 O ATOM 239 CB LEU A 529 -4.885 -3.270 8.545 1.00 0.00 C ATOM 240 CG LEU A 529 -4.164 -2.514 7.423 1.00 0.00 C ATOM 241 CD1 LEU A 529 -2.898 -1.853 7.951 1.00 0.00 C ATOM 242 CD2 LEU A 529 -3.835 -3.450 6.274 1.00 0.00 C ATOM 0 H LEU A 529 -6.754 -2.110 7.417 1.00 0.00 H new ATOM 0 HA LEU A 529 -5.931 -4.806 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.120 -2.564 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.197 -4.005 8.963 1.00 0.00 H new ATOM 0 HG LEU A 529 -4.830 -1.735 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.400 -1.321 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.158 -1.149 8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.229 -2.615 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.324 -2.895 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.189 -4.252 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -4.756 -3.876 5.877 1.00 0.00 H new ATOM 254 N GLN A 530 -7.767 -3.779 9.944 1.00 0.00 N ATOM 255 CA GLN A 530 -8.458 -4.156 11.169 1.00 0.00 C ATOM 256 C GLN A 530 -9.550 -5.184 10.881 1.00 0.00 C ATOM 257 O GLN A 530 -9.988 -5.910 11.776 1.00 0.00 O ATOM 258 CB GLN A 530 -9.085 -2.919 11.820 1.00 0.00 C ATOM 259 CG GLN A 530 -8.148 -1.722 11.900 1.00 0.00 C ATOM 260 CD GLN A 530 -8.803 -0.503 12.520 1.00 0.00 C ATOM 261 OE1 GLN A 530 -9.691 -0.619 13.363 1.00 0.00 O ATOM 262 NE2 GLN A 530 -8.371 0.674 12.100 1.00 0.00 N ATOM 0 H GLN A 530 -8.050 -2.875 9.566 1.00 0.00 H new ATOM 0 HA GLN A 530 -7.729 -4.597 11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -9.974 -2.635 11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.415 -3.178 12.826 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.269 -1.993 12.485 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -7.800 -1.471 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -7.632 0.725 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -8.777 1.530 12.477 1.00 0.00 H new ATOM 271 N HIS A 531 -9.984 -5.247 9.629 1.00 0.00 N ATOM 272 CA HIS A 531 -11.108 -6.101 9.258 1.00 0.00 C ATOM 273 C HIS A 531 -10.659 -7.401 8.600 1.00 0.00 C ATOM 274 O HIS A 531 -11.365 -8.408 8.672 1.00 0.00 O ATOM 275 CB HIS A 531 -12.075 -5.342 8.344 1.00 0.00 C ATOM 276 CG HIS A 531 -12.896 -4.334 9.083 1.00 0.00 C ATOM 277 ND1 HIS A 531 -13.938 -4.720 9.890 1.00 0.00 N ATOM 278 CD2 HIS A 531 -12.773 -2.987 9.133 1.00 0.00 C ATOM 279 CE1 HIS A 531 -14.421 -3.609 10.414 1.00 0.00 C ATOM 280 NE2 HIS A 531 -13.749 -2.533 9.984 1.00 0.00 N ATOM 0 H HIS A 531 -9.578 -4.720 8.856 1.00 0.00 H new ATOM 0 HA HIS A 531 -11.624 -6.372 10.179 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -11.509 -4.839 7.560 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -12.738 -6.054 7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.047 -2.386 8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -15.253 -3.572 11.102 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -13.928 -1.562 10.240 1.00 0.00 H new ATOM 288 N GLY A 532 -9.491 -7.393 7.975 1.00 0.00 N ATOM 289 CA GLY A 532 -9.010 -8.595 7.322 1.00 0.00 C ATOM 290 C GLY A 532 -8.100 -8.299 6.151 1.00 0.00 C ATOM 291 O GLY A 532 -7.222 -9.098 5.825 1.00 0.00 O ATOM 0 H GLY A 532 -8.872 -6.585 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.475 -9.208 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -9.861 -9.181 6.976 1.00 0.00 H new ATOM 295 N TRP A 533 -8.316 -7.156 5.513 1.00 0.00 N ATOM 296 CA TRP A 533 -7.472 -6.721 4.407 1.00 0.00 C ATOM 297 C TRP A 533 -6.037 -6.529 4.870 1.00 0.00 C ATOM 298 O TRP A 533 -5.775 -6.348 6.061 1.00 0.00 O ATOM 299 CB TRP A 533 -7.975 -5.401 3.831 1.00 0.00 C ATOM 300 CG TRP A 533 -9.312 -5.486 3.175 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.524 -5.614 3.787 1.00 0.00 C ATOM 302 CD2 TRP A 533 -9.572 -5.422 1.772 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.521 -5.654 2.846 1.00 0.00 N ATOM 304 CE2 TRP A 533 -10.962 -5.531 1.601 1.00 0.00 C ATOM 305 CE3 TRP A 533 -8.760 -5.287 0.644 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -11.560 -5.505 0.345 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.353 -5.259 -0.601 1.00 0.00 C ATOM 308 CH2 TRP A 533 -10.740 -5.368 -0.743 1.00 0.00 C ATOM 0 H TRP A 533 -9.072 -6.511 5.744 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.511 -7.495 3.641 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.023 -4.663 4.632 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.250 -5.036 3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -10.676 -5.675 4.854 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.517 -5.758 3.041 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -7.688 -5.206 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -12.631 -5.590 0.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -8.736 -5.151 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.174 -5.344 -1.732 1.00 0.00 H new ATOM 319 N ARG A 534 -5.110 -6.552 3.931 1.00 0.00 N ATOM 320 CA ARG A 534 -3.718 -6.289 4.229 1.00 0.00 C ATOM 321 C ARG A 534 -3.209 -5.226 3.274 1.00 0.00 C ATOM 322 O ARG A 534 -3.791 -5.022 2.207 1.00 0.00 O ATOM 323 CB ARG A 534 -2.881 -7.566 4.090 1.00 0.00 C ATOM 324 CG ARG A 534 -3.217 -8.636 5.115 1.00 0.00 C ATOM 325 CD ARG A 534 -3.037 -8.124 6.535 1.00 0.00 C ATOM 326 NE ARG A 534 -3.404 -9.127 7.530 1.00 0.00 N ATOM 327 CZ ARG A 534 -4.394 -8.979 8.409 1.00 0.00 C ATOM 328 NH1 ARG A 534 -5.181 -7.910 8.367 1.00 0.00 N ATOM 329 NH2 ARG A 534 -4.614 -9.916 9.317 1.00 0.00 N ATOM 0 H ARG A 534 -5.300 -6.752 2.949 1.00 0.00 H new ATOM 0 HA ARG A 534 -3.629 -5.940 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.025 -7.976 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -1.826 -7.309 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.246 -8.966 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -2.579 -9.506 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -1.999 -7.828 6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.646 -7.232 6.678 1.00 0.00 H new ATOM 0 HE ARG A 534 -2.869 -9.995 7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -5.030 -7.193 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.936 -7.806 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -4.026 -10.749 9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -5.371 -9.805 9.991 1.00 0.00 H new ATOM 343 N ARG A 535 -2.132 -4.558 3.645 1.00 0.00 N ATOM 344 CA ARG A 535 -1.562 -3.564 2.762 1.00 0.00 C ATOM 345 C ARG A 535 -0.056 -3.534 2.912 1.00 0.00 C ATOM 346 O ARG A 535 0.473 -3.213 3.979 1.00 0.00 O ATOM 347 CB ARG A 535 -2.153 -2.196 3.097 1.00 0.00 C ATOM 348 CG ARG A 535 -1.842 -1.118 2.079 1.00 0.00 C ATOM 349 CD ARG A 535 -1.054 0.020 2.692 1.00 0.00 C ATOM 350 NE ARG A 535 -1.184 1.252 1.915 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.345 2.282 1.993 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.675 2.250 2.841 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.529 3.339 1.214 1.00 0.00 N ATOM 0 H ARG A 535 -1.645 -4.683 4.532 1.00 0.00 H new ATOM 0 HA ARG A 535 -1.800 -3.818 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.235 -2.293 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -1.778 -1.880 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.276 -1.549 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.772 -0.733 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -1.401 0.195 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.002 -0.260 2.757 1.00 0.00 H new ATOM 0 HE ARG A 535 -1.971 1.327 1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.818 1.434 3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 535 1.316 3.041 2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.311 3.360 0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 535 0.111 4.131 1.270 1.00 0.00 H new ATOM 367 N GLU A 536 0.622 -3.846 1.832 1.00 0.00 N ATOM 368 CA GLU A 536 2.064 -3.938 1.829 1.00 0.00 C ATOM 369 C GLU A 536 2.634 -2.917 0.860 1.00 0.00 C ATOM 370 O GLU A 536 2.068 -2.690 -0.202 1.00 0.00 O ATOM 371 CB GLU A 536 2.483 -5.348 1.413 1.00 0.00 C ATOM 372 CG GLU A 536 2.059 -6.418 2.403 1.00 0.00 C ATOM 373 CD GLU A 536 2.343 -7.823 1.916 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.879 -7.983 0.797 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.020 -8.781 2.648 1.00 0.00 O ATOM 0 H GLU A 536 0.189 -4.043 0.930 1.00 0.00 H new ATOM 0 HA GLU A 536 2.448 -3.733 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.052 -5.574 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.566 -5.378 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.577 -6.256 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.992 -6.318 2.603 1.00 0.00 H new ATOM 382 N VAL A 537 3.734 -2.291 1.222 1.00 0.00 N ATOM 383 CA VAL A 537 4.357 -1.317 0.344 1.00 0.00 C ATOM 384 C VAL A 537 5.733 -1.797 -0.070 1.00 0.00 C ATOM 385 O VAL A 537 6.590 -2.066 0.769 1.00 0.00 O ATOM 386 CB VAL A 537 4.469 0.073 1.006 1.00 0.00 C ATOM 387 CG1 VAL A 537 5.108 1.078 0.054 1.00 0.00 C ATOM 388 CG2 VAL A 537 3.100 0.559 1.451 1.00 0.00 C ATOM 0 H VAL A 537 4.214 -2.436 2.110 1.00 0.00 H new ATOM 0 HA VAL A 537 3.720 -1.216 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 537 5.109 -0.018 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 537 5.176 2.050 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 537 6.107 0.738 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.498 1.166 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 537 3.196 1.540 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.440 0.630 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.681 -0.144 2.171 1.00 0.00 H new ATOM 398 N ARG A 538 5.927 -1.914 -1.363 1.00 0.00 N ATOM 399 CA ARG A 538 7.174 -2.417 -1.905 1.00 0.00 C ATOM 400 C ARG A 538 7.994 -1.267 -2.470 1.00 0.00 C ATOM 401 O ARG A 538 7.536 -0.553 -3.362 1.00 0.00 O ATOM 402 CB ARG A 538 6.884 -3.455 -2.992 1.00 0.00 C ATOM 403 CG ARG A 538 5.934 -4.553 -2.539 1.00 0.00 C ATOM 404 CD ARG A 538 5.626 -5.527 -3.663 1.00 0.00 C ATOM 405 NE ARG A 538 4.604 -6.503 -3.282 1.00 0.00 N ATOM 406 CZ ARG A 538 4.425 -7.674 -3.892 1.00 0.00 C ATOM 407 NH1 ARG A 538 5.220 -8.033 -4.895 1.00 0.00 N ATOM 408 NH2 ARG A 538 3.449 -8.486 -3.501 1.00 0.00 N ATOM 0 H ARG A 538 5.232 -1.666 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 538 7.747 -2.894 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.459 -2.952 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.823 -3.906 -3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.374 -5.092 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.007 -4.107 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.289 -4.973 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.538 -6.051 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 538 3.990 -6.272 -2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.969 -7.411 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 538 5.081 -8.930 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 538 2.836 -8.213 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.313 -9.382 -3.969 1.00 0.00 H new ATOM 422 N ILE A 539 9.194 -1.072 -1.939 1.00 0.00 N ATOM 423 CA ILE A 539 10.057 -0.006 -2.411 1.00 0.00 C ATOM 424 C ILE A 539 11.318 -0.571 -3.057 1.00 0.00 C ATOM 425 O ILE A 539 12.069 -1.333 -2.443 1.00 0.00 O ATOM 426 CB ILE A 539 10.457 0.926 -1.260 1.00 0.00 C ATOM 427 CG1 ILE A 539 9.210 1.385 -0.505 1.00 0.00 C ATOM 428 CG2 ILE A 539 11.232 2.123 -1.793 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.504 2.316 0.644 1.00 0.00 C ATOM 0 H ILE A 539 9.587 -1.636 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 539 9.496 0.561 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 539 11.102 0.381 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.537 1.884 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.683 0.509 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.509 2.775 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 