USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 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 639 MET CE :methyl 137:sc= -1.44 (180deg=-4.47!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 2.1: A 609 GLN : amide:sc= 1.48 K(o=2,f=-3.8!) USER MOD Set 2.2: A 614 THR OG1 : rot -120:sc= 0.567 USER MOD Single : A 592 HIS : no HD1:sc= -0.0921 K(o=-0.092,f=-0.73) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -130:sc= -0.328 USER MOD Single : A 597 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 601 SER OG : rot -26:sc= 1.08 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 145:sc= -0.0987 (180deg=-0.463) USER MOD Single : A 627 ASN : amide:sc= -0.0132 K(o=-0.013,f=-1.3!) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 172:sc= 0.732 (180deg=0.711) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 92:sc= 0.485 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot -110:sc= 0.00808! USER MOD Single : A 650 TYR OH : rot 30:sc= -0.303 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -0.432 K(o=-0.43,f=-1) USER MOD Single : A 662 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0431) USER MOD Single : B 536 SER OG : rot -34:sc= 0.0483 USER MOD Single : B 540 MET CE :methyl 172:sc= 0 (180deg=-0.0831) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -11:sc= 0.00993 USER MOD Single : B 548 GLN : amide:sc= 0.315 K(o=0.31,f=-3.2!) USER MOD Single : B 550 SER OG : rot -91:sc= 0.463 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.330 -5.779 2.609 1.00 25.00 N ATOM 73 CA GLY A 590 23.768 -6.601 3.686 1.00 25.00 C ATOM 74 C GLY A 590 22.253 -6.793 3.606 1.00 25.00 C ATOM 75 O GLY A 590 21.748 -7.875 3.924 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.248 -7.580 3.669 1.00 25.00 H new ATOM 0 HA3 GLY A 590 24.014 -6.142 4.644 1.00 25.00 H new ATOM 79 N TRP A 591 21.534 -5.748 3.164 1.00 25.00 N ATOM 80 CA TRP A 591 20.062 -5.771 3.093 1.00 25.00 C ATOM 81 C TRP A 591 19.540 -6.698 1.985 1.00 25.00 C ATOM 82 O TRP A 591 18.494 -7.327 2.143 1.00 25.00 O ATOM 83 CB TRP A 591 19.497 -4.338 2.932 1.00 25.00 C ATOM 84 CG TRP A 591 18.071 -4.214 2.419 1.00 25.00 C ATOM 85 CD1 TRP A 591 16.920 -4.114 3.153 1.00 25.00 C ATOM 86 CD2 TRP A 591 17.659 -4.210 1.041 1.00 25.00 C ATOM 87 NE1 TRP A 591 15.830 -4.031 2.322 1.00 25.00 N ATOM 88 CE2 TRP A 591 16.257 -4.091 1.022 1.00 25.00 C ATOM 89 CE3 TRP A 591 18.343 -4.291 -0.181 1.00 25.00 C ATOM 90 CZ2 TRP A 591 15.528 -4.051 -0.165 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.616 -4.252 -1.356 1.00 25.00 C ATOM 92 CH2 TRP A 591 16.221 -4.133 -1.340 1.00 25.00 C ATOM 0 H TRP A 591 21.950 -4.872 2.849 1.00 25.00 H new ATOM 0 HA TRP A 591 19.705 -6.181 4.038 1.00 25.00 H new ATOM 0 HB2 TRP A 591 19.554 -3.840 3.900 1.00 25.00 H new ATOM 0 HB3 TRP A 591 20.151 -3.790 2.253 1.00 25.00 H new ATOM 0 HD1 TRP A 591 16.875 -4.102 4.232 1.00 25.00 H new ATOM 0 HE1 TRP A 591 14.860 -3.940 2.624 1.00 25.00 H new ATOM 0 HE3 TRP A 591 19.419 -4.382 -0.203 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 14.452 -3.958 -0.157 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 18.133 -4.314 -2.302 1.00 25.00 H new ATOM 0 HH2 TRP A 591 15.682 -4.105 -2.275 1.00 25.00 H new ATOM 103 N HIS A 592 20.286 -6.787 0.880 1.00 25.00 N ATOM 104 CA HIS A 592 19.943 -7.686 -0.233 1.00 25.00 C ATOM 105 C HIS A 592 20.204 -9.164 0.135 1.00 25.00 C ATOM 106 O HIS A 592 19.738 -10.074 -0.560 1.00 25.00 O ATOM 107 CB HIS A 592 20.748 -7.290 -1.487 1.00 25.00 C ATOM 108 CG HIS A 592 20.314 -7.970 -2.757 1.00 25.00 C ATOM 109 ND1 HIS A 592 20.723 -9.238 -3.108 1.00 25.00 N ATOM 110 CD2 HIS A 592 19.505 -7.547 -3.760 1.00 25.00 C ATOM 111 CE1 HIS A 592 20.187 -9.568 -4.271 1.00 25.00 C ATOM 112 NE2 HIS A 592 19.445 -8.559 -4.686 1.00 25.00 N ATOM 0 H HIS A 592 21.137 -6.245 0.729 1.00 25.00 H new ATOM 0 HA HIS A 592 18.878 -7.584 -0.442 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.672 -6.211 -1.625 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.800 -7.515 -1.312 1.00 25.00 H new ATOM 0 HD2 HIS A 592 19.002 -6.593 -3.819 1.00 25.00 H new ATOM 0 HE1 HIS A 592 20.332 -10.503 -4.792 1.00 25.00 H new ATOM 0 HE2 HIS A 592 18.912 -8.535 -5.555 1.00 25.00 H new ATOM 121 N GLU A 593 20.934 -9.383 1.239 1.00 25.00 N ATOM 122 CA GLU A 593 21.271 -10.733 1.709 1.00 25.00 C ATOM 123 C GLU A 593 20.131 -11.365 2.520 1.00 25.00 C ATOM 124 O GLU A 593 19.984 -12.591 2.527 1.00 25.00 O ATOM 125 CB GLU A 593 22.558 -10.707 2.549 1.00 25.00 C ATOM 126 CG GLU A 593 23.839 -10.526 1.739 1.00 25.00 C ATOM 127 CD GLU A 593 24.056 -11.613 0.696 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.076 -12.803 1.074 1.00 25.00 O ATOM 129 OE2 GLU A 593 24.207 -11.271 -0.497 1.00 25.00 O ATOM 0 H GLU A 593 21.304 -8.635 1.826 1.00 25.00 H new ATOM 0 HA GLU A 593 21.429 -11.348 0.823 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.486 -9.898 3.276 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.628 -11.637 3.113 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.811 -9.557 1.242 1.00 25.00 H new ATOM 0 HG3 GLU A 593 24.691 -10.511 2.419 1.00 25.00 H new ATOM 136 N HIS A 594 19.327 -10.526 3.197 1.00 25.00 N ATOM 137 CA HIS A 594 18.210 -11.021 4.015 1.00 25.00 C ATOM 138 C HIS A 594 16.839 -10.763 3.378 1.00 25.00 C ATOM 139 O HIS A 594 15.884 -11.489 3.677 1.00 25.00 O ATOM 140 CB HIS A 594 18.244 -10.452 5.451 1.00 25.00 C ATOM 141 CG HIS A 594 19.444 -10.819 6.275 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.674 -12.098 6.736 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.453 -10.060 6.759 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.770 -12.108 7.471 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.261 -10.884 7.501 1.00 25.00 N ATOM 0 H HIS A 594 19.430 -9.511 3.193 1.00 25.00 H new ATOM 0 HA HIS A 594 18.349 -12.101 4.067 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.187 -9.365 5.392 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.350 -10.790 5.976 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.596 -9.003 6.593 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.193 -12.971 7.964 1.00 25.00 H new ATOM 0 HE2 HIS A 594 22.105 -10.597 7.996 1.00 25.00 H new ATOM 154 N VAL A 595 16.730 -9.743 2.505 1.00 25.00 N ATOM 155 CA VAL A 595 15.454 -9.463 1.823 1.00 25.00 C ATOM 156 C VAL A 595 15.273 -10.439 0.651 1.00 25.00 C ATOM 157 O VAL A 595 16.137 -10.543 -0.225 1.00 25.00 O ATOM 158 CB VAL A 595 15.343 -7.982 1.324 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.101 -7.756 0.457 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.311 -7.027 2.503 1.00 25.00 C ATOM 0 H VAL A 595 17.493 -9.112 2.260 1.00 25.00 H new ATOM 0 HA VAL A 595 14.656 -9.604 2.552 1.00 25.00 H new ATOM 0 HB VAL A 595 16.224 -7.787 0.712 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.067 -6.715 0.135 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.145 -8.405 -0.417 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.206 -7.986 1.036 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.234 -6.002 2.139 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.451 -7.255 3.132 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.226 -7.137 3.085 1.00 25.00 H new ATOM 170 N THR A 596 14.139 -11.140 0.661 1.00 25.00 N ATOM 171 CA THR A 596 13.836 -12.157 -0.346 