539 12.133 1.777 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.610 2.675 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.571 2.599 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 539 10.151 1.814 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 539 10.003 3.210 0.270 1.00 0.00 H new ATOM 441 N LYS A 540 11.535 -0.183 -4.296 1.00 0.00 N ATOM 442 CA LYS A 540 12.693 -0.646 -5.042 1.00 0.00 C ATOM 443 C LYS A 540 13.434 0.495 -5.716 1.00 0.00 C ATOM 444 O LYS A 540 12.844 1.514 -6.086 1.00 0.00 O ATOM 445 CB LYS A 540 12.278 -1.690 -6.080 1.00 0.00 C ATOM 446 CG LYS A 540 11.344 -1.156 -7.156 1.00 0.00 C ATOM 447 CD LYS A 540 10.882 -2.260 -8.095 1.00 0.00 C ATOM 448 CE LYS A 540 12.055 -2.985 -8.731 1.00 0.00 C ATOM 449 NZ LYS A 540 11.610 -4.067 -9.645 1.00 0.00 N ATOM 0 H LYS A 540 10.926 0.453 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 540 13.376 -1.102 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 540 13.173 -2.090 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.790 -2.521 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.477 -0.690 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.853 -0.380 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 540 10.269 -2.973 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 540 10.251 -1.834 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 540 12.666 -2.271 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 540 12.687 -3.407 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 12.441 -4.536 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 11.049 -4.762 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 11.028 -3.662 -10.406 1.00 0.00 H new ATOM 463 N LYS A 541 14.738 0.320 -5.853 1.00 0.00 N ATOM 464 CA LYS A 541 15.528 1.279 -6.593 1.00 0.00 C ATOM 465 C LYS A 541 15.264 1.081 -8.077 1.00 0.00 C ATOM 466 O LYS A 541 15.474 -0.008 -8.614 1.00 0.00 O ATOM 467 CB LYS A 541 17.014 1.099 -6.290 1.00 0.00 C ATOM 468 CG LYS A 541 17.924 1.950 -7.161 1.00 0.00 C ATOM 469 CD LYS A 541 17.721 3.431 -6.917 1.00 0.00 C ATOM 470 CE LYS A 541 18.712 4.263 -7.711 1.00 0.00 C ATOM 471 NZ LYS A 541 18.637 3.998 -9.174 1.00 0.00 N ATOM 0 H LYS A 541 15.262 -0.465 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 541 15.247 2.290 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 541 17.194 1.344 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.278 0.050 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.964 1.689 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.734 1.726 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.704 3.711 -7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.833 3.645 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.523 5.321 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 541 19.722 4.053 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 18.819 4.879 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 19.350 3.287 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 17.690 3.643 -9.414 1.00 0.00 H new ATOM 485 N GLY A 542 14.800 2.124 -8.730 1.00 0.00 N ATOM 486 CA GLY A 542 14.415 2.010 -10.117 1.00 0.00 C ATOM 487 C GLY A 542 15.514 2.458 -11.046 1.00 0.00 C ATOM 488 O GLY A 542 16.482 3.088 -10.614 1.00 0.00 O ATOM 0 H GLY A 542 14.681 3.053 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.154 0.975 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.522 2.609 -10.296 1.00 0.00 H new ATOM 492 N SER A 543 15.363 2.142 -12.321 1.00 0.00 N ATOM 493 CA SER A 543 16.345 2.509 -13.327 1.00 0.00 C ATOM 494 C SER A 543 16.327 4.014 -13.569 1.00 0.00 C ATOM 495 O SER A 543 17.286 4.587 -14.085 1.00 0.00 O ATOM 496 CB SER A 543 16.042 1.771 -14.629 1.00 0.00 C ATOM 497 OG SER A 543 15.900 0.376 -14.400 1.00 0.00 O ATOM 0 H SER A 543 14.562 1.627 -12.686 1.00 0.00 H new ATOM 0 HA SER A 543 17.336 2.228 -12.970 1.00 0.00 H new ATOM 0 HB2 SER A 543 15.127 2.166 -15.071 1.00 0.00 H new ATOM 0 HB3 SER A 543 16.844 1.946 -15.346 1.00 0.00 H new ATOM 0 HG SER A 543 15.705 -0.076 -15.247 1.00 0.00 H new ATOM 503 N HIS A 544 15.229 4.645 -13.185 1.00 0.00 N ATOM 504 CA HIS A 544 15.054 6.070 -13.405 1.00 0.00 C ATOM 505 C HIS A 544 15.142 6.827 -12.091 1.00 0.00 C ATOM 506 O HIS A 544 15.875 7.810 -11.973 1.00 0.00 O ATOM 507 CB HIS A 544 13.701 6.342 -14.066 1.00 0.00 C ATOM 508 CG HIS A 544 13.471 5.546 -15.314 1.00 0.00 C ATOM 509 ND1 HIS A 544 13.924 5.979 -16.536 1.00 0.00 N ATOM 510 CD2 HIS A 544 12.854 4.350 -15.469 1.00 0.00 C ATOM 511 CE1 HIS A 544 13.577 5.041 -17.401 1.00 0.00 C ATOM 512 NE2 HIS A 544 12.928 4.036 -16.800 1.00 0.00 N ATOM 0 H HIS A 544 14.444 4.191 -12.718 1.00 0.00 H new ATOM 0 HA HIS A 544 15.851 6.414 -14.065 1.00 0.00 H new ATOM 0 HB2 HIS A 544 12.907 6.121 -13.353 1.00 0.00 H new ATOM 0 HB3 HIS A 544 13.629 7.403 -14.304 1.00 0.00 H new ATOM 0 HD2 HIS A 544 12.393 3.758 -14.692 1.00 0.00 H new ATOM 0 HE1 HIS A 544 13.790 5.081 -18.459 1.00 0.00 H new ATOM 0 HE2 HIS A 544 12.559 3.197 -17.248 1.00 0.00 H new ATOM 520 N ARG A 545 14.389 6.364 -11.105 1.00 0.00 N ATOM 521 CA ARG A 545 14.315 7.042 -9.822 1.00 0.00 C ATOM 522 C ARG A 545 13.975 6.048 -8.718 1.00 0.00 C ATOM 523 O ARG A 545 13.896 4.844 -8.958 1.00 0.00 O ATOM 524 CB ARG A 545 13.246 8.134 -9.889 1.00 0.00 C ATOM 525 CG ARG A 545 13.668 9.447 -9.260 1.00 0.00 C ATOM 526 CD ARG A 545 12.557 10.478 -9.346 1.00 0.00 C ATOM 527 NE ARG A 545 12.976 11.777 -8.832 1.00 0.00 N ATOM 528 CZ ARG A 545 12.251 12.888 -8.934 1.00 0.00 C ATOM 529 NH1 ARG A 545 11.054 12.856 -9.512 1.00 0.00 N ATOM 530 NH2 ARG A 545 12.727 14.029 -8.457 1.00 0.00 N ATOM 0 H ARG A 545 13.820 5.520 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 545 15.282 7.492 -9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 545 12.985 8.310 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 545 12.345 7.777 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 545 13.936 9.284 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 545 14.558 9.825 -9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 545 12.240 10.584 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 545 11.692 10.127 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 545 13.881 11.838 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 545 10.688 11.977 -9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 545 10.501 13.710 -9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 545 13.645 14.053 -8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 545 12.175 14.883 -8.533 1.00 0.00 H new ATOM 544 N TRP A 546 13.776 6.557 -7.513 1.00 0.00 N ATOM 545 CA TRP A 546 13.333 5.715 -6.415 1.00 0.00 C ATOM 546 C TRP A 546 11.828 5.585 -6.463 1.00 0.00 C ATOM 547 O TRP A 546 11.113 6.588 -6.476 1.00 0.00 O ATOM 548 CB TRP A 546 13.770 6.274 -5.065 1.00 0.00 C ATOM 549 CG TRP A 546 15.163 5.882 -4.710 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.313 6.512 -5.084 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.555 4.752 -3.924 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.399 5.846 -4.572 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.959 4.763 -3.857 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.853 3.731 -3.267 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.677 3.796 -3.164 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.570 2.772 -2.577 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.969 2.809 -2.531 1.00 0.00 C ATOM 0 H TRP A 546 13.913 7.539 -7.272 1.00 0.00 H new ATOM 0 HA TRP A 546 13.794 4.734 -6.526 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.695 7.361 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 546 13.088 5.921 -4.291 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.362 7.403 -5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.375 6.114 -4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.774 3.695 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.756 3.822 -3.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 15.043 1.981 -2.065 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.501 2.044 -1.985 1.00 0.00 H new ATOM 568 N GLN A 547 11.346 4.357 -6.504 1.00 0.00 N ATOM 569 CA GLN A 547 9.924 4.124 -6.621 1.00 0.00 C ATOM 570 C GLN A 547 9.408 3.197 -5.538 1.00 0.00 C ATOM 571 O GLN A 547 10.100 2.290 -5.071 1.00 0.00 O ATOM 572 CB GLN A 547 9.605 3.536 -7.994 1.00 0.00 C ATOM 573 CG GLN A 547 10.273 2.196 -8.229 1.00 0.00 C ATOM 574 CD GLN A 547 10.006 1.631 -9.607 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.745 1.894 -10.556 1.00 0.00 O ATOM 576 NE2 GLN A 547 8.957 0.835 -9.722 1.00 0.00 N ATOM 0 H GLN A 547 11.916 3.512 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 547 9.424 5.085 -6.502 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.526 3.421 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.923 4.236 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.349 2.304 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.924 1.487 -7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.371 0.643 -8.910 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.734 0.412 -10.623 1.00 0.00 H new ATOM 585 N GLY A 548 8.183 3.455 -5.153 1.00 0.00 N ATOM 586 CA GLY A 548 7.487 2.607 -4.222 1.00 0.00 C ATOM 587 C GLY A 548 6.089 2.329 -4.709 1.00 0.00 C ATOM 588 O GLY A 548 5.510 3.144 -5.430 1.00 0.00 O ATOM 0 H GLY A 548 7.642 4.257 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 548 8.029 1.669 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.450 3.085 -3.243 1.00 0.00 H new ATOM 592 N GLU A 549 5.545 1.189 -4.347 1.00 0.00 N ATOM 593 CA GLU A 549 4.195 0.854 -4.750 1.00 0.00 C ATOM 594 C GLU A 549 3.462 0.167 -3.620 1.00 0.00 C ATOM 595 O GLU A 549 4.054 -0.536 -2.801 1.00 0.00 O ATOM 596 CB GLU A 549 4.189 -0.020 -6.006 1.00 0.00 C ATOM 597 CG GLU A 549 4.691 -1.427 -5.772 1.00 0.00 C ATOM 598 CD GLU A 549 4.997 -2.154 -7.065 1.00 0.00 C ATOM 599 OE1 GLU A 549 6.143 -2.060 -7.546 1.00 0.00 O ATOM 600 OE2 GLU A 549 4.093 -2.820 -7.612 1.00 0.00 O ATOM 0 H GLU A 549 6.011 0.482 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 549 3.677 1.782 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.174 -0.067 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.806 0.454 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.590 -1.391 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.943 -1.988 -5.211 1.00 0.00 H new ATOM 607 N THR A 550 2.177 0.394 -3.587 1.00 0.00 N ATOM 608 CA THR A 550 1.347 -0.137 -2.531 1.00 0.00 C ATOM 609 C THR A 550 0.505 -1.297 -3.035 1.00 0.00 C ATOM 610 O THR A 550 -0.169 -1.194 -4.057 1.00 0.00 O ATOM 611 CB THR A 550 0.437 0.946 -1.948 1.00 0.00 C ATOM 612 OG1 THR A 550 1.222 1.950 -1.291 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.554 0.342 -0.976 1.00 0.00 C ATOM 0 H THR A 550 1.676 0.947 -4.283 1.00 0.00 H new ATOM 0 HA THR A 550 2.010 -0.497 -1.744 1.00 0.00 H new ATOM 0 HB THR A 550 -0.117 1.408 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.267 2.751 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.192 1.128 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.169 -0.395 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.016 -0.143 -0.162 1.00 0.00 H new ATOM 621 N TRP A 551 0.607 -2.416 -2.349 1.00 0.00 N ATOM 622 CA TRP A 551 -0.146 -3.592 -2.713 1.00 0.00 C ATOM 623 C TRP A 551 -1.236 -3.871 -1.682 1.00 0.00 C ATOM 624 O TRP A 551 -1.087 -3.592 -0.489 1.00 0.00 O ATOM 625 CB TRP A 551 0.771 -4.805 -2.854 1.00 0.00 C ATOM 626 CG TRP A 551 1.392 -4.911 -4.211 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.233 -4.015 -4.797 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.214 -5.974 -5.153 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.585 -4.449 -6.051 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.974 -5.652 -6.292 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.484 -7.166 -5.145 1.00 0.00 C ATOM 632 CZ2 TRP A 551 2.026 -6.480 -7.411 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.536 -7.986 -6.256 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.302 -7.640 -7.375 1.00 0.00 C ATOM 0 H TRP A 551 1.208 -2.533 -1.533 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.617 -3.405 -3.678 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.559 -4.748 -2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.201 -5.711 -2.649 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.574 -3.097 -4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.201 -3.956 -6.698 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.110 -7.441 -4.