1.00 25.00 C ATOM 172 C THR A 596 12.670 -11.745 -1.240 1.00 25.00 C ATOM 173 O THR A 596 12.142 -10.633 -1.129 1.00 25.00 O ATOM 174 CB THR A 596 13.492 -13.524 0.307 1.00 25.00 C ATOM 175 OG1 THR A 596 12.327 -13.400 1.134 1.00 25.00 O ATOM 176 CG2 THR A 596 14.654 -14.055 1.134 1.00 25.00 C ATOM 0 H THR A 596 13.409 -11.020 1.363 1.00 25.00 H new ATOM 0 HA THR A 596 14.737 -12.256 -0.951 1.00 25.00 H new ATOM 0 HB THR A 596 13.294 -14.233 -0.497 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.509 -13.788 2.015 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.378 -15.012 1.576 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.526 -14.189 0.493 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.891 -13.345 1.926 1.00 25.00 H new ATOM 184 N GLN A 597 12.286 -12.664 -2.130 1.00 25.00 N ATOM 185 CA GLN A 597 11.027 -12.589 -2.867 1.00 25.00 C ATOM 186 C GLN A 597 9.841 -12.837 -1.901 1.00 25.00 C ATOM 187 O GLN A 597 8.700 -12.467 -2.196 1.00 25.00 O ATOM 188 CB GLN A 597 11.092 -13.624 -4.023 1.00 25.00 C ATOM 189 CG GLN A 597 12.152 -13.404 -5.113 1.00 25.00 C ATOM 190 CD GLN A 597 12.055 -12.074 -5.842 1.00 25.00 C ATOM 191 OE1 GLN A 597 10.997 -11.723 -6.365 1.00 25.00 O ATOM 192 NE2 GLN A 597 13.155 -11.339 -5.919 1.00 25.00 N ATOM 0 H GLN A 597 12.846 -13.485 -2.359 1.00 25.00 H new ATOM 0 HA GLN A 597 10.871 -11.600 -3.299 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.259 -14.608 -3.585 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.115 -13.652 -4.505 1.00 25.00 H new ATOM 0 HG2 GLN A 597 13.140 -13.482 -4.659 1.00 25.00 H new ATOM 0 HG3 GLN A 597 12.073 -14.209 -5.844 1.00 25.00 H new ATOM 0 HE21 GLN A 597 14.015 -11.660 -5.474 1.00 25.00 H new ATOM 0 HE22 GLN A 597 13.142 -10.453 -6.423 1.00 25.00 H new ATOM 201 N ASP A 598 10.142 -13.446 -0.740 1.00 25.00 N ATOM 202 CA ASP A 598 9.129 -13.773 0.270 1.00 25.00 C ATOM 203 C ASP A 598 8.802 -12.552 1.150 1.00 25.00 C ATOM 204 O ASP A 598 7.626 -12.283 1.404 1.00 25.00 O ATOM 205 CB ASP A 598 9.607 -14.958 1.127 1.00 25.00 C ATOM 206 CG ASP A 598 9.682 -16.267 0.355 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.778 -16.524 -0.467 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.647 -17.032 0.573 1.00 25.00 O ATOM 0 H ASP A 598 11.089 -13.722 -0.480 1.00 25.00 H new ATOM 0 HA ASP A 598 8.210 -14.059 -0.243 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.591 -14.728 1.536 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.931 -15.081 1.973 1.00 25.00 H new ATOM 213 N LEU A 599 9.841 -11.814 1.610 1.00 25.00 N ATOM 214 CA LEU A 599 9.635 -10.577 2.387 1.00 25.00 C ATOM 215 C LEU A 599 8.838 -9.536 1.601 1.00 25.00 C ATOM 216 O LEU A 599 7.894 -8.959 2.132 1.00 25.00 O ATOM 217 CB LEU A 599 10.978 -9.951 2.840 1.00 25.00 C ATOM 218 CG LEU A 599 10.905 -8.636 3.652 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.197 -8.877 4.974 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.277 -8.049 3.948 1.00 25.00 C ATOM 0 H LEU A 599 10.820 -12.055 1.456 1.00 25.00 H new ATOM 0 HA LEU A 599 9.064 -10.867 3.269 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.510 -10.690 3.440 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.582 -9.767 1.952 1.00 25.00 H new ATOM 0 HG LEU A 599 10.354 -7.925 3.036 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.151 -7.945 5.537 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.186 -9.237 4.785 1.00 25.00 H new ATOM 0 HD13 LEU A 599 10.745 -9.622 5.550 1.00 25.00 H new ATOM 0 HD21 LEU A 599 12.163 -7.128 4.520 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.862 -8.765 4.526 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.790 -7.833 3.011 1.00 25.00 H new ATOM 232 N ARG A 600 9.190 -9.337 0.321 1.00 25.00 N ATOM 233 CA ARG A 600 8.539 -8.318 -0.520 1.00 25.00 C ATOM 234 C ARG A 600 7.033 -8.597 -0.704 1.00 25.00 C ATOM 235 O ARG A 600 6.257 -7.682 -0.985 1.00 25.00 O ATOM 236 CB ARG A 600 9.258 -8.195 -1.886 1.00 25.00 C ATOM 237 CG ARG A 600 10.692 -7.670 -1.829 1.00 25.00 C ATOM 238 CD ARG A 600 11.324 -7.638 -3.213 1.00 25.00 C ATOM 239 NE ARG A 600 10.655 -6.686 -4.107 1.00 25.00 N ATOM 240 CZ ARG A 600 10.902 -6.566 -5.421 1.00 25.00 C ATOM 241 NH1 ARG A 600 11.805 -7.337 -6.026 1.00 25.00 N ATOM 242 NH2 ARG A 600 10.240 -5.664 -6.133 1.00 25.00 N ATOM 0 H ARG A 600 9.920 -9.867 -0.154 1.00 25.00 H new ATOM 0 HA ARG A 600 8.623 -7.363 -0.002 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.267 -9.176 -2.362 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.673 -7.535 -2.527 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.698 -6.668 -1.401 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.287 -8.302 -1.170 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.377 -7.371 -3.123 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.284 -8.635 -3.652 1.00 25.00 H new ATOM 0 HE ARG A 600 9.951 -6.070 -3.700 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.322 -8.033 -5.490 1.00 25.00 H new ATOM 0 HH12 ARG A 600 11.979 -7.231 -7.025 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.548 -5.066 -5.682 1.00 25.00 H new ATOM 0 HH22 ARG A 600 10.423 -5.568 -7.132 1.00 25.00 H new ATOM 256 N SER A 601 6.645 -9.871 -0.538 1.00 25.00 N ATOM 257 CA SER A 601 5.239 -10.283 -0.593 1.00 25.00 C ATOM 258 C SER A 601 4.554 -10.064 0.764 1.00 25.00 C ATOM 259 O SER A 601 3.344 -9.838 0.826 1.00 25.00 O ATOM 260 CB SER A 601 5.143 -11.760 -0.999 1.00 25.00 C ATOM 261 OG SER A 601 5.550 -12.614 0.060 1.00 25.00 O ATOM 0 H SER A 601 7.294 -10.638 -0.363 1.00 25.00 H new ATOM 0 HA SER A 601 4.728 -9.672 -1.337 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.118 -11.995 -1.285 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.767 -11.940 -1.874 1.00 25.00 H new ATOM 0 HG SER A 601 6.175 -12.136 0.644 1.00 25.00 H new ATOM 267 N HIS A 602 5.352 -10.139 1.845 1.00 25.00 N ATOM 268 CA HIS A 602 4.889 -9.872 3.214 1.00 25.00 C ATOM 269 C HIS A 602 4.793 -8.369 3.493 1.00 25.00 C ATOM 270 O HIS A 602 4.058 -7.938 4.386 1.00 25.00 O ATOM 271 CB HIS A 602 5.846 -10.532 4.214 1.00 25.00 C ATOM 272 CG HIS A 602 5.873 -12.028 4.140 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.854 -12.796 4.733 1.00 25.00 N ATOM 274 CD2 HIS A 602 5.034 -12.899 3.533 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.616 -14.073 4.493 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.517 -14.163 3.768 1.00 25.00 N ATOM 0 H HIS A 602 6.340 -10.388 1.790 1.00 25.00 H new ATOM 0 HA HIS A 602 3.890 -10.293 3.325 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.853 -10.152 4.041 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.562 -10.234 5.223 1.00 25.00 H new ATOM 0 HD2 HIS A 602 4.149 -12.647 2.968 1.00 25.00 H new ATOM 0 HE1 HIS A 602 7.219 -14.903 4.832 1.00 25.00 H new ATOM 0 HE2 HIS A 602 5.095 -15.030 3.436 1.00 25.00 H new ATOM 285 N LEU A 603 5.544 -7.589 2.711 1.00 25.00 N ATOM 286 CA LEU A 603 5.519 -6.124 2.771 1.00 25.00 C ATOM 287 C LEU A 603 4.316 -5.592 1.984 1.00 25.00 C ATOM 288 O LEU A 603 3.707 -4.589 2.357 1.00 25.00 O ATOM 289 CB LEU A 603 6.830 -5.559 2.179 1.00 25.00 C ATOM 290 CG LEU A 603 8.162 -5.713 2.981 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.331 -5.171 2.202 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.155 -5.037 4.337 1.00 25.00 C ATOM 0 H