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.617 -6.216 -8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.024 -8.909 -6.261 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.322 -8.303 -8.228 1.00 0.00 H new ATOM 645 N TYR A 552 -2.323 -4.420 -2.180 1.00 0.00 N ATOM 646 CA TYR A 552 -3.449 -4.814 -1.344 1.00 0.00 C ATOM 647 C TYR A 552 -3.863 -6.232 -1.675 1.00 0.00 C ATOM 648 O TYR A 552 -3.673 -6.698 -2.798 1.00 0.00 O ATOM 649 CB TYR A 552 -4.648 -3.876 -1.541 1.00 0.00 C ATOM 650 CG TYR A 552 -4.667 -2.636 -0.661 1.00 0.00 C ATOM 651 CD1 TYR A 552 -4.033 -1.462 -1.048 1.00 0.00 C ATOM 652 CD2 TYR A 552 -5.358 -2.633 0.546 1.00 0.00 C ATOM 653 CE1 TYR A 552 -4.085 -0.329 -0.263 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.417 -1.499 1.334 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.780 -0.350 0.923 1.00 0.00 C ATOM 656 OH TYR A 552 -4.832 0.783 1.704 1.00 0.00 O ATOM 0 H TYR A 552 -2.456 -4.608 -3.174 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.131 -4.752 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.671 -3.559 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.562 -4.442 -1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -3.489 -1.436 -1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -5.857 -3.533 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -3.581 0.572 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -5.960 -1.514 2.267 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.363 0.602 2.508 1.00 0.00 H new ATOM 666 N TYR A 553 -4.421 -6.927 -0.704 1.00 0.00 N ATOM 667 CA TYR A 553 -4.849 -8.297 -0.902 1.00 0.00 C ATOM 668 C TYR A 553 -6.234 -8.495 -0.313 1.00 0.00 C ATOM 669 O TYR A 553 -6.482 -8.130 0.839 1.00 0.00 O ATOM 670 CB TYR A 553 -3.849 -9.259 -0.245 1.00 0.00 C ATOM 671 CG TYR A 553 -2.403 -8.955 -0.587 1.00 0.00 C ATOM 672 CD1 TYR A 553 -1.667 -8.061 0.182 1.00 0.00 C ATOM 673 CD2 TYR A 553 -1.780 -9.545 -1.680 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.356 -7.765 -0.127 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.463 -9.254 -1.994 1.00 0.00 C ATOM 676 CZ TYR A 553 0.243 -8.362 -1.212 1.00 0.00 C ATOM 677 OH TYR A 553 1.556 -8.067 -1.512 1.00 0.00 O ATOM 0 H TYR A 553 -4.589 -6.563 0.234 1.00 0.00 H new ATOM 0 HA TYR A 553 -4.888 -8.508 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -3.975 -9.218 0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.081 -10.278 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.130 -7.590 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.332 -10.241 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.199 -7.066 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.009 -9.722 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 553 2.116 -8.228 -0.724 1.00 0.00 H new ATOM 687 N GLY A 554 -7.135 -9.050 -1.112 1.00 0.00 N ATOM 688 CA GLY A 554 -8.476 -9.310 -0.641 1.00 0.00 C ATOM 689 C GLY A 554 -8.499 -10.426 0.380 1.00 0.00 C ATOM 690 O GLY A 554 -7.885 -11.469 0.166 1.00 0.00 O ATOM 0 H GLY A 554 -6.959 -9.324 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -8.890 -8.403 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.114 -9.574 -1.484 1.00 0.00 H new ATOM 694 N PRO A 555 -9.209 -10.245 1.498 1.00 0.00 N ATOM 695 CA PRO A 555 -9.236 -11.231 2.581 1.00 0.00 C ATOM 696 C PRO A 555 -10.067 -12.462 2.226 1.00 0.00 C ATOM 697 O PRO A 555 -10.110 -13.439 2.975 1.00 0.00 O ATOM 698 CB PRO A 555 -9.876 -10.462 3.736 1.00 0.00 C ATOM 699 CG PRO A 555 -10.743 -9.445 3.079 1.00 0.00 C ATOM 700 CD PRO A 555 -10.050 -9.068 1.798 1.00 0.00 C ATOM 0 HA PRO A 555 -8.243 -11.620 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -10.458 -11.123 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.120 -9.991 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -11.736 -9.849 2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -10.876 -8.574 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -10.764 -8.872 0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -9.449 -8.166 1.917 1.00 0.00 H new ATOM 708 N CYS A 556 -10.732 -12.402 1.083 1.00 0.00 N ATOM 709 CA CYS A 556 -11.623 -13.468 0.651 1.00 0.00 C ATOM 710 C CYS A 556 -11.507 -13.713 -0.852 1.00 0.00 C ATOM 711 O CYS A 556 -12.276 -14.492 -1.421 1.00 0.00 O ATOM 712 CB CYS A 556 -13.070 -13.126 1.016 1.00 0.00 C ATOM 713 SG CYS A 556 -13.358 -12.931 2.792 1.00 0.00 S ATOM 0 H CYS A 556 -10.670 -11.619 0.432 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.328 -14.382 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.353 -12.203 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.724 -13.911 0.637 1.00 0.00 H new ATOM 0 HG CYS A 556 -14.608 -12.641 3.000 1.00 0.00 H new ATOM 719 N GLY A 557 -10.554 -13.053 -1.504 1.00 0.00 N ATOM 720 CA GLY A 557 -10.513 -13.085 -2.952 1.00 0.00 C ATOM 721 C GLY A 557 -9.132 -12.818 -3.520 1.00 0.00 C ATOM 722 O GLY A 557 -8.120 -13.232 -2.951 1.00 0.00 O ATOM 0 H GLY A 557 -9.818 -12.503 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -10.858 -14.060 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.209 -12.344 -3.345 1.00 0.00 H new ATOM 726 N LYS A 558 -9.105 -12.112 -4.640 1.00 0.00 N ATOM 727 CA LYS A 558 -7.857 -11.840 -5.352 1.00 0.00 C ATOM 728 C LYS A 558 -7.084 -10.693 -4.697 1.00 0.00 C ATOM 729 O LYS A 558 -7.488 -10.176 -3.655 1.00 0.00 O ATOM 730 CB LYS A 558 -8.118 -11.534 -6.836 1.00 0.00 C ATOM 731 CG LYS A 558 -8.764 -10.183 -7.124 1.00 0.00 C ATOM 732 CD LYS A 558 -10.265 -10.205 -6.896 1.00 0.00 C ATOM 733 CE LYS A 558 -10.950 -9.041 -7.597 1.00 0.00 C ATOM 734 NZ LYS A 558 -10.810 -9.128 -9.076 1.00 0.00 N ATOM 0 H LYS A 558 -9.935 -11.714 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.245 -12.740 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.170 -11.585 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -8.757 -12.317 -7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.312 -9.423 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -8.559 -9.897 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -10.676 -11.145 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -10.473 -10.161 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -12.007 -9.028 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -10.522 -8.102 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -11.593 -8.615 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -9.905 -8.705 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -10.835 -10.126 -9.369 1.00 0.00 H new ATOM 748 N ARG A 559 -5.970 -10.298 -5.306 1.00 0.00 N ATOM 749 CA ARG A 559 -5.189 -9.186 -4.787 1.00 0.00 C ATOM 750 C ARG A 559 -5.186 -8.037 -5.780 1.00 0.00 C ATOM 751 O ARG A 559 -5.086 -8.240 -6.992 1.00 0.00 O ATOM 752 CB ARG A 559 -3.750 -9.599 -4.443 1.00 0.00 C ATOM 753 CG ARG A 559 -2.824 -9.786 -5.639 1.00 0.00 C ATOM 754 CD ARG A 559 -3.019 -11.132 -6.317 1.00 0.00 C ATOM 755 NE ARG A 559 -2.774 -12.248 -5.403 1.00 0.00 N ATOM 756 CZ ARG A 559 -2.103 -13.352 -5.734 1.00 0.00 C ATOM 757 NH1 ARG A 559 -1.572 -13.476 -6.945 1.00 0.00 N ATOM 758 NH2 ARG A 559 -1.947 -14.324 -4.845 1.00 0.00 N ATOM 0 H ARG A 559 -5.593 -10.728 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.662 -8.860 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.320 -8.844 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -3.782 -10.531 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.002 -8.989 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -1.788 -9.694 -5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.035 -11.198 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -2.346 -11.208 -7.171 1.00 0.00 H new ATOM 0 HE ARG A 559 -3.139 -12.177 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -1.676 -12.725 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -1.060 -14.322 -7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -2.340 -14.227 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -1.434 -15.169 -5.098 1.00 0.00 H new ATOM 772 N MET A 560 -5.317 -6.835 -5.259 1.00 0.00 N ATOM 773 CA MET A 560 -5.386 -5.654 -6.090 1.00 0.00 C ATOM 774 C MET A 560 -4.306 -4.666 -5.683 1.00 0.00 C ATOM 775 O MET A 560 -3.983 -4.544 -4.508 1.00 0.00 O ATOM 776 CB MET A 560 -6.768 -5.002 -5.976 1.00 0.00 C ATOM 777 CG MET A 560 -7.924 -5.894 -6.425 1.00 0.00 C ATOM 778 SD MET A 560 -8.327 -7.207 -5.253 1.00 0.00 S ATOM 779 CE MET A 560 -8.601 -6.256 -3.762 1.00 0.00 C ATOM 0 H MET A 560 -5.378 -6.651 -4.258 1.00 0.00 H new ATOM 0 HA MET A 560 -5.224 -5.947 -7.127 1.00 0.00 H new ATOM 0 HB2 MET A 560 -6.933 -4.708 -4.940 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.776 -4.089 -6.572 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.808 -5.276 -6.582 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.673 -6.342 -7.386 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.261 -6.809 -3.094 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.648 -6.077 -3.264 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.061 -5.302 -4.019 1.00 0.00 H new ATOM 789 N LYS A 561 -3.749 -3.958 -6.646 1.00 0.00 N ATOM 790 CA LYS A 561 -2.739 -2.958 -6.343 1.00 0.00 C ATOM 791 C LYS A 561 -2.944 -1.717 -7.206 1.00 0.00 C ATOM 792 O LYS A 561 -2.107 -0.815 -7.254 1.00 0.00 O ATOM 793 CB LYS A 561 -1.332 -3.533 -6.498 1.00 0.00 C ATOM 794 CG LYS A 561 -1.072 -4.243 -7.817 1.00 0.00 C ATOM 795 CD LYS A 561 -0.654 -3.284 -8.914 1.00 0.00 C ATOM 796 CE LYS A 561 0.704 -2.661 -8.636 1.00 0.00 C ATOM 797 NZ LYS A 561 1.195 -1.888 -9.803 1.00 0.00 N ATOM 0 H LYS A 561 -3.974 -4.053 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.848 -2.659 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.610 -2.723 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.150 -4.233 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.293 -4.992 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.973 -4.774 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.622 -3.813 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.401 -2.497 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.634 -2.006 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.421 -3.444 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 2.054 -1.366 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.413 -2.539 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 0.462 -1.216 -10.107 1.00 0.00 H new ATOM 811 N GLN A 562 -4.078 -1.696 -7.877 1.00 0.00 N ATOM 812 CA GLN A 562 -4.510 -0.544 -8.634 1.00 0.00 C ATOM 813 C GLN A 562 -5.827 -0.041 -8.077 1.00 0.00 C ATOM 814 O GLN A 562 -6.656 -0.830 -7.619 1.00 0.00 O ATOM 815 CB GLN A 562 -4.672 -0.899 -10.110 1.00 0.00 C ATOM 816 CG GLN A 562 -3.396 -1.400 -10.765 1.00 0.00 C ATOM 817 CD GLN A 562 -2.291 -0.356 -10.783 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.105 -0.684 -10.725 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.665 0.907 -10.884 1.00 0.00 N ATOM 0 H GLN A 562 -4.727 -2.482 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.754 0.237 -8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.443 -1.663 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.025 -0.020 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.044 -2.285 -10.234 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.615 -1.708 -11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.656 1.143 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -1.963 