LEU A 603 6.191 -7.958 2.014 1.00 25.00 H new ATOM 0 HA LEU A 603 5.430 -5.807 3.810 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.978 -6.027 1.206 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.677 -4.495 2.001 1.00 25.00 H new ATOM 0 HG LEU A 603 8.258 -6.787 3.142 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.244 -5.292 2.785 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.426 -5.715 1.262 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.171 -4.113 1.994 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.117 -5.193 4.826 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.981 -3.968 4.210 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.362 -5.463 4.952 1.00 25.00 H new ATOM 304 N VAL A 604 3.999 -6.296 0.885 1.00 25.00 N ATOM 305 CA VAL A 604 2.799 -6.056 0.079 1.00 25.00 C ATOM 306 C VAL A 604 1.541 -6.599 0.796 1.00 25.00 C ATOM 307 O VAL A 604 0.449 -6.048 0.638 1.00 25.00 O ATOM 308 CB VAL A 604 2.981 -6.698 -1.338 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.695 -6.740 -2.147 1.00 25.00 C ATOM 310 CG2 VAL A 604 4.019 -5.921 -2.129 1.00 25.00 C ATOM 0 H VAL A 604 4.579 -7.057 0.530 1.00 25.00 H new ATOM 0 HA VAL A 604 2.658 -4.983 -0.047 1.00 25.00 H new ATOM 0 HB VAL A 604 3.302 -7.726 -1.167 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.890 -7.196 -3.117 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.948 -7.328 -1.613 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.323 -5.726 -2.291 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.140 -6.373 -3.113 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.691 -4.888 -2.242 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.972 -5.944 -1.600 1.00 25.00 H new ATOM 320 N HIS A 605 1.715 -7.673 1.587 1.00 25.00 N ATOM 321 CA HIS A 605 0.617 -8.268 2.369 1.00 25.00 C ATOM 322 C HIS A 605 0.337 -7.445 3.638 1.00 25.00 C ATOM 323 O HIS A 605 -0.724 -7.570 4.246 1.00 25.00 O ATOM 324 CB HIS A 605 0.948 -9.727 2.730 1.00 25.00 C ATOM 325 CG HIS A 605 -0.192 -10.490 3.350 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.216 -11.047 2.612 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.476 -10.767 4.649 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.079 -11.632 3.425 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.652 -11.475 4.665 1.00 25.00 N ATOM 0 H HIS A 605 2.610 -8.148 1.702 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.284 -8.257 1.756 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.269 -10.248 1.828 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.792 -9.735 3.420 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.113 -10.483 5.509 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -2.979 -12.149 3.126 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.121 -11.824 5.501 1.00 25.00 H new ATOM 338 N LYS A 606 1.310 -6.609 4.015 1.00 25.00 N ATOM 339 CA LYS A 606 1.176 -5.665 5.139 1.00 25.00 C ATOM 340 C LYS A 606 0.505 -4.377 4.639 1.00 25.00 C ATOM 341 O LYS A 606 -0.126 -3.632 5.392 1.00 25.00 O ATOM 342 CB LYS A 606 2.579 -5.359 5.690 1.00 25.00 C ATOM 343 CG LYS A 606 3.039 -6.237 6.853 1.00 25.00 C ATOM 344 CD LYS A 606 4.381 -5.779 7.393 1.00 25.00 C ATOM 345 CE LYS A 606 4.808 -6.634 8.579 1.00 25.00 C ATOM 346 NZ LYS A 606 6.093 -6.169 9.182 1.00 25.00 N ATOM 0 H LYS A 606 2.217 -6.565 3.550 1.00 25.00 H new ATOM 0 HA LYS A 606 0.562 -6.095 5.930 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.298 -5.458 4.877 1.00 25.00 H new ATOM 0 HB3 LYS A 606 2.604 -4.318 6.012 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.295 -6.208 7.649 1.00 25.00 H new ATOM 0 HG3 LYS A 606 3.112 -7.273 6.522 1.00 25.00 H new ATOM 0 HD2 LYS A 606 5.134 -5.838 6.607 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.318 -4.734 7.696 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.026 -6.615 9.338 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.915 -7.670 8.257 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 6.342 -6.782 9.985 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.847 -6.212 8.467 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 5.986 -5.189 9.514 1.00 25.00 H new ATOM 360 N LEU A 607 0.677 -4.171 3.342 1.00 25.00 N ATOM 361 CA LEU A 607 0.274 -2.978 2.623 1.00 25.00 C ATOM 362 C LEU A 607 -1.183 -3.071 2.126 1.00 25.00 C ATOM 363 O LEU A 607 -1.916 -2.084 2.169 1.00 25.00 O ATOM 364 CB LEU A 607 1.299 -2.852 1.500 1.00 25.00 C ATOM 365 CG LEU A 607 1.099 -1.850 0.349 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.818 -0.421 0.798 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.359 -1.852 -0.476 1.00 25.00 C ATOM 0 H LEU A 607 1.121 -4.863 2.738 1.00 25.00 H new ATOM 0 HA LEU A 607 0.268 -2.086 3.250 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.255 -2.615 1.966 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.401 -3.839 1.049 1.00 25.00 H new ATOM 0 HG LEU A 607 0.219 -2.171 -0.208 1.00 25.00 H new ATOM 0 HD11 LEU A 607 0.690 0.217 -0.077 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.092 -0.400 1.398 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.654 -0.056 1.394 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.253 -1.151 -1.304 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.202 -1.553 0.147 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.535 -2.853 -0.869 1.00 25.00 H new ATOM 379 N VAL A 608 -1.587 -4.271 1.679 1.00 25.00 N ATOM 380 CA VAL A 608 -2.971 -4.544 1.228 1.00 25.00 C ATOM 381 C VAL A 608 -3.952 -4.601 2.424 1.00 25.00 C ATOM 382 O VAL A 608 -5.135 -4.295 2.261 1.00 25.00 O ATOM 383 CB VAL A 608 -3.029 -5.873 0.389 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.456 -6.378 0.175 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.363 -5.677 -0.970 1.00 25.00 C ATOM 0 H VAL A 608 -0.969 -5.080 1.618 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.283 -3.720 0.586 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.492 -6.624 0.969 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.433 -7.297 -0.410 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.921 -6.574 1.141 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.033 -5.623 -0.359 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.412 -6.607 -1.537 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.880 -4.890 -1.518 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.320 -5.394 -0.827 1.00 25.00 H new ATOM 395 N GLN A 609 -3.451 -4.971 3.616 1.00 25.00 N ATOM 396 CA GLN A 609 -4.278 -5.055 4.824 1.00 25.00 C ATOM 397 C GLN A 609 -4.483 -3.674 5.432 1.00 25.00 C ATOM 398 O GLN A 609 -5.552 -3.369 5.967 1.00 25.00 O ATOM 399 CB GLN A 609 -3.622 -5.968 5.856 1.00 25.00 C ATOM 400 CG GLN A 609 -3.351 -7.372 5.349 1.00 25.00 C ATOM 401 CD GLN A 609 -4.608 -8.122 4.931 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.575 -8.233 5.691 1.00 25.00 O ATOM 403 NE2 GLN A 609 -4.601 -8.644 3.711 1.00 25.00 N ATOM 0 H GLN A 609 -2.472 -5.217 3.764 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.246 -5.467 4.540 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.682 -5.520 6.177 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.264 -6.027 6.735 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -2.671 -7.317 4.499 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -2.842 -7.939 6.129 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -3.783 -8.531 3.113 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -5.414 -9.158 3.372 1.00 25.00 H new ATOM 412 N ALA A 610 -3.433 -2.850 5.339 1.00 25.00 N ATOM 413 CA ALA A 610 -3.480 -1.448 5.770 1.00 25.00 C ATOM 414 C ALA A 610 -4.466 -0.626 4.931 1.00 25.00 C ATOM 415 O ALA A 610 -5.116 0.286 5.447 1.00 25.00 O ATOM 416 CB ALA A 610 -2.091 -0.839 5.695 1.00 25.00 C ATOM 0 H ALA A 610 -2.529 -3.135 4.964 1.00 25.00 H new ATOM 0 HA ALA A 610 -3.832 -1.427 6.801 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.132 0.202 6.016 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.415 -1.393 6.346 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.727 -0.888 4.669 1.00 25.00 H new ATOM 422 N ILE A 611 -4.576 -0.969 3.637 1.00 25.00 N ATOM 423 CA ILE A 611 -5.528 -0.315 2.729 1.00 25.00 C ATOM 424 C ILE A 611 -6.933 -0.915 2.939 1.00 25.00 C ATOM 425 O ILE A 611 -7.885 -0.183 3.220 1.00 25.00 O ATOM 426 CB ILE A 611 -5.085 -0.433 1.229 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.753 0.309 1.004 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.160 0.140 0.301 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.080 0.051 -0.338 1.00 25.00 C ATOM 0 H ILE A 611 -4.015 -1.698 3.197 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.551 0.749 2.965 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.949 -1.489 0.997 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.932 1.380 1.102 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.061 0.028 1.798 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.833 0.048 -0.735 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.090 -0.411 0.438 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.323 1.191 0.538 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.152 0.620 -0.395 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.861 -1.012 -0.437 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.745 0.361 -1.144 1.00 25.00 H new ATOM 441 N PHE A 612 -7.043 -2.247 2.795 1.00 25.00 N ATOM 442 CA PHE A 612 -8.278 -2.966 3.097 1.00 25.00 C ATOM 443 C PHE A 612 -7.956 -4.322 3.773 1.00 25.00 C ATOM 444 O PHE A 612 -7.367 -5.197 3.130 1.00 25.00 O ATOM 445 CB PHE A 612 -9.099 -3.174 1.805 1.00 25.00 C ATOM 446 CG PHE A 612 -10.447 -3.817 2.019 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.522 -3.055 2.441 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.633 -5.169 1.792 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.763 -3.631 2.636 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.871 -5.754 1.985 1.00 25.00 C ATOM 451 CZ PHE A 612 -12.938 -4.983 2.407 1.00 25.00 C ATOM 0 H PHE A 612 -6.283 -2.844 2.469 1.00 25.00 H new ATOM 0 HA PHE A 612 -8.875 -2.374 3.791 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.244 -2.208 1.322 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.521 -3.791 1.117 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.390 -1.998 2.620 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.802 -5.774 1.460 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.594 -3.026 2.967 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.004 -6.811 1.806 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.907 -5.436 2.558 1.00 25.00 H new ATOM 461 N PRO A 613 -8.330 -4.526 5.083 1.00 25.00 N ATOM 462 CA PRO A 613 -8.144 -5.827 5.771 1.00 25.00 C ATOM 463 C PRO A 613 -8.899 -6.973 5.087 1.00 25.00 C ATOM 464 O PRO A 613 -10.032 -6.792 4.627 1.00 25.00 O ATOM 465 CB PRO A 613 -8.710 -5.587 7.178 1.00 25.00 C ATOM 466 CG PRO A 613 -8.594 -4.123 7.394 1.00 25.00 C ATOM 467 CD PRO A 613 -8.923 -3.526 6.005 1.00 25.00 C ATOM 0 HA PRO A 613 -7.097 -6.130 5.764 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.747 -5.915 7.248 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -8.149 -6.143 7.929 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -9.290 -3.773 8.156 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -7.593 -3.844 7.724 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.997 -3.419 5.852 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.482 -2.538 5.872 1.00 25.00 H new ATOM 475 N THR A 614 -8.260 -8.148 5.028 1.00 25.00 N ATOM 476 CA THR A 614 -8.823 -9.303 4.334 1.00 25.00 C ATOM 477 C THR A 614 -9.494 -10.304 5.283 1.00 25.00 C ATOM 478 O THR A 614 -8.827 -10.907 6.131 1.00 25.00 O ATOM 479 CB THR A 614 -7.778 -10.062 3.502 1.00 25.00 C ATOM 480 OG1 THR A 614 -7.181 -9.203 2.522 1.00 25.00 O ATOM 481 CG2 THR A 614 -8.394 -11.280 2.841 1.00 25.00 C ATOM 0 H THR A 614 -7.350 -8.320 5.455 1.00 25.00 H new ATOM 0 HA THR A 614 -9.576 -8.876 3.672 1.00 25.00 H new ATOM 0 HB THR A 614 -6.994 -10.402 4.179 1.00 25.00 H new ATOM 0 HG1 THR A 614 -7.348 -9.563 1.626 1.00 25.00 H new ATOM 0 HG21 THR A 614 -7.634 -11.801 2.258 1.00 25.00 H new ATOM 0 HG22 THR A 614 -8.786 -11.950 3.606 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.205 -10.966 2.183 1.00 25.00 H new ATOM 489 N PRO A 615 -10.844 -10.480 5.160 1.00 25.00 N ATOM 490 CA PRO A 615 -11.576 -11.592 5.798 1.00 25.00 C ATOM 491 C PRO A 615 -11.238 -12.949 5.171 1.00 25.00 C ATOM 492 O PRO A 615 -10.828 -13.881 5.866 1.00 25.00 O ATOM 493 CB PRO A 615 -13.051 -11.264 5.531 1.00 25.00 C ATOM 494 CG PRO A 615 -13.106 -9.790 5.332 1.00 25.00 C ATOM 495 CD PRO A 615 -11.771 -9.584 4.437 1.00 25.00 C ATOM 0 HA PRO A 615 -11.321 -11.677 6.854 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -13.416 -11.792 4.650 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -13.678 -11.570 6.369 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.010 -9.472 4.813 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -13.068 -9.240 6.272 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -11.914 -9.881 3.398 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.430 -8.549 4.428 1.00 25.00 H new ATOM 503 N ASP A 616 -11.429 -13.033 3.848 1.00 25.00 N ATOM 504 CA ASP A 616 -11.202 -14.271 3.095 1.00 25.00 C ATOM 505 C ASP A 616 -10.272 -14.038 1.892 1.00 25.00 C ATOM 506 O ASP A 616 -10.354 -13.002 1.227 1.00 25.00 O ATOM 507 CB ASP A 616 -12.543 -14.856 2.626 1.00 25.00 C ATOM 508 CG ASP A 616 -12.446 -16.300 2.158 1.00 25.00 C ATOM 509 OD1 ASP A 616 -11.721 -16.557 1.173 1.00 25.00 O ATOM 510 OD2 ASP A 616 -13.096 -17.171 2.770 1.00 25.00 O ATOM 0 H ASP A 616 -11.743 -12.250 3.274 1.00 25.00 H new ATOM 0 HA ASP A 616 -10.712 -14.983 3.759 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -13.262 -14.795 3.443 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -12.932 -14.244 1.812 1.00 25.00 H new ATOM 515 N PRO A 617 -9.361 -15.023 1.608 1.00 25.00 N ATOM 516 CA PRO A 617 -8.483 -15.024 0.406 1.00 25.00 C ATOM 517 C PRO A 617 -9.249 -14.997 -0.935 1.00 25.00 C ATOM 518 O PRO A 617 -8.649 -14.755 -1.987 1.00 25.00 O ATOM 519 CB PRO A 617 -7.714 -16.352 0.536 1.00 25.00 C ATOM 520 CG PRO A 617 -7.783 -16.696 1.987 1.00 25.00 C ATOM 521 CD PRO A 617 -9.090 -16.210 2.455 1.00 25.00 C ATOM 0 HA PRO A 617 -7.861 -14.129 0.381 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.166 -17.132 -0.077 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -6.681 -16.245 0.204 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -7.689 -17.771 2.138 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -6.970 -16.224 2.539 