1.646 -10.916 1.00 0.00 H new ATOM 828 N PHE A 563 -6.009 1.266 -8.111 1.00 0.00 N ATOM 829 CA PHE A 563 -7.255 1.882 -7.680 1.00 0.00 C ATOM 830 C PHE A 563 -8.465 1.263 -8.401 1.00 0.00 C ATOM 831 O PHE A 563 -9.430 0.861 -7.750 1.00 0.00 O ATOM 832 CB PHE A 563 -7.195 3.395 -7.913 1.00 0.00 C ATOM 833 CG PHE A 563 -8.355 4.154 -7.337 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.892 3.804 -6.108 1.00 0.00 C ATOM 835 CD2 PHE A 563 -8.905 5.223 -8.023 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.953 4.506 -5.578 1.00 0.00 C ATOM 837 CE2 PHE A 563 -9.967 5.930 -7.495 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.492 5.571 -6.271 1.00 0.00 C ATOM 0 H PHE A 563 -5.304 1.928 -8.435 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.382 1.694 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.272 3.781 -7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.148 3.584 -8.985 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.475 2.972 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.499 5.507 -8.982 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.363 4.223 -4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.386 6.763 -8.040 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.323 6.122 -5.856 1.00 0.00 H new ATOM 848 N PRO A 564 -8.426 1.142 -9.751 1.00 0.00 N ATOM 849 CA PRO A 564 -9.528 0.550 -10.522 1.00 0.00 C ATOM 850 C PRO A 564 -9.752 -0.929 -10.206 1.00 0.00 C ATOM 851 O PRO A 564 -10.795 -1.484 -10.542 1.00 0.00 O ATOM 852 CB PRO A 564 -9.086 0.718 -11.978 1.00 0.00 C ATOM 853 CG PRO A 564 -7.608 0.844 -11.907 1.00 0.00 C ATOM 854 CD PRO A 564 -7.332 1.583 -10.638 1.00 0.00 C ATOM 0 HA PRO A 564 -10.477 1.034 -10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.382 -0.138 -12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.538 1.601 -12.431 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.130 -0.136 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.218 1.385 -12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.354 1.330 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.345 2.662 -10.789 1.00 0.00 H new ATOM 862 N GLU A 565 -8.788 -1.564 -9.541 1.00 0.00 N ATOM 863 CA GLU A 565 -8.938 -2.954 -9.112 1.00 0.00 C ATOM 864 C GLU A 565 -9.695 -3.047 -7.794 1.00 0.00 C ATOM 865 O GLU A 565 -10.356 -4.044 -7.510 1.00 0.00 O ATOM 866 CB GLU A 565 -7.577 -3.625 -8.942 1.00 0.00 C ATOM 867 CG GLU A 565 -6.843 -3.929 -10.232 1.00 0.00 C ATOM 868 CD GLU A 565 -5.548 -4.676 -9.975 1.00 0.00 C ATOM 869 OE1 GLU A 565 -4.676 -4.141 -9.261 1.00 0.00 O ATOM 870 OE2 GLU A 565 -5.405 -5.814 -10.468 1.00 0.00 O ATOM 0 H GLU A 565 -7.896 -1.139 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.504 -3.466 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -6.947 -2.982 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -7.715 -4.556 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.483 -4.523 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.629 -2.998 -10.757 1.00 0.00 H new ATOM 877 N VAL A 566 -9.580 -2.021 -6.981 1.00 0.00 N ATOM 878 CA VAL A 566 -10.239 -2.028 -5.686 1.00 0.00 C ATOM 879 C VAL A 566 -11.727 -1.707 -5.827 1.00 0.00 C ATOM 880 O VAL A 566 -12.574 -2.364 -5.218 1.00 0.00 O ATOM 881 CB VAL A 566 -9.551 -1.070 -4.690 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.391 -0.897 -3.434 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.161 -1.596 -4.334 1.00 0.00 C ATOM 0 H VAL A 566 -9.044 -1.178 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.150 -3.035 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.450 -0.094 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.885 -0.218 -2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.364 -0.485 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.527 -1.865 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.683 -0.914 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.251 -2.582 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.556 -1.667 -5.238 1.00 0.00 H new ATOM 893 N ILE A 567 -12.040 -0.720 -6.665 1.00 0.00 N ATOM 894 CA ILE A 567 -13.430 -0.295 -6.885 1.00 0.00 C ATOM 895 C ILE A 567 -14.279 -1.447 -7.416 1.00 0.00 C ATOM 896 O ILE A 567 -15.464 -1.565 -7.098 1.00 0.00 O ATOM 897 CB ILE A 567 -13.526 0.880 -7.882 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.390 1.873 -7.651 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.870 1.583 -7.737 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.343 2.422 -6.246 1.00 0.00 C ATOM 0 H ILE A 567 -11.352 -0.196 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.806 0.030 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.440 0.482 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.441 1.385 -7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.494 2.701 -8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.926 2.410 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.674 0.876 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -14.972 1.967 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.511 3.120 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.277 2.940 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.207 1.603 -5.540 1.00 0.00 H new ATOM 912 N LYS A 568 -13.651 -2.310 -8.199 1.00 0.00 N ATOM 913 CA LYS A 568 -14.362 -3.446 -8.763 1.00 0.00 C ATOM 914 C LYS A 568 -14.621 -4.509 -7.704 1.00 0.00 C ATOM 915 O LYS A 568 -15.689 -5.115 -7.679 1.00 0.00 O ATOM 916 CB LYS A 568 -13.629 -4.035 -9.972 1.00 0.00 C ATOM 917 CG LYS A 568 -12.205 -4.453 -9.683 1.00 0.00 C ATOM 918 CD LYS A 568 -11.529 -5.067 -10.901 1.00 0.00 C ATOM 919 CE LYS A 568 -11.411 -4.073 -12.046 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.732 -4.664 -13.229 1.00 0.00 N ATOM 0 H LYS A 568 -12.666 -2.248 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.326 -3.082 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.184 -4.900 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.625 -3.299 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.634 -3.586 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.198 -5.172 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.536 -5.422 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.097 -5.936 -11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.405 -3.730 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -10.856 -3.197 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -10.672 -3.953 -13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -9.774 -4.968 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.274 -5.485 -13.567 1.00 0.00 H new ATOM 934 N TYR A 569 -13.658 -4.721 -6.809 1.00 0.00 N ATOM 935 CA TYR A 569 -13.772 -5.743 -5.779 1.00 0.00 C ATOM 936 C TYR A 569 -14.920 -5.409 -4.842 1.00 0.00 C ATOM 937 O TYR A 569 -15.707 -6.279 -4.473 1.00 0.00 O ATOM 938 CB TYR A 569 -12.460 -5.850 -4.990 1.00 0.00 C ATOM 939 CG TYR A 569 -12.416 -6.999 -3.998 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.008 -6.891 -2.745 1.00 0.00 C ATOM 941 CD2 TYR A 569 -11.770 -8.186 -4.315 1.00 0.00 C ATOM 942 CE1 TYR A 569 -12.958 -7.935 -1.839 1.00 0.00 C ATOM 943 CE2 TYR A 569 -11.715 -9.235 -3.416 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.311 -9.105 -2.179 1.00 0.00 C ATOM 945 OH TYR A 569 -12.258 -10.145 -1.277 1.00 0.00 O ATOM 0 H TYR A 569 -12.786 -4.193 -6.780 1.00 0.00 H new ATOM 0 HA TYR A 569 -13.972 -6.703 -6.256 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -11.635 -5.962 -5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.296 -4.916 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -13.515 -5.977 -2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.301 -8.292 -5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -13.423 -7.835 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.208 -10.151 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 569 -11.985 -10.965 -1.739 1.00 0.00 H new ATOM 955 N LEU A 570 -15.021 -4.136 -4.487 1.00 0.00 N ATOM 956 CA LEU A 570 -16.047 -3.675 -3.565 1.00 0.00 C ATOM 957 C LEU A 570 -17.437 -3.859 -4.163 1.00 0.00 C ATOM 958 O LEU A 570 -18.396 -4.147 -3.452 1.00 0.00 O ATOM 959 CB LEU A 570 -15.825 -2.203 -3.224 1.00 0.00 C ATOM 960 CG LEU A 570 -14.399 -1.837 -2.810 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.322 -0.376 -2.408 1.00 0.00 C ATOM 962 CD2 LEU A 570 -13.916 -2.732 -1.681 1.00 0.00 C ATOM 0 H LEU A 570 -14.401 -3.401 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 570 -15.978 -4.271 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.100 -1.601 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.503 -1.928 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 570 -13.744 -1.993 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.300 -0.132 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.618 0.249 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -14.992 -0.194 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -12.900 -2.452 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.572 -2.616 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.930 -3.771 -2.009 1.00 0.00 H new ATOM 974 N SER A 571 -17.546 -3.661 -5.467 1.00 0.00 N ATOM 975 CA SER A 571 -18.812 -3.842 -6.159 1.00 0.00 C ATOM 976 C SER A 571 -19.152 -5.327 -6.306 1.00 0.00 C ATOM 977 O SER A 571 -20.289 -5.741 -6.079 1.00 0.00 O ATOM 978 CB SER A 571 -18.767 -3.168 -7.533 1.00 0.00 C ATOM 979 OG SER A 571 -20.028 -3.233 -8.178 1.00 0.00 O ATOM 0 H SER A 571 -16.773 -3.375 -6.068 1.00 0.00 H new ATOM 0 HA SER A 571 -19.594 -3.374 -5.562 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.467 -2.126 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 571 -18.013 -3.652 -8.154 1.00 0.00 H new ATOM 0 HG SER A 571 -19.971 -2.794 -9.052 1.00 0.00 H new ATOM 985 N ARG A 572 -18.153 -6.123 -6.678 1.00 0.00 N ATOM 986 CA ARG A 572 -18.352 -7.545 -6.960 1.00 0.00 C ATOM 987 C ARG A 572 -18.565 -8.351 -5.683 1.00 0.00 C ATOM 988 O ARG A 572 -19.105 -9.457 -5.718 1.00 0.00 O ATOM 989 CB ARG A 572 -17.144 -8.100 -7.718 1.00 0.00 C ATOM 990 CG ARG A 572 -16.939 -7.465 -9.083 1.00 0.00 C ATOM 991 CD ARG A 572 -15.581 -7.817 -9.673 1.00 0.00 C ATOM 992 NE ARG A 572 -15.372 -9.262 -9.766 1.00 0.00 N ATOM 993 CZ ARG A 572 -14.579 -9.848 -10.663 1.00 0.00 C ATOM 994 NH1 ARG A 572 -13.968 -9.126 -11.589 1.00 0.00 N ATOM 995 NH2 ARG A 572 -14.409 -11.162 -10.640 1.00 0.00 N ATOM 0 H ARG A 572 -17.190 -5.806 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.250 -7.637 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.247 -7.948 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.266 -9.176 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.726 -7.797 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.028 -6.382 -8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.493 -7.375 -10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -14.796 -7.378 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 572 -15.865 -9.859 -9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.103 -8.115 -11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.362 -9.580 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -14.885 -11.726 -9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -13.802 -11.610 -11.327 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.133 -7.798 -4.565 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.226 -8.484 -3.284 1.00 0.00 C ATOM 1011 C ASN A 573 -19.059 -7.663 -2.316 1.00 0.00 C ATOM 1012 O ASN A 573 -19.471 -6.551 -2.639 1.00 0.00 O ATOM 1013 CB ASN A 573 -16.828 -8.711 -2.704 1.00 0.00 C ATOM 1014 CG ASN A 573 -15.986 -9.650 -3.547 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -15.942 -10.855 -3.299 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.319 -9.107 -4.558 1.00 0.00 N ATOM 0 H ASN A 573 -17.712 -6.870 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 573 -18.706 -9.451 -3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.317 -7.753 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -16.919 -9.118 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -14.744 -9.693 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.382 -8.104 -4.730 1.00 0.00 H new ATOM 1023 N VAL A 574 -19.316 -8.203 -1.136 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.041 -7.458 -0.122 1.00 0.00 C ATOM 1025 C VAL A 574 -19.067 -6.903 0.906 1.00 0.00 C ATOM 1026 O VAL A 574 -18.398 -7.659 1.615 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.092 -8.336 0.587 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -21.878 -7.522 1.605 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.026 -8.974 -0.430 1.00 0.00 C ATOM 0 H VAL A 574 -19.037 -9.144 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 574 -20.563 -6.641 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 574 -20.571 -9.131 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -22.613 -8.162 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.196 -7.118 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.389 -6.702 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -22.761 -9.590 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -22.538 -8.194 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -21.449 -9.596 -1.114 1.00 0.00 H new ATOM 1039 N VAL A 575 -18.995 -5.581 0.980 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.090 -4.900 1.896 1.00 0.00 C ATOM 1041 C VAL A 575 -18.723 -3.593 2.361 1.00 0.00 C ATOM 1042 O VAL A 575 -18.982 -2.702 1.553 1.00 0.00 O ATOM 1043 CB VAL A 575 -16.723 -4.576 1.241 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -15.772 -3.995 2.266 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.097 -5.799 0.590 1.00 0.00 C ATOM 0 H VAL A 575 -19.560 -4.952 0.409 1.00 0.00 H new ATOM 0 HA VAL A 575 -17.916 -5.573 2.735 1.00 0.00 H new ATOM 0 HB VAL A 575 -16.907 -3.841 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -14.816 -3.773 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.195 -3.078 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -15.619 -4.715 3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.141 -5.525 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -15.938 -6.571 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -16.763 -6.180 -0.185 1.00 0.00 H new ATOM 1055 N HIS A 576 -18.978 -3.481 3.654 1.00 0.00 N ATOM 1056 CA HIS A 576 -19.623 -2.291 4.200 1.00 0.00 C ATOM 1057 C HIS A 576 -18.688 -1.547 5.151 1.00 0.00 C ATOM 1058 O HIS A 576 -18.778 -0.329 5.303 1.00 0.00 O ATOM 1059 CB HIS A 576 -20.926 -2.666 4.923 1.00 0.00 C ATOM 1060 CG HIS A 576 -20.737 -3.560 6.116 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -20.705 -3.052 7.394 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -20.575 -4.904 6.173 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -20.525 -4.090 8.192 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -20.440 -5.231 7.498 1.00 0.00 N ATOM 0 H HIS A 576 -18.750 -4.195 4.346 1.00 0.00 H new ATOM 0 HA HIS A 576 -19.862 -1.629 3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.425 -1.752 5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.591 -3.160 4.215 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -20.556 -5.586 5.336 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -20.455 -4.026 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -20.301 -6.166 7.881 1.00 0.00 H new ATOM 1072 N SER A 577 -17.784 -2.288 5.777 1.00 0.00 N ATOM 1073 CA SER A 577 -16.879 -1.723 6.766 1.00 0.00 C ATOM 1074 C SER A 577 -15.847 -0.808 6.113 1.00 0.00 C ATOM 1075 O SER A 577 -15.527 0.259 6.636 1.00 0.00 O ATOM 1076 CB SER A 577 -16.184 -2.854 7.520 1.00 0.00 C ATOM 1077 OG SER A 577 -17.135 -3.756 8.064 1.00 0.00 O ATOM 0 H SER A 577 -17.658 -3.287 5.616 1.00 0.00 H new ATOM 0 HA SER A 577 -17.459 -1.120 7.465 1.00 0.00 H new ATOM 0 HB2 SER A 577 -15.514 -3.388 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 577 -15.570 -2.440 8.320 1.00 0.00 H new ATOM 0 HG SER A 577 -16.669 -4.474 8.542 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.338 -1.228 4.967 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.352 -0.435 4.252 1.00 0.00 C ATOM 1085 C VAL A 578 -14.812 -0.081 2.844 1.00 0.00 C ATOM 1086 O VAL A 578 -15.369 -0.909 2.125 1.00 0.00 O ATOM 1087 CB VAL A 578 -12.970 -1.130 4.211 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.314 -1.076 5.579 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.084 -2.576 3.754 1.00 0.00 C ATOM 0 H VAL A 578 -15.589 -2.107 4.514 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.245 0.494 4.812 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.353 -0.594 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.343 -1.568 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.181 -0.036 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -12.947 -1.585 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.094 -3.032 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -13.725 -3.126 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.515 -2.608 2.753 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.608 1.175 2.478 1.00 0.00 N ATOM 1100 CA ARG A 579 -14.944 1.669 1.154 1.00 0.00 C ATOM 1101 C ARG A 579 -13.652 2.046 0.450 1.00 0.00 C ATOM 1102 O ARG A 579 -12.589 1.976 1.063 1.00 0.00 O ATOM 1103 CB ARG A 579 -15.866 2.886 1.246 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.009 2.718 2.235 1.00 0.00 C ATOM 1105 CD ARG A 579 -17.929 1.573 1.844 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.653 1.854 0.602 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.088 0.923 -0.248 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -18.858 -0.362 -0.014 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -19.761 1.285 -1.333 1.00 0.00 N ATOM 0 H ARG A 579 -14.204 1.881 3.093 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.471 0.895 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.276 3.756 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.280 3.092 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.605 2.536 3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.583 3.643 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.344 0.661 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.643 1.390 2.647 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.837 2.830 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -18.345 -0.644 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -19.194 -1.068 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -19.944 2.272 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.096 0.576 -1.986 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.726 2.448 -0.816 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.531 2.777 -1.591 1.00 0.00 C ATOM 1125 C ARG A 580 -11.649 3.805 -0.878 1.00 0.00 C ATOM 1126 O ARG A 580 -10.429 3.771 -1.020 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.884 3.277 -2.995 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.736 4.531 -3.030 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.213 4.198 -3.117 1.00 0.00 C ATOM 1130 NE ARG A 580 -16.039 5.394 -3.262 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.239 5.401 -3.837 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.757 4.274 -4.311 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -17.923 6.533 -3.926 1.00 0.00 N ATOM 0 H ARG A 580 -14.602 2.554 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 580 -11.965 1.850 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -11.960 3.468 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.409 2.483 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.548 5.125 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.449 5.143 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.385 3.534 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.515 3.656 -2.221 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.674 6.276 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.235 3.401 -4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.677 4.281 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.529 7.397 -3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -18.843 6.540 -4.367 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.256 4.718 -0.112 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.521 5.728 0.650 1.00 0.00 C ATOM 1149 C GLU A 581 -10.578 5.137 1.697 1.00 0.00 C ATOM 1150 O GLU A 581 -9.612 5.784 2.101 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.514 6.674 1.328 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.445 5.982 2.314 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.626 6.847 2.703 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.616 6.890 1.943 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.571 7.495 3.764 1.00 0.00 O ATOM 0 H GLU A 581 -13.269 4.776 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.895 6.266 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.960 7.453 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.112 7.168 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.808 5.053 1.875 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.885 5.713 3.210 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.857 3.923 2.136 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.043 3.272 3.155 1.00 0.00 C ATOM 1164 C HIS A 582 -8.782 2.681 2.537 1.00 0.00 C ATOM 1165 O HIS A 582 -7.855 2.276 3.238 1.00 0.00 O ATOM 1166 CB HIS A 582 -10.847 2.195 3.884 1.00 0.00 C ATOM 1167 CG HIS A 582 -11.928 2.749 4.764 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.257 2.560 4.475 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -11.824 3.460 5.914 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -13.928 3.151 5.446 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.103 3.711 6.341 1.00 0.00 N ATOM 0 H HIS A 582 -11.643 3.364 1.804 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.744 4.024 3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.295 1.527 3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.169 1.594 4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -10.910 3.769 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.006 3.180 5.511 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.374 4.225 7.179 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.756 2.641 1.217 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.637 2.064 0.494 1.00 0.00 C ATOM 1181 C PHE A 583 -6.814 3.171 -0.151 1.00 0.00 C ATOM 1182 O PHE A 583 -7.351 4.023 -0.865 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.132 1.073 -0.563 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.049 0.018 -0.009 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.546 -1.059 0.695 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.413 0.106 -0.196 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.388 -2.027 1.203 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.264 -0.859 0.307 1.00 0.00 C ATOM 1189 CZ PHE A 583 -10.749 -1.928 1.008 1.00 0.00 C ATOM 0 H PHE A 583 -9.501 3.003 0.622 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.006 1.520 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.653 1.621 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.273 0.589 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.481 -1.144 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -10.822 0.942 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -8.981 -2.862 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.330 -0.776 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.410 -2.686 1.403 1.00 0.00 H new ATOM 1199 N SER A 584 -5.514 3.168 0.106 1.00 0.00 N ATOM 1200 CA SER A 584 -4.631 4.206 -0.396 1.00 0.00 C ATOM 1201 C SER A 584 -3.363 3.565 -0.942 1.00 0.00 C ATOM 1202 O SER A 584 -2.767 2.703 -0.290 1.00 0.00 O ATOM 1203 CB SER A 584 -4.287 5.200 0.717 1.00 0.00 C ATOM 1204 OG SER A 584 -3.478 6.260 0.231 1.00 0.00 O ATOM 0 H SER A 584 -5.047 2.453 0.663 1.00 0.00 