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -9.863 -16.969 2.336 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -9.062 -15.947 3.512 1.00 25.00 H new ATOM 529 N ALA A 618 -10.570 -15.251 -0.883 1.00 25.00 N ATOM 530 CA ALA A 618 -11.426 -15.259 -2.081 1.00 25.00 C ATOM 531 C ALA A 618 -11.745 -13.839 -2.562 1.00 25.00 C ATOM 532 O ALA A 618 -11.855 -13.599 -3.767 1.00 25.00 O ATOM 533 CB ALA A 618 -12.714 -16.029 -1.813 1.00 25.00 C ATOM 0 H ALA A 618 -11.069 -15.455 -0.017 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.872 -15.760 -2.875 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.334 -16.024 -2.709 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.474 -17.057 -1.543 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.257 -15.557 -0.994 1.00 25.00 H new ATOM 539 N ALA A 619 -11.895 -12.904 -1.606 1.00 25.00 N ATOM 540 CA ALA A 619 -12.062 -11.476 -1.920 1.00 25.00 C ATOM 541 C ALA A 619 -10.740 -10.861 -2.387 1.00 25.00 C ATOM 542 O ALA A 619 -10.723 -9.880 -3.136 1.00 25.00 O ATOM 543 CB ALA A 619 -12.575 -10.724 -0.705 1.00 25.00 C ATOM 0 H ALA A 619 -11.904 -13.114 -0.608 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.790 -11.392 -2.727 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.693 -9.669 -0.953 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -13.538 -11.136 -0.402 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.863 -10.826 0.114 1.00 25.00 H new ATOM 549 N LEU A 620 -9.640 -11.466 -1.924 1.00 25.00 N ATOM 550 CA LEU A 620 -8.288 -11.049 -2.255 1.00 25.00 C ATOM 551 C LEU A 620 -7.836 -11.608 -3.624 1.00 25.00 C ATOM 552 O LEU A 620 -6.800 -11.198 -4.158 1.00 25.00 O ATOM 553 CB LEU A 620 -7.397 -11.538 -1.100 1.00 25.00 C ATOM 554 CG LEU A 620 -5.946 -11.050 -1.021 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.847 -9.528 -1.103 1.00 25.00 C ATOM 556 CD2 LEU A 620 -5.334 -11.564 0.264 1.00 25.00 C ATOM 0 H LEU A 620 -9.673 -12.271 -1.299 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.222 -9.966 -2.359 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -7.888 -11.262 -0.167 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -7.376 -12.627 -1.139 1.00 25.00 H new ATOM 0 HG LEU A 620 -5.396 -11.440 -1.878 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -4.801 -9.228 -1.043 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -6.269 -9.186 -2.048 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -6.400 -9.082 -0.276 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -4.300 -11.225 0.336 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.900 -11.184 1.114 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -5.360 -12.654 0.269 1.00 25.00 H new ATOM 568 N LYS A 621 -8.634 -12.531 -4.180 1.00 25.00 N ATOM 569 CA LYS A 621 -8.347 -13.147 -5.481 1.00 25.00 C ATOM 570 C LYS A 621 -9.239 -12.532 -6.578 1.00 25.00 C ATOM 571 O LYS A 621 -9.340 -13.065 -7.691 1.00 25.00 O ATOM 572 CB LYS A 621 -8.560 -14.665 -5.394 1.00 25.00 C ATOM 573 CG LYS A 621 -7.425 -15.416 -4.686 1.00 25.00 C ATOM 574 CD LYS A 621 -7.801 -16.847 -4.288 1.00 25.00 C ATOM 575 CE LYS A 621 -6.684 -17.542 -3.527 1.00 25.00 C ATOM 576 NZ LYS A 621 -7.130 -18.831 -2.932 1.00 25.00 N ATOM 0 H LYS A 621 -9.491 -12.869 -3.743 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.307 -12.953 -5.745 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -9.494 -14.861 -4.868 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.672 -15.064 -6.402 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -6.554 -15.445 -5.341 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -7.134 -14.863 -3.793 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -8.700 -16.827 -3.672 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -8.040 -17.421 -5.183 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -5.846 -17.725 -4.200 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -6.321 -16.885 -2.737 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -6.337 -19.271 -2.423 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -7.912 -18.655 -2.270 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -7.453 -19.469 -3.687 1.00 25.00 H new ATOM 590 N ASP A 622 -9.861 -11.392 -6.251 1.00 25.00 N ATOM 591 CA ASP A 622 -10.813 -10.717 -7.138 1.00 25.00 C ATOM 592 C ASP A 622 -10.083 -9.848 -8.178 1.00 25.00 C ATOM 593 O ASP A 622 -8.908 -9.509 -8.007 1.00 25.00 O ATOM 594 CB ASP A 622 -11.770 -9.868 -6.284 1.00 25.00 C ATOM 595 CG ASP A 622 -12.969 -9.352 -7.063 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.218 -9.860 -8.177 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.658 -8.441 -6.557 1.00 25.00 O ATOM 0 H ASP A 622 -9.717 -10.912 -5.362 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.384 -11.464 -7.690 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.121 -10.464 -5.442 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.223 -9.022 -5.869 1.00 25.00 H new ATOM 602 N ARG A 623 -10.808 -9.496 -9.252 1.00 25.00 N ATOM 603 CA ARG A 623 -10.259 -8.711 -10.375 1.00 25.00 C ATOM 604 C ARG A 623 -10.202 -7.231 -10.018 1.00 25.00 C ATOM 605 O ARG A 623 -9.249 -6.529 -10.362 1.00 25.00 O ATOM 606 CB ARG A 623 -11.123 -8.881 -11.638 1.00 25.00 C ATOM 607 CG ARG A 623 -11.063 -10.268 -12.249 1.00 25.00 C ATOM 608 CD ARG A 623 -9.795 -10.476 -13.068 1.00 25.00 C ATOM 609 NE ARG A 623 -8.663 -10.910 -12.237 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.465 -12.164 -11.805 1.00 25.00 C ATOM 611 NH1 ARG A 623 -9.317 -13.142 -12.110 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.404 -12.443 -11.060 1.00 25.00 N ATOM 0 H ARG A 623 -11.790 -9.746 -9.368 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.253 -9.081 -10.571 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.159 -8.650 -11.390 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -10.804 -8.153 -12.384 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.110 -11.015 -11.457 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -11.935 -10.422 -12.885 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -9.982 -11.221 -13.842 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -9.536 -9.547 -13.576 1.00 25.00 H new ATOM 0 HE ARG A 623 -7.977 -10.205 -11.969 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.138 -12.943 -12.682 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -9.148 -14.089 -11.772 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -6.743 -11.705 -10.818 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.249 -13.395 -10.729 1.00 25.00 H new ATOM 626 N ARG A 624 -11.257 -6.780 -9.329 1.00 25.00 N ATOM 627 CA ARG A 624 -11.380 -5.383 -8.867 1.00 25.00 C ATOM 628 C ARG A 624 -10.355 -5.041 -7.774 1.00 25.00 C ATOM 629 O ARG A 624 -9.992 -3.873 -7.602 1.00 25.00 O ATOM 630 CB ARG A 624 -12.803 -5.115 -8.339 1.00 25.00 C ATOM 631 CG ARG A 624 -13.883 -4.969 -9.420 1.00 25.00 C ATOM 632 CD ARG A 624 -15.212 -4.436 -8.875 1.00 25.00 C ATOM 633 NE ARG A 624 -15.966 -5.448 -8.122 1.00 25.00 N ATOM 634 CZ ARG A 624 -17.199 -5.269 -7.622 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.846 -4.116 -7.779 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.785 -6.256 -6.958 1.00 25.00 N ATOM 0 H ARG A 624 -12.051 -7.368 -9.074 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.179 -4.745 -9.727 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.086 -5.930 -7.673 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.786 -4.205 -7.740 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.521 -4.297 -10.198 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -14.052 -5.938 -9.889 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.017 -3.580 -8.229 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.822 -4.078 -9.704 1.00 25.00 H new ATOM 0 HE ARG A 624 -15.520 -6.352 -7.968 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -17.405 -3.349 -8.287 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.782 -4.000 -7.392 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -17.299 -7.144 -6.830 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.722 -6.128 -6.575 1.00 25.00 H new ATOM 650 N MET A 625 -9.892 -6.070 -7.050 1.00 25.00 N ATOM 651 CA MET A 625 -8.903 -5.903 -5.980 1.00 25.00 C ATOM 652 C MET A 625 -7.472 -5.990 -6.530 1.00 25.00 C ATOM 653 O MET A 625 -6.584 -5.260 -6.081 1.00 25.00 O ATOM 654 CB MET A 625 -9.120 -6.971 -4.896 1.00 25.00 C ATOM 655 CG MET A 625 -8.104 -6.918 -3.757 1.00 25.00 C ATOM 656 SD MET A 625 -8.196 -5.378 -2.826 1.00 25.00 S ATOM 657 CE MET A 625 -8.399 -6.007 -1.167 1.00 25.00 C ATOM 0 H MET A 625 -10.191 -7.035 -7.190 1.00 25.00 H new ATOM 0 HA MET A 625 -9.036 -4.914 -5.543 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.121 -6.854 -4.481 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.080 -7.957 -5.359 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.274 -7.758 -3.083 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.100 -7.034 -4.164 1.00 25.00 H new ATOM 0 HE1 MET A 625 -7.881 -5.354 -0.464 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.460 -6.040 -0.917 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.981 -7.012 -1.105 1.00 25.00 H new ATOM 667 N GLU A 626 -7.268 -6.898 -7.499 1.00 25.00 N ATOM 668 CA GLU A 626 -5.958 -7.124 -8.138 1.00 25.00 C ATOM 669 C GLU A 626 -5.369 -5.830 -8.749 1.00 25.00 C ATOM 670 O GLU A 626 -4.158 -5.745 -8.979 1.00 25.00 O ATOM 671 CB GLU A 626 -6.093 -8.217 -9.212 1.00 25.00 C ATOM 672 CG GLU A 626 -4.785 -8.575 -9.918 1.00 25.00 C ATOM 673 CD GLU A 626 -4.919 -9.787 -10.817 1.00 25.00 C ATOM 674 OE1 GLU A 626 -5.955 -9.906 -11.505 1.00 25.00 O ATOM 675 OE2 GLU A 626 -3.989 -10.621 -10.833 1.00 25.00 O ATOM 0 H GLU A 626 -8.008 -7.498 -7.863 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.261 -7.450 -7.366 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.499 -9.116 -8.749 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.816 -7.888 -9.958 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.452 -7.723 -10.511 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.014 -8.765 -9.171 1.00 25.00 H new ATOM 682 N ASN A 627 -6.238 -4.835 -9.003 1.00 25.00 N ATOM 683 CA ASN A 627 -5.825 -3.545 -9.577 1.00 25.00 C ATOM 684 C ASN A 627 -5.004 -2.699 -8.591 1.00 25.00 C ATOM 685 O ASN A 627 -4.071 -2.005 -9.008 1.00 25.00 O ATOM 686 CB ASN A 627 -7.053 -2.751 -10.052 1.00 25.00 C ATOM 687 CG ASN A 627 -7.656 -3.287 -11.344 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.010 -4.017 -12.100 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.905 -2.921 -11.605 1.00 25.00 N ATOM 0 H ASN A 627 -7.239 -4.903 -8.817 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.183 -3.769 -10.429 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.813 -2.768 -9.270 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.769 -1.709 -10.197 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.364 -3.245 -12.456 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.406 -2.316 -10.954 1.00 25.00 H new ATOM 696 N LEU A 628 -5.345 -2.759 -7.288 1.00 25.00 N ATOM 697 CA LEU A 628 -4.594 -2.017 -6.263 1.00 25.00 C ATOM 698 C LEU A 628 -3.394 -2.840 -5.771 1.00 25.00 C ATOM 699 O LEU A 628 -2.383 -2.276 -5.349 1.00 25.00 O ATOM 700 CB LEU A 628 -5.523 -1.517 -5.108 1.00 25.00 C ATOM 701 CG LEU A 628 -6.823 -0.741 -5.447 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.429 -0.090 -4.212 1.00 25.00 C ATOM 703 CD2 LEU A 628 -6.527 0.344 -6.457 1.00 25.00 C ATOM 0 H LEU A 628 -6.126 -3.307 -6.927 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.189 -1.113 -6.717 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.809 -2.389 -4.520 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.922 -0.878 -4.461 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.533 -1.462 -5.851 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.338 0.444 -4.491 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.670 -0.858 -3.477 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.714 0.611 -3.782 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -7.445 0.884 -6.690 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.793 1.036 -6.043 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -6.129 -0.105 -7.367 1.00 25.00 H new ATOM 715 N VAL A 629 -3.524 -4.179 -5.814 1.00 25.00 N ATOM 716 CA VAL A 629 -2.400 -5.099 -5.551 1.00 25.00 C ATOM 717 C VAL A 629 -1.239 -4.796 -6.516 1.00 25.00 C ATOM 718 O VAL A 629 -0.066 -4.892 -6.148 1.00 25.00 O ATOM 719 CB VAL A 629 -2.865 -6.586 -5.692 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.709 -7.586 -5.577 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.940 -6.908 -4.655 1.00 25.00 C ATOM 0 H VAL A 629 -4.402 -4.651 -6.030 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.052 -4.950 -4.529 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.279 -6.690 -6.695 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.094 -8.600 -5.683 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -0.979 -7.391 -6.363 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.231 -7.479 -4.603 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.253 -7.946 -4.766 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.537 -6.756 -3.654 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.798 -6.252 -4.804 1.00 25.00 H new ATOM 731 N ALA A 630 -1.606 -4.418 -7.743 1.00 25.00 N ATOM 732 CA ALA A 630 -0.653 -4.010 -8.769 1.00 25.00 C ATOM 733 C ALA A 630 -0.117 -2.593 -8.504 1.00 25.00 C ATOM 734 O ALA A 630 0.930 -2.205 -9.032 1.00 25.00 O ATOM 735 CB ALA A 630 -1.327 -4.103 -10.124 1.00 25.00 C ATOM 0 H ALA A 630 -2.578 -4.387 -8.051 1.00 25.00 H new ATOM 0 HA ALA A 630 0.209 -4.677 -8.748 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.625 -3.800 -10.901 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.645 -5.130 -10.302 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.196 -3.445 -10.144 1.00 25.00 H new ATOM 741 N TYR A 631 -0.855 -1.839 -7.672 1.00 25.00 N ATOM 742 CA TYR A 631 -0.426 -0.525 -7.178 1.00 25.00 C ATOM 743 C TYR A 631 0.591 -0.679 -6.028 1.00 25.00 C ATOM 744 O TYR A 631 1.518 0.126 -5.908 1.00 25.00 O ATOM 745 CB TYR A 631 -1.672 0.289 -6.732 1.00 25.00 C ATOM 746 CG TYR A 631 -1.391 1.639 -6.083 1.00 25.00 C ATOM 747 CD1 TYR A 631 -1.300 2.790 -6.864 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.244 1.766 -4.704 1.00 25.00 C ATOM 749 CE1 TYR A 631 -1.069 4.023 -6.284 1.00 25.00 C ATOM 750 CE2 TYR A 631 -1.008 2.997 -4.123 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.834 4.087 -4.883 1.00 25.00 C ATOM 752 OH TYR A 631 -0.693 5.348 -4.339 1.00 25.00 O ATOM 0 H TYR A 631 -1.769 -2.127 -7.323 1.00 25.00 H