H new ATOM 0 HA SER A 584 -5.134 4.751 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.205 5.606 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 584 -3.766 4.682 1.522 1.00 0.00 H new ATOM 0 HG SER A 584 -3.276 6.879 0.963 1.00 0.00 H new ATOM 1210 N PHE A 585 -2.945 3.983 -2.125 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.803 3.367 -2.780 1.00 0.00 C ATOM 1212 C PHE A 585 -0.564 4.250 -2.724 1.00 0.00 C ATOM 1213 O PHE A 585 0.518 3.840 -3.148 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.147 3.014 -4.223 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.026 1.806 -4.330 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.519 0.560 -4.025 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.351 1.908 -4.724 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.303 -0.565 -4.109 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.145 0.779 -4.812 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.616 -0.460 -4.503 1.00 0.00 C ATOM 0 H PHE A 585 -3.377 4.743 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.569 2.452 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.645 3.863 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.226 2.838 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.489 0.467 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.766 2.876 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -2.888 -1.532 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.176 0.865 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.233 -1.344 -4.571 1.00 0.00 H new ATOM 1230 N SER A 586 -0.722 5.457 -2.210 1.00 0.00 N ATOM 1231 CA SER A 586 0.408 6.344 -1.993 1.00 0.00 C ATOM 1232 C SER A 586 1.401 5.728 -1.000 1.00 0.00 C ATOM 1233 O SER A 586 1.053 5.449 0.152 1.00 0.00 O ATOM 1234 CB SER A 586 -0.093 7.692 -1.477 1.00 0.00 C ATOM 1235 OG SER A 586 -0.992 8.285 -2.402 1.00 0.00 O ATOM 0 H SER A 586 -1.624 5.846 -1.935 1.00 0.00 H new ATOM 0 HA SER A 586 0.927 6.491 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.590 7.557 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.753 8.358 -1.307 1.00 0.00 H new ATOM 0 HG SER A 586 -1.302 9.146 -2.051 1.00 0.00 H new ATOM 1241 N PRO A 587 2.656 5.501 -1.437 1.00 0.00 N ATOM 1242 CA PRO A 587 3.700 4.896 -0.598 1.00 0.00 C ATOM 1243 C PRO A 587 4.255 5.866 0.438 1.00 0.00 C ATOM 1244 O PRO A 587 5.256 5.586 1.090 1.00 0.00 O ATOM 1245 CB PRO A 587 4.781 4.528 -1.609 1.00 0.00 C ATOM 1246 CG PRO A 587 4.644 5.563 -2.666 1.00 0.00 C ATOM 1247 CD PRO A 587 3.163 5.802 -2.794 1.00 0.00 C ATOM 0 HA PRO A 587 3.321 4.053 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.773 4.545 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.630 3.525 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 587 5.168 6.478 -2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 587 5.071 5.222 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.944 6.829 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.713 5.153 -3.545 1.00 0.00 H new ATOM 1255 N ARG A 588 3.595 7.004 0.590 1.00 0.00 N ATOM 1256 CA ARG A 588 3.981 7.987 1.583 1.00 0.00 C ATOM 1257 C ARG A 588 3.070 7.860 2.793 1.00 0.00 C ATOM 1258 O ARG A 588 3.168 8.617 3.758 1.00 0.00 O ATOM 1259 CB ARG A 588 3.905 9.395 0.995 1.00 0.00 C ATOM 1260 CG ARG A 588 4.552 9.510 -0.377 1.00 0.00 C ATOM 1261 CD ARG A 588 4.740 10.959 -0.786 1.00 0.00 C ATOM 1262 NE ARG A 588 3.514 11.738 -0.638 1.00 0.00 N ATOM 1263 CZ ARG A 588 3.489 13.064 -0.543 1.00 0.00 C ATOM 1264 NH1 ARG A 588 4.614 13.762 -0.652 1.00 0.00 N ATOM 1265 NH2 ARG A 588 2.339 13.692 -0.349 1.00 0.00 N ATOM 0 H ARG A 588 2.783 7.268 0.032 1.00 0.00 H new ATOM 0 HA ARG A 588 5.011 7.807 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.860 9.695 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 588 4.390 10.093 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.518 9.006 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.933 9.000 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 588 5.528 11.406 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 588 5.072 11.002 -1.823 1.00 0.00 H new ATOM 0 HE ARG A 588 2.626 11.237 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 588 5.500 13.281 -0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 588 4.592 14.779 -0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 588 1.473 13.158 -0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 588 2.319 14.709 -0.276 1.00 0.00 H new ATOM 1279 N MET A 589 2.180 6.883 2.714 1.00 0.00 N ATOM 1280 CA MET A 589 1.276 6.574 3.806 1.00 0.00 C ATOM 1281 C MET A 589 1.847 5.442 4.654 1.00 0.00 C ATOM 1282 O MET A 589 1.823 4.278 4.246 1.00 0.00 O ATOM 1283 CB MET A 589 -0.101 6.188 3.258 1.00 0.00 C ATOM 1284 CG MET A 589 -1.137 5.980 4.335 1.00 0.00 C ATOM 1285 SD MET A 589 -1.410 7.448 5.343 1.00 0.00 S ATOM 1286 CE MET A 589 -2.090 8.581 4.135 1.00 0.00 C ATOM 0 H MET A 589 2.066 6.286 1.895 1.00 0.00 H new ATOM 0 HA MET A 589 1.165 7.458 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.445 6.968 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.008 5.273 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.079 5.683 3.873 1.00 0.00 H new ATOM 0 HG3 MET A 589 -0.824 5.157 4.978 1.00 0.00 H new ATOM 0 HE1 MET A 589 -2.838 9.215 4.611 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.292 9.203 3.730 1.00 0.00 H new ATOM 0 HE3 MET A 589 -2.555 8.016 3.327 1.00 0.00 H new ATOM 1296 N PRO A 590 2.373 5.769 5.841 1.00 0.00 N ATOM 1297 CA PRO A 590 3.037 4.800 6.715 1.00 0.00 C ATOM 1298 C PRO A 590 2.052 3.986 7.545 1.00 0.00 C ATOM 1299 O PRO A 590 2.008 4.104 8.768 1.00 0.00 O ATOM 1300 CB PRO A 590 3.886 5.694 7.616 1.00 0.00 C ATOM 1301 CG PRO A 590 3.111 6.963 7.726 1.00 0.00 C ATOM 1302 CD PRO A 590 2.358 7.122 6.432 1.00 0.00 C ATOM 0 HA PRO A 590 3.604 4.057 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 590 4.041 5.238 8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.872 5.868 7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 590 2.424 6.925 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.776 7.810 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 590 1.340 7.471 6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.839 7.849 5.777 1.00 0.00 H new ATOM 1310 N VAL A 591 1.266 3.158 6.878 1.00 0.00 N ATOM 1311 CA VAL A 591 0.208 2.438 7.562 1.00 0.00 C ATOM 1312 C VAL A 591 0.516 0.963 7.795 1.00 0.00 C ATOM 1313 O VAL A 591 0.777 0.578 8.934 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.135 2.618 6.841 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.193 1.707 7.431 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.555 4.064 6.962 1.00 0.00 C ATOM 0 H VAL A 591 1.339 2.970 5.878 1.00 0.00 H new ATOM 0 HA VAL A 591 0.137 2.884 8.554 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.022 2.351 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.135 1.854 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -1.877 0.669 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.328 1.943 8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.509 4.210 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.661 4.325 8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.799 4.702 6.504 1.00 0.00 H new ATOM 1326 N GLY A 592 0.497 0.121 6.761 1.00 0.00 N ATOM 1327 CA GLY A 592 0.617 -1.300 6.996 1.00 0.00 C ATOM 1328 C GLY A 592 2.050 -1.750 7.049 1.00 0.00 C ATOM 1329 O GLY A 592 2.749 -1.511 8.032 1.00 0.00 O ATOM 0 H GLY A 592 0.402 0.396 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 592 0.124 -1.554 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 592 0.097 -1.842 6.206 1.00 0.00 H new ATOM 1333 N ASP A 593 2.497 -2.382 5.983 1.00 0.00 N ATOM 1334 CA ASP A 593 3.823 -2.942 5.948 1.00 0.00 C ATOM 1335 C ASP A 593 4.644 -2.301 4.842 1.00 0.00 C ATOM 1336 O ASP A 593 4.149 -2.035 3.756 1.00 0.00 O ATOM 1337 CB ASP A 593 3.754 -4.460 5.764 1.00 0.00 C ATOM 1338 CG ASP A 593 3.100 -5.166 6.939 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.851 -5.176 7.020 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.827 -5.722 7.791 1.00 0.00 O ATOM 0 H ASP A 593 1.956 -2.518 5.129 1.00 0.00 H new ATOM 0 HA ASP A 593 4.314 -2.733 6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 593 3.197 -4.686 4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.762 -4.851 5.626 1.00 0.00 H new ATOM 1345 N PHE A 594 5.885 -2.034 5.167 1.00 0.00 N ATOM 1346 CA PHE A 594 6.834 -1.437 4.228 1.00 0.00 C ATOM 1347 C PHE A 594 8.040 -2.333 4.020 1.00 0.00 C ATOM 1348 O PHE A 594 8.614 -2.842 4.979 1.00 0.00 O ATOM 1349 CB PHE A 594 7.286 -0.061 4.716 1.00 0.00 C ATOM 1350 CG PHE A 594 6.383 1.064 4.294 1.00 0.00 C ATOM 1351 CD1 PHE A 594 5.090 1.164 4.782 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.836 2.027 3.407 1.00 0.00 C ATOM 1353 CE1 PHE A 594 4.268 2.202 4.393 1.00 0.00 C ATOM 1354 CE2 PHE A 594 6.018 3.069 3.015 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.732 3.157 3.508 1.00 0.00 C ATOM 0 H PHE A 594 6.277 -2.221 6.090 1.00 0.00 H new ATOM 0 HA PHE A 594 6.322 -1.323 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 594 7.348 -0.075 5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 594 8.291 0.134 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.721 0.422 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.841 1.962 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 594 3.262 2.268 4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.384 3.814 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 594 4.090 3.970 3.203 1.00 0.00 H new ATOM 1365 N PHE A 595 8.408 -2.541 2.762 1.00 0.00 N ATOM 1366 CA PHE A 595 9.561 -3.363 2.429 1.00 0.00 C ATOM 1367 C PHE A 595 10.473 -2.633 1.452 1.00 0.00 C ATOM 1368 O PHE A 595 10.028 -1.780 0.685 1.00 0.00 O ATOM 1369 CB PHE A 595 9.105 -4.690 1.809 1.00 0.00 C ATOM 1370 CG PHE A 595 7.987 -5.346 2.565 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.672 -5.013 2.291 1.00 0.00 C ATOM 1372 CD2 PHE A 595 8.247 -6.275 3.558 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.639 -5.590 2.992 1.00 0.00 C ATOM 1374 CE2 PHE A 595 7.211 -6.861 4.262 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.905 -6.513 3.976 1.00 0.00 C ATOM 0 H PHE A 595 7.922 -2.150 1.955 1.00 0.00 H new ATOM 0 HA PHE A 595 10.113 -3.565 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.785 -4.512 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.954 -5.373 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.454 -4.291 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 595 9.268 -6.544 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.618 -5.318 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 595 7.422 -7.588 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 595 5.093 -6.966 4.525 1.00 0.00 H new ATOM 1385 N GLU A 596 11.741 -2.988 1.485 1.00 0.00 N ATOM 1386 CA GLU A 596 12.727 -2.407 0.592 1.00 0.00 C ATOM 1387 C GLU A 596 13.571 -3.519 -0.015 1.00 0.00 C ATOM 1388 O GLU A 596 14.114 -4.355 0.712 1.00 0.00 O ATOM 1389 CB GLU A 596 13.612 -1.426 1.363 1.00 0.00 C ATOM 1390 CG GLU A 596 14.754 -0.847 0.543 1.00 0.00 C ATOM 1391 CD GLU A 596 15.630 0.096 1.340 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.491 -0.383 2.112 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.471 1.322 1.203 1.00 0.00 O ATOM 0 H GLU A 596 12.118 -3.684 2.128 1.00 0.00 H new ATOM 0 HA GLU A 596 12.223 -1.864 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.993 -0.609 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 596 14.025 -1.933 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.365 -1.661 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.345 -0.316 -0.317 1.00 0.00 H new ATOM 1400 N GLU A 597 13.662 -3.556 -1.337 1.00 0.00 N ATOM 1401 CA GLU A 597 14.388 -4.606 -2.034 1.00 0.00 C ATOM 1402 C GLU A 597 15.889 -4.383 -1.898 1.00 0.00 C ATOM 1403 O GLU A 597 16.412 -3.323 -2.256 1.00 0.00 O ATOM 1404 CB GLU A 