new ATOM 0 HA TYR A 631 0.075 0.018 -7.980 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.306 0.452 -7.604 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.245 -0.317 -6.030 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -1.411 2.717 -7.936 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.316 0.888 -4.079 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -1.067 4.921 -6.884 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -0.963 3.082 -3.047 1.00 25.00 H new ATOM 0 HH TYR A 631 -0.537 5.273 -3.374 1.00 25.00 H new ATOM 762 N ALA A 632 0.404 -1.719 -5.201 1.00 25.00 N ATOM 763 CA ALA A 632 1.295 -1.995 -4.065 1.00 25.00 C ATOM 764 C ALA A 632 2.537 -2.780 -4.504 1.00 25.00 C ATOM 765 O ALA A 632 3.603 -2.655 -3.892 1.00 25.00 O ATOM 766 CB ALA A 632 0.560 -2.769 -2.994 1.00 25.00 C ATOM 0 H ALA A 632 -0.361 -2.386 -5.299 1.00 25.00 H new ATOM 0 HA ALA A 632 1.619 -1.035 -3.662 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.234 -2.965 -2.160 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.291 -2.186 -2.643 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.207 -3.715 -3.406 1.00 25.00 H new ATOM 772 N LYS A 633 2.387 -3.591 -5.573 1.00 25.00 N ATOM 773 CA LYS A 633 3.491 -4.397 -6.125 1.00 25.00 C ATOM 774 C LYS A 633 4.604 -3.504 -6.697 1.00 25.00 C ATOM 775 O LYS A 633 5.794 -3.797 -6.559 1.00 25.00 O ATOM 776 CB LYS A 633 2.974 -5.334 -7.227 1.00 25.00 C ATOM 777 CG LYS A 633 2.345 -6.633 -6.723 1.00 25.00 C ATOM 778 CD LYS A 633 1.767 -7.475 -7.858 1.00 25.00 C ATOM 779 CE LYS A 633 1.250 -8.824 -7.369 1.00 25.00 C ATOM 780 NZ LYS A 633 0.446 -9.534 -8.407 1.00 25.00 N ATOM 0 H LYS A 633 1.505 -3.703 -6.072 1.00 25.00 H new ATOM 0 HA LYS A 633 3.904 -4.989 -5.308 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.236 -4.797 -7.824 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.802 -5.582 -7.891 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.096 -7.214 -6.188 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.556 -6.399 -6.009 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.954 -6.928 -8.336 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.534 -7.635 -8.616 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.094 -9.449 -7.076 1.00 25.00 H new ATOM 0 HE3 LYS A 633 0.639 -8.675 -6.479 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.117 -10.445 -8.028 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.375 -8.951 -8.669 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.035 -9.701 -9.248 1.00 25.00 H new ATOM 794 N LYS A 634 4.170 -2.412 -7.343 1.00 25.00 N ATOM 795 CA LYS A 634 5.054 -1.382 -7.910 1.00 25.00 C ATOM 796 C LYS A 634 5.600 -0.456 -6.808 1.00 25.00 C ATOM 797 O LYS A 634 6.702 0.088 -6.927 1.00 25.00 O ATOM 798 CB LYS A 634 4.248 -0.572 -8.955 1.00 25.00 C ATOM 799 CG LYS A 634 5.066 0.397 -9.824 1.00 25.00 C ATOM 800 CD LYS A 634 5.066 1.830 -9.281 1.00 25.00 C ATOM 801 CE LYS A 634 5.758 2.818 -10.225 1.00 25.00 C ATOM 802 NZ LYS A 634 5.893 4.169 -9.613 1.00 25.00 N ATOM 0 H LYS A 634 3.180 -2.216 -7.489 1.00 25.00 H new ATOM 0 HA LYS A 634 5.912 -1.857 -8.387 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.733 -1.273 -9.612 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.480 -0.002 -8.432 1.00 25.00 H new ATOM 0 HG2 LYS A 634 6.093 0.039 -9.890 1.00 25.00 H new ATOM 0 HG3 LYS A 634 4.663 0.398 -10.837 1.00 25.00 H new ATOM 0 HD2 LYS A 634 4.038 2.152 -9.115 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.566 1.848 -8.313 1.00 25.00 H new ATOM 0 HE2 LYS A 634 6.745 2.438 -10.488 1.00 25.00 H new ATOM 0 HE3 LYS A 634 5.189 2.894 -11.151 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 6.483 4.769 -10.224 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 4.952 4.599 -9.510 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 6.339 4.083 -8.677 1.00 25.00 H new ATOM 816 N VAL A 635 4.812 -0.308 -5.745 1.00 25.00 N ATOM 817 CA VAL A 635 5.065 0.672 -4.693 1.00 25.00 C ATOM 818 C VAL A 635 6.232 0.250 -3.774 1.00 25.00 C ATOM 819 O VAL A 635 7.098 1.066 -3.468 1.00 25.00 O ATOM 820 CB VAL A 635 3.716 0.943 -3.941 1.00 25.00 C ATOM 821 CG1 VAL A 635 3.833 1.142 -2.428 1.00 25.00 C ATOM 822 CG2 VAL A 635 2.995 2.116 -4.572 1.00 25.00 C ATOM 0 H VAL A 635 3.974 -0.869 -5.589 1.00 25.00 H new ATOM 0 HA VAL A 635 5.404 1.614 -5.125 1.00 25.00 H new ATOM 0 HB VAL A 635 3.138 0.026 -4.057 1.00 25.00 H new ATOM 0 HG11 VAL A 635 2.844 1.322 -2.007 1.00 25.00 H new ATOM 0 HG12 VAL A 635 4.262 0.248 -1.976 1.00 25.00 H new ATOM 0 HG13 VAL A 635 4.476 1.998 -2.222 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.059 2.296 -4.042 1.00 25.00 H new ATOM 0 HG22 VAL A 635 3.623 3.005 -4.511 1.00 25.00 H new ATOM 0 HG23 VAL A 635 2.783 1.893 -5.618 1.00 25.00 H new ATOM 832 N GLU A 636 6.250 -1.034 -3.373 1.00 25.00 N ATOM 833 CA GLU A 636 7.302 -1.592 -2.501 1.00 25.00 C ATOM 834 C GLU A 636 8.672 -1.597 -3.207 1.00 25.00 C ATOM 835 O GLU A 636 9.714 -1.490 -2.554 1.00 25.00 O ATOM 836 CB GLU A 636 6.905 -3.016 -2.095 1.00 25.00 C ATOM 837 CG GLU A 636 7.882 -3.695 -1.141 1.00 25.00 C ATOM 838 CD GLU A 636 9.007 -4.439 -1.841 1.00 25.00 C ATOM 839 OE1 GLU A 636 8.886 -4.693 -3.058 1.00 25.00 O ATOM 840 OE2 GLU A 636 10.005 -4.771 -1.168 1.00 25.00 O ATOM 0 H GLU A 636 5.538 -1.713 -3.643 1.00 25.00 H new ATOM 0 HA GLU A 636 7.396 -0.965 -1.614 1.00 25.00 H new ATOM 0 HB2 GLU A 636 5.921 -2.986 -1.627 1.00 25.00 H new ATOM 0 HB3 GLU A 636 6.812 -3.625 -2.994 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.313 -2.942 -0.481 1.00 25.00 H new ATOM 0 HG3 GLU A 636 7.333 -4.395 -0.511 1.00 25.00 H new ATOM 847 N GLY A 637 8.647 -1.707 -4.546 1.00 25.00 N ATOM 848 CA GLY A 637 9.871 -1.699 -5.347 1.00 25.00 C ATOM 849 C GLY A 637 10.496 -0.315 -5.482 1.00 25.00 C ATOM 850 O GLY A 637 11.679 -0.195 -5.813 1.00 25.00 O ATOM 0 H GLY A 637 7.790 -1.802 -5.091 1.00 25.00 H new ATOM 0 HA2 GLY A 637 10.597 -2.375 -4.895 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.649 -2.088 -6.341 1.00 25.00 H new ATOM 854 N ASP A 638 9.690 0.727 -5.223 1.00 25.00 N ATOM 855 CA ASP A 638 10.148 2.122 -5.280 1.00 25.00 C ATOM 856 C ASP A 638 10.927 2.503 -4.005 1.00 25.00 C ATOM 857 O ASP A 638 11.684 3.479 -4.003 1.00 25.00 O ATOM 858 CB ASP A 638 8.941 3.055 -5.478 1.00 25.00 C ATOM 859 CG ASP A 638 8.369 3.010 -6.887 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.062 2.501 -7.793 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.230 3.485 -7.081 1.00 25.00 O ATOM 0 H ASP A 638 8.707 0.626 -4.969 1.00 25.00 H new ATOM 0 HA ASP A 638 10.827 2.232 -6.126 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.160 2.783 -4.768 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.240 4.078 -5.247 1.00 25.00 H new ATOM 866 N MET A 639 10.732 1.720 -2.930 1.00 25.00 N ATOM 867 CA MET A 639 11.420 1.944 -1.648 1.00 25.00 C ATOM 868 C MET A 639 12.884 1.486 -1.681 1.00 25.00 C ATOM 869 O MET A 639 13.710 1.980 -0.908 1.00 25.00 O ATOM 870 CB MET A 639 10.695 1.220 -0.511 1.00 25.00 C ATOM 871 CG MET A 639 9.354 1.827 -0.166 1.00 25.00 C ATOM 872 SD MET A 639 8.287 0.707 0.745 1.00 25.00 S ATOM 873 CE MET A 639 6.734 1.035 -0.069 1.00 25.00 C ATOM 0 H MET A 639 10.098 0.921 -2.925 1.00 25.00 H new ATOM 0 HA MET A 639 11.405 3.020 -1.474 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.551 