597 13.983 -4.626 -3.512 1.00 0.00 C ATOM 1405 CG GLU A 597 14.829 -5.546 -4.375 1.00 0.00 C ATOM 1406 CD GLU A 597 14.381 -5.559 -5.820 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.785 -4.648 -6.578 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.628 -6.478 -6.208 1.00 0.00 O ATOM 0 H GLU A 597 13.237 -2.863 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 597 14.138 -5.569 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.940 -4.933 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 597 14.047 -3.613 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.871 -5.230 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.783 -6.559 -3.975 1.00 0.00 H new ATOM 1415 N ARG A 598 16.572 -5.390 -1.382 1.00 0.00 N ATOM 1416 CA ARG A 598 17.981 -5.287 -1.053 1.00 0.00 C ATOM 1417 C ARG A 598 18.744 -6.488 -1.599 1.00 0.00 C ATOM 1418 O ARG A 598 18.158 -7.551 -1.819 1.00 0.00 O ATOM 1419 CB ARG A 598 18.117 -5.206 0.473 1.00 0.00 C ATOM 1420 CG ARG A 598 19.539 -5.285 1.002 1.00 0.00 C ATOM 1421 CD ARG A 598 19.561 -5.242 2.519 1.00 0.00 C ATOM 1422 NE ARG A 598 20.916 -5.334 3.058 1.00 0.00 N ATOM 1423 CZ ARG A 598 21.233 -5.057 4.321 1.00 0.00 C ATOM 1424 NH1 ARG A 598 20.296 -4.659 5.171 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.488 -5.176 4.735 1.00 0.00 N ATOM 0 H ARG A 598 16.164 -6.303 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 598 18.405 -4.392 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.672 -4.271 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.536 -6.015 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 598 20.009 -6.205 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 598 20.125 -4.457 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 598 19.099 -4.316 2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.960 -6.062 2.912 1.00 0.00 H new ATOM 0 HE ARG A 598 21.663 -5.628 2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 598 19.330 -4.565 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.541 -4.447 6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 598 23.213 -5.480 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.728 -4.963 5.703 1.00 0.00 H new ATOM 1439 N ASP A 599 20.045 -6.324 -1.806 1.00 0.00 N ATOM 1440 CA ASP A 599 20.900 -7.423 -2.221 1.00 0.00 C ATOM 1441 C ASP A 599 21.683 -7.975 -1.048 1.00 0.00 C ATOM 1442 O ASP A 599 22.233 -7.229 -0.238 1.00 0.00 O ATOM 1443 CB ASP A 599 21.855 -6.988 -3.339 1.00 0.00 C ATOM 1444 CG ASP A 599 22.794 -5.870 -2.926 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.328 -4.716 -2.795 1.00 0.00 O ATOM 1446 OD2 ASP A 599 24.001 -6.133 -2.744 1.00 0.00 O ATOM 0 H ASP A 599 20.531 -5.434 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 599 20.256 -8.213 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.444 -7.848 -3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.271 -6.663 -4.200 1.00 0.00 H new ATOM 1451 N THR A 600 21.690 -9.288 -0.958 1.00 0.00 N ATOM 1452 CA THR A 600 22.396 -9.999 0.090 1.00 0.00 C ATOM 1453 C THR A 600 23.289 -11.060 -0.533 1.00 0.00 C ATOM 1454 O THR A 600 23.126 -11.394 -1.710 1.00 0.00 O ATOM 1455 CB THR A 600 21.393 -10.677 1.043 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.814 -11.813 0.399 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.287 -9.717 1.422 1.00 0.00 C ATOM 0 H THR A 600 21.203 -9.898 -1.614 1.00 0.00 H new ATOM 0 HA THR A 600 23.000 -9.288 0.654 1.00 0.00 H new ATOM 0 HB THR A 600 21.926 -10.984 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.363 -11.528 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.589 -10.214 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.715 -8.847 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.759 -9.397 0.524 1.00 0.00 H new ATOM 1465 N PRO A 601 24.243 -11.601 0.234 1.00 0.00 N ATOM 1466 CA PRO A 601 25.121 -12.678 -0.234 1.00 0.00 C ATOM 1467 C PRO A 601 24.352 -13.953 -0.598 1.00 0.00 C ATOM 1468 O PRO A 601 24.910 -14.874 -1.195 1.00 0.00 O ATOM 1469 CB PRO A 601 26.061 -12.919 0.951 1.00 0.00 C ATOM 1470 CG PRO A 601 25.350 -12.355 2.130 1.00 0.00 C ATOM 1471 CD PRO A 601 24.566 -11.190 1.608 1.00 0.00 C ATOM 0 HA PRO A 601 25.643 -12.405 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.263 -13.982 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 601 27.022 -12.428 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.694 -13.097 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 601 26.055 -12.040 2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.667 -11.011 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 601 25.149 -10.269 1.628 1.00 0.00 H new ATOM 1479 N GLU A 602 23.070 -14.002 -0.244 1.00 0.00 N ATOM 1480 CA GLU A 602 22.224 -15.131 -0.612 1.00 0.00 C ATOM 1481 C GLU A 602 21.336 -14.762 -1.802 1.00 0.00 C ATOM 1482 O GLU A 602 20.785 -15.633 -2.478 1.00 0.00 O ATOM 1483 CB GLU A 602 21.374 -15.584 0.582 1.00 0.00 C ATOM 1484 CG GLU A 602 20.196 -14.678 0.889 1.00 0.00 C ATOM 1485 CD GLU A 602 19.389 -15.151 2.078 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.688 -16.175 1.953 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.450 -14.498 3.143 1.00 0.00 O ATOM 0 H GLU A 602 22.597 -13.276 0.295 1.00 0.00 H new ATOM 0 HA GLU A 602 22.864 -15.963 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 602 21.003 -16.590 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 602 22.011 -15.644 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.560 -13.669 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.548 -14.623 0.014 1.00 0.00 H new ATOM 1494 N GLY A 603 21.211 -13.465 -2.053 1.00 0.00 N ATOM 1495 CA GLY A 603 20.426 -13.015 -3.175 1.00 0.00 C ATOM 1496 C GLY A 603 19.594 -11.793 -2.879 1.00 0.00 C ATOM 1497 O GLY A 603 19.803 -11.105 -1.881 1.00 0.00 O ATOM 0 H GLY A 603 21.639 -12.723 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.092 -12.797 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.768 -13.823 -3.495 1.00 0.00 H new ATOM 1501 N LEU A 604 18.659 -11.520 -3.766 1.00 0.00 N ATOM 1502 CA LEU A 604 17.740 -10.408 -3.603 1.00 0.00 C ATOM 1503 C LEU A 604 16.545 -10.819 -2.763 1.00 0.00 C ATOM 1504 O LEU A 604 15.822 -11.761 -3.096 1.00 0.00 O ATOM 1505 CB LEU A 604 17.272 -9.892 -4.963 1.00 0.00 C ATOM 1506 CG LEU A 604 18.330 -9.136 -5.760 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.904 -8.988 -7.212 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.583 -7.769 -5.144 1.00 0.00 C ATOM 0 H LEU A 604 18.513 -12.060 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 604 18.269 -9.606 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.926 -10.738 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.414 -9.236 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 604 19.256 -9.710 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.672 -8.446 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.769 -9.975 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.965 -8.437 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.341 -7.243 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.658 -7.192 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.932 -7.891 -4.119 1.00 0.00 H new ATOM 1520 N GLN A 605 16.351 -10.106 -1.676 1.00 0.00 N ATOM 1521 CA GLN A 605 15.236 -10.370 -0.778 1.00 0.00 C ATOM 1522 C GLN A 605 14.603 -9.054 -0.366 1.00 0.00 C ATOM 1523 O GLN A 605 15.281 -8.023 -0.320 1.00 0.00 O ATOM 1524 CB GLN A 605 15.682 -11.150 0.448 1.00 0.00 C ATOM 1525 CG GLN A 605 16.752 -10.453 1.253 1.00 0.00 C ATOM 1526 CD GLN A 605 17.359 -11.370 2.279 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.939 -11.411 3.435 1.00 0.00 O ATOM 1528 NE2 GLN A 605 18.331 -12.142 1.845 1.00 0.00 N ATOM 0 H GLN A 605 16.951 -9.334 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 605 14.503 -10.981 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.818 -11.330 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.054 -12.125 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.531 -10.088 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.325 -9.582 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.645 -12.071 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.771 -12.812 2.476 1.00 0.00 H new ATOM 1537 N TRP A 606 13.308 -9.071 -0.093 1.00 0.00 N ATOM 1538 CA TRP A 606 12.604 -7.863 0.288 1.00 0.00 C ATOM 1539 C TRP A 606 12.711 -7.687 1.791 1.00 0.00 C ATOM 1540 O TRP A 606 12.131 -8.460 2.555 1.00 0.00 O ATOM 1541 CB TRP A 606 11.134 -7.934 -0.132 1.00 0.00 C ATOM 1542 CG TRP A 606 10.917 -7.597 -1.572 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.856 -8.457 -2.628 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.739 -6.289 -2.110 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.648 -7.757 -3.792 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.575 -6.422 -3.499 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.701 -5.017 -1.545 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.379 -5.323 -4.333 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.509 -3.933 -2.369 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.350 -4.087 -3.748 1.00 0.00 C ATOM 0 H TRP A 606 12.726 -9.908 -0.129 1.00 0.00 H new ATOM 0 HA TRP A 606 13.055 -7.010 -0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.756 -8.938 0.061 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.553 -7.250 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 606 10.956 -9.530 -2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.562 -8.166 -4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.820 -4.884 -0.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.255 -5.442 -5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.481 -2.942 -1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.201 -3.213 -4.365 1.00 0.00 H new ATOM 1561 N VAL A 607 13.460 -6.685 2.216 1.00 0.00 N ATOM 1562 CA VAL A 607 13.677 -6.460 3.632 1.00 0.00 C ATOM 1563 C VAL A 607 12.659 -5.476 4.179 1.00 0.00 C ATOM 1564 O VAL A 607 12.487 -4.378 3.655 1.00 0.00 O ATOM 1565 CB VAL A 607 15.101 -5.925 3.897 1.00 0.00 C ATOM 1566 CG1 VAL A 607 15.361 -5.786 5.388 1.00 0.00 C ATOM 1567 CG2 VAL A 607 16.141 -6.829 3.252 1.00 0.00 C ATOM 0 H VAL A 607 13.926 -6.017 1.602 1.00 0.00 H new ATOM 0 HA VAL A 607 13.561 -7.418 4.139 1.00 0.00 H new ATOM 0 HB VAL A 607 15.180 -4.935 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 607 16.371 -5.408 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.641 -5.091 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 607 15.258 -6.759 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 607 17.138 -6.435 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 607 16.058 -7.833 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.973 -6.867 2.176 1.00 0.00 H new ATOM 1577 N GLN A 608 11.991 -5.896 5.235 1.00 0.00 N ATOM 1578 CA GLN A 608 10.920 -5.126 5.835 1.00 0.00 C ATOM 1579 C GLN A 608 11.485 -3.938 6.602 1.00 0.00 C ATOM 1580 O GLN A 608 12.466 -4.060 7.341 1.00 0.00 O ATOM 1581 CB GLN A 608 10.076 -6.004 6.759 1.00 0.00 C ATOM 1582 CG GLN A 608 8.945 -5.246 7.432 1.00 0.00 C ATOM 1583 CD GLN A 608 7.882 -6.155 8.009 1.00 0.00 C ATOM 1584 OE1 GLN A 608 8.157 -7.281 8.430 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.657 -5.667 8.033 1.00 0.00 N ATOM 0 H GLN A 608 12.176 -6.783 5.702 1.00 0.00 H new ATOM 0 HA GLN A 608 10.279 -4.752 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.659 -6.831 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.719 -6.440 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 608 9.355 -4.625 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 608 8.485 -4.573 6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.474 -4.730 7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.892 -6.227 8.411 1.00 0.00 H new ATOM 1594 N LEU A 609 10.856 -2.793 6.411 1.00 0.00 N ATOM 1595 CA LEU A 609 11.274 -1.560 7.043 1.00 0.00 C ATOM 1596 C LEU A 609 10.421 -1.356 8.278 1.00 0.00 C ATOM 1597 O LEU A 609 9.241 -1.712 8.270 1.00 0.00 O ATOM 1598 CB LEU A 609 11.059 -0.381 6.087 1.00 0.00 C ATOM 1599 CG LEU A 609 11.791 -0.469 4.747 1.00 0.00 C ATOM 1600 CD1 LEU A 609 11.203 0.523 3.754 1.00 0.00 C ATOM 1601 CD2 LEU A 609 13.272 -0.203 4.942 1.00 0.00 C ATOM 0 H LEU A 609 10.038 -2.694 5.810 1.00 0.00 H new ATOM 0 HA LEU A 609 12.331 -1.615 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.991 -0.287 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.372 0.533 6.591 1.00 0.00 H new ATOM 0 HG LEU A 609 11.665 -1.475 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.735 0.447 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 609 10.148 0.299 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 609 11.304 1.535 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.783 -0.268 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.411 0.794 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.688 -0.944 5.625 1.00 0.00 H new ATOM 1613 N SER A 610 10.982 -0.812 9.341 1.00 0.00 N ATOM 1614 CA SER A 610 10.197 -0.450 10.497 1.00 0.00 C ATOM 1615 C SER A 610 9.489 0.857 10.235 1.00 0.00 C ATOM 1616 O SER A 610 9.796 1.552 9.263 1.00 0.00 O ATOM 1617 CB SER A 610 11.080 -0.316 11.734 1.00 0.00 C ATOM 1618 OG SER A 610 12.206 0.503 11.474 1.00 0.00 O ATOM 0 H SER A 610 11.979 -0.613 9.424 1.00 0.00 H new ATOM 0 HA SER A 610 9.465 -1.237 10.680 1.00 0.00 H new ATOM 0 HB2 SER A 610 10.500 0.108 12.554 1.00 0.00 H new ATOM 0 HB3 SER A 610 11.412 -1.303 12.056 1.00 0.00 H new ATOM 0 HG SER A 610 12.753 0.573 12.284 1.00 0.00 H new ATOM 1624 N ALA A 611 8.555 1.191 11.102 1.00 0.00 N ATOM 1625 CA ALA A 611 7.844 2.448 11.024 1.00 0.00 C ATOM 1626 C ALA A 611 8.813 3.622 10.940 1.00 0.00 C ATOM 1627 O ALA A 611 8.536 4.618 10.278 1.00 0.00 O ATOM 1628 CB ALA A 611 6.947 2.590 12.235 1.00 0.00 C ATOM 0 H ALA A 611 8.268 0.597 11.880 1.00 0.00 H new ATOM 0 HA ALA A 611 7.238 2.454 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.409 3.536 12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 611 6.232 1.767 12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.553 2.569 13.141 1.00 0.00 H new ATOM 1634 N GLU A 612 9.948 3.493 11.616 1.00 0.00 N ATOM 1635 CA GLU A 612 10.936 4.559 11.667 1.00 0.00 C ATOM 1636 C GLU A 612 11.756 4.621 10.374 1.00 0.00 C ATOM 1637 O GLU A 612 12.222 5.689 9.981 1.00 0.00 O ATOM 1638 CB GLU A 612 11.859 4.357 12.868 1.00 0.00 C ATOM 1639 CG GLU A 612 11.116 4.270 14.192 1.00 0.00 C ATOM 1640 CD GLU A 612 10.273 5.496 14.469 1.00 0.00 C ATOM 1641 OE1 GLU A 612 9.090 5.514 14.070 1.00 0.00 O ATOM 1642 OE2 GLU A 612 10.789 6.445 15.091 1.00 0.00 O ATOM 0 H GLU A 612 10.206 2.656 12.138 1.00 0.00 H new ATOM 0 HA GLU A 612 10.408 5.506 11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.437 3.444 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.571 5.181 12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.476 3.387 14.188 1.00 0.00 H new ATOM 0 HG3 GLU A 612 11.836 4.138 15.000 1.00 0.00 H new ATOM 1649 N GLU A 613 11.920 3.480 9.710 1.00 0.00 N ATOM 1650 CA GLU A 613 12.658 3.425 8.451 1.00 0.00 C ATOM 1651 C GLU A 613 11.790 3.913 7.301 1.00 0.00 C ATOM 1652 O GLU A 613 12.293 4.439 6.304 1.00 0.00 O ATOM 1653 CB GLU A 613 13.105 1.996 8.164 1.00 0.00 C ATOM 1654 CG GLU A 613 14.129 1.459 9.147 1.00 0.00 C ATOM 1655 CD GLU A 613 15.495 2.080 8.958 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.766 3.139 9.561 1.00 0.00 O ATOM 1657 OE2 GLU A 613 16.304 1.514 8.194 1.00 0.00 O ATOM 0 H GLU A 613 11.552 2.581 10.022 1.00 0.00 H new ATOM 0 HA GLU A 613 13.531 4.071 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 613 12.231 1.344 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.524 1.953 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.785 1.648 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 613 14.206 0.378 9.032 1.00 0.00 H new ATOM 1664 N ILE A 614 10.487 3.720 7.459 1.00 0.00 N ATOM 1665 CA ILE A 614 9.498 4.081 6.446 1.00 0.00 C ATOM 1666 C ILE A 614 9.696 5.501 5.879 1.00 0.00 C ATOM 1667 O ILE A 614 9.899 5.654 4.674 1.00 0.00 O ATOM 1668 CB ILE A 614 8.070 3.951 7.026 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.697 2.480 7.215 1.00 0.00 C ATOM 1670 CG2 ILE A 614 7.060 4.661 6.147 1.00 0.00 C ATOM 1671 CD1 ILE A 614 6.302 2.270 7.768 1.00 0.00 C ATOM 0 H ILE A 614 10.082 3.306 8.298 1.00 0.00 H new ATOM 0 HA ILE A 614 9.637 3.385 5.619 1.00 0.00 H new ATOM 0 HB ILE A 614 8.055 4.432 8.004 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.779 1.968 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.418 2.015 7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 614 6.064 4.554 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 614 7.315 5.719 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 614 7.073 4.222 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 614 6.110 1.202 7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 614 6.220 2.752 8.742 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.571 2.704 7.086 1.00 0.00 H new ATOM 1683 N PRO A 615 9.670 6.551 6.728 1.00 0.00 N ATOM 1684 CA PRO A 615 9.755 7.945 6.271 1.00 0.00 C ATOM 1685 C PRO A 615 11.046 8.249 5.526 1.00 0.00 C ATOM 1686 O PRO A 615 11.058 9.072 4.611 1.00 0.00 O ATOM 1687 CB PRO A 615 9.681 8.764 7.562 1.00 0.00 C ATOM 1688 CG PRO A 615 10.039 7.807 8.639 1.00 0.00 C ATOM 1689 CD PRO A 615 9.537 6.478 8.188 1.00 0.00 C ATOM 0 HA PRO A 615 8.961 8.174 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.372 9.607 7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.683 9.175 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 615 11.117 7.784 8.798 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.583 8.096 9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 615 10.126 5.661 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.503 6.313 8.491 1.00 0.00 H new ATOM 1697 N SER A 616 12.125 7.568 5.893 1.00 0.00 N ATOM 1698 CA SER A 616 13.412 7.788 5.249 1.00 0.00 C ATOM 1699 C SER A 616 13.342 7.334 3.795 1.00 0.00 C ATOM 1700 O SER A 616 13.875 7.988 2.896 1.00 0.00 O ATOM 1701 CB SER A 616 14.517 7.033 5.993 1.00 0.00 C ATOM 1702 OG SER A 616 15.797 7.332 5.460 1.00 0.00 O ATOM 0 H SER A 616 12.134 6.862 6.630 1.00 0.00 H new ATOM 0 HA SER A 616 13.647 8.852 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 616 14.491 7.296 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.335 5.960 5.927 1.00 0.00 H new ATOM 0 HG SER A 616 16.482 6.837 5.956 1.00 0.00 H new ATOM 1708 N ARG A 617 12.649 6.225 3.569 1.00 0.00 N ATOM 1709 CA ARG A 617 12.419 5.720 2.226 1.00 0.00 C ATOM 1710 C ARG A 617 11.410 6.587 1.484 1.00 0.00 C ATOM 1711 O ARG A 617 11.569 6.853 0.290 1.00 0.00 O ATOM 1712 CB ARG A 617 11.954 4.266 2.270 1.00 0.00 C ATOM 1713 CG ARG A 617 13.093 3.260 2.297 1.00 0.00 C ATOM 1714 CD ARG A 617 13.975 3.419 3.527 1.00 0.00 C ATOM 1715 NE ARG A 617 15.055 2.440 3.535 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.788 2.129 4.602 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.611 2.768 5.754 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.707 1.175 4.511 1.00 0.00 N ATOM 0 H ARG A 617 12.234 5.656 4.307 1.00 0.00 H new ATOM 0 HA ARG A 617 13.363 5.761 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 617 11.331 4.120 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 617 11.327 4.068 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.683 2.250 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.700 3.378 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.393 4.425 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 617 13.371 3.305 4.427 1.00 0.00 H new ATOM 0 HE ARG A 617 15.264 1.959 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.909 3.504 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 617 16.178 2.522 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.848 0.685 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 617 17.272 0.932 5.325 1.00 0.00 H new ATOM 1732 N ILE A 618 10.381 7.034 2.201 1.00 0.00 N ATOM 1733 CA ILE A 618 9.360 7.902 1.626 1.00 0.00 C ATOM 1734 C ILE A 618 9.985 9.163 1.039 1.00 0.00 C ATOM 1735 O ILE A 618 9.571 9.632 -0.011 1.00 0.00 O ATOM 1736 CB ILE A 618 8.298 8.312 2.670 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.536 7.085 3.173 1.00 0.00 C ATOM 1738 CG2 ILE A 618 7.335 9.334 2.084 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.466 7.417 4.193 1.00 0.00 C ATOM 0 H ILE A 618 10.234 6.807 3.185 1.00 0.00 H new ATOM 0 HA ILE A 618 8.873 7.329 0.837 1.00 0.00 H new ATOM 0 HB ILE A 618 8.811 8.770 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 618 7.074 6.580 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 618 8.243 6.383 3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.595 9.609 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.889 10.222 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.831 8.904 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.965 6.501 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.924 7.895 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.737 8.095 3.748 1.00 0.00 H new ATOM 1751 N GLN A 619 10.992 9.696 1.713 1.00 0.00 N ATOM 1752 CA GLN A 619 11.666 10.906 1.258 1.00 0.00 C ATOM 1753 C GLN A 619 12.294 10.722 -0.121 1.00 0.00 C ATOM 1754 O GLN A 619 12.320 11.650 -0.924 1.00 0.00 O ATOM 1755 CB GLN A 619 12.713 11.342 2.275 1.00 0.00 C ATOM 1756 CG GLN A 619 12.098 11.777 3.590 1.00 0.00 C ATOM 1757 CD GLN A 619 11.293 13.055 3.465 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.820 14.155 3.625 1.00 0.00 O ATOM 1759 NE2 GLN A 619 10.007 12.919 3.190 1.00 0.00 N ATOM 0 H GLN A 619 11.363 9.309 2.581 1.00 0.00 H new ATOM 0 HA GLN A 619 10.915 11.690 1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 619 13.404 10.519 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 619 13.297 12.164 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.454 10.982 3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.889 11.921 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.608 11.989 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 619 9.414 13.744 3.103 1.00 0.00 H new ATOM 1768 N ALA A 620 12.800 9.532 -0.399 1.00 0.00 N ATOM 1769 CA ALA A 620 13.389 9.248 -1.700 1.00 0.00 C ATOM 1770 C ALA A 620 12.310 9.068 -2.768 1.00 0.00 C ATOM 1771 O ALA A 620 12.412 9.606 -3.873 1.00 0.00 O ATOM 1772 CB ALA A 620 14.259 8.004 -1.609 1.00 0.00 C ATOM 0 H ALA A 620 12.816 8.749 0.255 1.00 0.00 H new ATOM 0 HA ALA A 620 14.006 10.098 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.698 7.795 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 620 15.054 8.168 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.650 7.156 -1.296 1.00 0.00 H new ATOM 1778 N ILE A 621 11.273 8.319 -2.423 1.00 0.00 N ATOM 1779 CA ILE A 621 10.205 7.999 -3.368 1.00 0.00 C ATOM 1780 C ILE A 621 9.128 9.082 -3.416 1.00 0.00 C ATOM 1781 O ILE A 621 8.169 8.979 -4.183 1.00 0.00 O ATOM 1782 CB ILE A 621 9.536 6.655 -3.025 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.943 6.693 -1.617 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.536 5.518 -3.150 1.00 0.00 C ATOM 1785 CD1 ILE A 621 8.176 5.444 -1.258 1.00 0.00 C ATOM 0 H ILE A 621 11.145 7.919 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 621 10.682 7.935 -4.346 1.00 0.00 H new ATOM 0 HB ILE A 621 8.726 6.483 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.747 6.837 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.281 7.555 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 621 10.047 4.575 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.913 5.476 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.366 5.686 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.782 5.537 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.351 5.310 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.840 4.581 -1.311 1.00 0.00 H new