0.176 -0.789 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.328 1.229 0.376 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.512 2.730 0.424 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.852 2.131 -1.085 1.00 25.00 H new ATOM 0 HE1 MET A 639 6.214 0.095 -0.252 1.00 25.00 H new ATOM 0 HE2 MET A 639 6.118 1.673 0.565 1.00 25.00 H new ATOM 0 HE3 MET A 639 6.920 1.538 -1.018 1.00 25.00 H new ATOM 883 N TYR A 640 13.193 0.545 -2.585 1.00 25.00 N ATOM 884 CA TYR A 640 14.540 -0.029 -2.699 1.00 25.00 C ATOM 885 C TYR A 640 15.496 0.929 -3.434 1.00 25.00 C ATOM 886 O TYR A 640 16.709 0.901 -3.205 1.00 25.00 O ATOM 887 CB TYR A 640 14.462 -1.379 -3.434 1.00 25.00 C ATOM 888 CG TYR A 640 15.353 -1.484 -4.659 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.718 -1.730 -4.529 1.00 25.00 C ATOM 890 CD2 TYR A 640 14.833 -1.340 -5.940 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.535 -1.828 -5.639 1.00 25.00 C ATOM 892 CE2 TYR A 640 15.645 -1.437 -7.054 1.00 25.00 C ATOM 893 CZ TYR A 640 16.994 -1.680 -6.898 1.00 25.00 C ATOM 894 OH TYR A 640 17.803 -1.773 -8.004 1.00 25.00 O ATOM 0 H TYR A 640 12.522 0.164 -3.252 1.00 25.00 H new ATOM 0 HA TYR A 640 14.937 -0.184 -1.696 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.730 -2.173 -2.737 1.00 25.00 H new ATOM 0 HB3 TYR A 640 13.429 -1.554 -3.736 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.145 -1.846 -3.544 1.00 25.00 H new ATOM 0 HD2 TYR A 640 13.778 -1.149 -6.067 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.591 -2.019 -5.521 1.00 25.00 H new ATOM 0 HE2 TYR A 640 15.225 -1.323 -8.043 1.00 25.00 H new ATOM 0 HH TYR A 640 17.266 -1.646 -8.814 1.00 25.00 H new ATOM 904 N GLU A 641 14.930 1.771 -4.312 1.00 25.00 N ATOM 905 CA GLU A 641 15.705 2.763 -5.073 1.00 25.00 C ATOM 906 C GLU A 641 15.836 4.093 -4.314 1.00 25.00 C ATOM 907 O GLU A 641 16.751 4.877 -4.585 1.00 25.00 O ATOM 908 CB GLU A 641 15.055 3.012 -6.442 1.00 25.00 C ATOM 909 CG GLU A 641 15.100 1.818 -7.379 1.00 25.00 C ATOM 910 CD GLU A 641 14.620 2.151 -8.778 1.00 25.00 C ATOM 911 OE1 GLU A 641 14.274 3.326 -9.025 1.00 25.00 O ATOM 912 OE2 GLU A 641 14.592 1.236 -9.630 1.00 25.00 O ATOM 0 H GLU A 641 13.930 1.784 -4.514 1.00 25.00 H new ATOM 0 HA GLU A 641 16.706 2.354 -5.212 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.015 3.302 -6.291 1.00 25.00 H new ATOM 0 HB3 GLU A 641 15.554 3.854 -6.921 1.00 25.00 H new ATOM 0 HG2 GLU A 641 16.121 1.441 -7.430 1.00 25.00 H new ATOM 0 HG3 GLU A 641 14.484 1.017 -6.970 1.00 25.00 H new ATOM 919 N SER A 642 14.921 4.332 -3.360 1.00 25.00 N ATOM 920 CA SER A 642 14.880 5.593 -2.609 1.00 25.00 C ATOM 921 C SER A 642 15.647 5.493 -1.282 1.00 25.00 C ATOM 922 O SER A 642 16.430 6.388 -0.948 1.00 25.00 O ATOM 923 CB SER A 642 13.419 5.999 -2.352 1.00 25.00 C ATOM 924 OG SER A 642 12.723 6.232 -3.567 1.00 25.00 O ATOM 0 H SER A 642 14.198 3.664 -3.092 1.00 25.00 H new ATOM 0 HA SER A 642 15.370 6.358 -3.211 1.00 25.00 H new ATOM 0 HB2 SER A 642 12.916 5.214 -1.788 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.393 6.899 -1.738 1.00 25.00 H new ATOM 0 HG SER A 642 12.291 5.403 -3.861 1.00 25.00 H new ATOM 930 N ALA A 643 15.419 4.401 -0.535 1.00 25.00 N ATOM 931 CA ALA A 643 16.068 4.187 0.763 1.00 25.00 C ATOM 932 C ALA A 643 17.411 3.463 0.617 1.00 25.00 C ATOM 933 O ALA A 643 17.612 2.698 -0.332 1.00 25.00 O ATOM 934 CB ALA A 643 15.144 3.397 1.674 1.00 25.00 C ATOM 0 H ALA A 643 14.786 3.651 -0.812 1.00 25.00 H new ATOM 0 HA ALA A 643 16.269 5.164 1.202 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.630 3.240 2.637 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.217 3.951 1.821 1.00 25.00 H new ATOM 0 HB3 ALA A 643 14.922 2.432 1.218 1.00 25.00 H new ATOM 940 N ASN A 644 18.322 3.714 1.568 1.00 25.00 N ATOM 941 CA ASN A 644 19.659 3.101 1.560 1.00 25.00 C ATOM 942 C ASN A 644 19.887 2.195 2.786 1.00 25.00 C ATOM 943 O ASN A 644 20.885 1.470 2.849 1.00 25.00 O ATOM 944 CB ASN A 644 20.754 4.189 1.484 1.00 25.00 C ATOM 945 CG ASN A 644 20.690 5.038 0.220 1.00 25.00 C ATOM 946 OD1 ASN A 644 20.990 4.565 -0.875 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.280 6.294 0.370 1.00 25.00 N ATOM 0 H ASN A 644 18.157 4.340 2.356 1.00 25.00 H new ATOM 0 HA ASN A 644 19.721 2.472 0.672 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.667 4.841 2.353 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.732 3.712 1.541 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.204 6.906 -0.442 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.041 6.645 1.297 1.00 25.00 H new ATOM 954 N SER A 645 18.953 2.242 3.745 1.00 25.00 N ATOM 955 CA SER A 645 19.063 1.477 4.993 1.00 25.00 C ATOM 956 C SER A 645 17.750 0.746 5.291 1.00 25.00 C ATOM 957 O SER A 645 16.683 1.160 4.832 1.00 25.00 O ATOM 958 CB SER A 645 19.420 2.421 6.152 1.00 25.00 C ATOM 959 OG SER A 645 20.647 3.094 5.915 1.00 25.00 O ATOM 0 H SER A 645 18.106 2.807 3.678 1.00 25.00 H new ATOM 0 HA SER A 645 19.853 0.734 4.882 1.00 25.00 H new ATOM 0 HB2 SER A 645 18.623 3.152 6.286 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.489 1.851 7.079 1.00 25.00 H new ATOM 0 HG SER A 645 20.845 3.688 6.669 1.00 25.00 H new ATOM 965 N ARG A 646 17.849 -0.344 6.075 1.00 25.00 N ATOM 966 CA ARG A 646 16.695 -1.202 6.409 1.00 25.00 C ATOM 967 C ARG A 646 15.697 -0.524 7.353 1.00 25.00 C ATOM 968 O ARG A 646 14.519 -0.889 7.374 1.00 25.00 O ATOM 969 CB ARG A 646 17.174 -2.524 7.029 1.00 25.00 C ATOM 970 CG ARG A 646 16.823 -2.688 8.507 1.00 25.00 C ATOM 971 CD ARG A 646 17.646 -3.789 9.180 1.00 25.00 C ATOM 972 NE ARG A 646 17.622 -3.681 10.647 1.00 25.00 N ATOM 973 CZ ARG A 646 18.365 -2.825 11.365 1.00 25.00 C ATOM 974 NH1 ARG A 646 19.217 -1.987 10.778 1.00 25.00 N ATOM 975 NH2 ARG A 646 18.252 -2.815 12.686 1.00 25.00 N ATOM 0 H ARG A 646 18.726 -0.654 6.493 1.00 25.00 H new ATOM 0 HA ARG A 646 16.173 -1.395 5.472 1.00 25.00 H new ATOM 0 HB2 ARG A 646 16.739 -3.353 6.470 1.00 25.00 H new ATOM 0 HB3 ARG A 646 18.256 -2.595 6.914 1.00 25.00 H new ATOM 0 HG2 ARG A 646 16.991 -1.744 9.025 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.762 -2.920 8.603 1.00 25.00 H new ATOM 0 HD2 ARG A 646 17.259 -4.763 8.883 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.677 -3.735 8.830 1.00 25.00 H new ATOM 0 HE ARG A 646 16.994 -4.303 11.156 1.00 25.00 H new ATOM 0 HH11 ARG A 646 19.315 -1.987 9.763 1.00 25.00 H new ATOM 0 HH12 ARG A 646 19.772 -1.345 11.344 1.00 25.00 H new ATOM 0 HH21 ARG A 646 17.605 -3.454 13.147 1.00 25.00 H new ATOM 0 HH22 ARG A 646 18.812 -2.168 13.241 1.00 25.00 H new ATOM 989 N ASP A 647 16.177 0.451 8.137 1.00 25.00 N ATOM 990 CA ASP A 647 15.313 1.227 9.037 1.00 25.00 C ATOM 991 C ASP A 647 14.589 2.349 8.283 1.00 25.00 C ATOM 992 O ASP A 647 13.518 2.797 8.705 1.00 25.00 O ATOM 993 CB ASP A 647 16.126 1.812 10.199 1.00 25.00 C ATOM 994 CG ASP A 647 16.642 0.748 11.152 1.00 25.00 C ATOM 995 OD1 ASP A 647 16.134 -0.392 11.100 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.552 1.056 11.949 1.00 25.00 O ATOM 0 H ASP A 647 17.160 0.721 8.166 1.00 25.00 H new ATOM 0 HA ASP A 647 14.562 0.547 9.440 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.970 2.375 9.799 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.505 2.518 10.751 1.00 25.00 H new ATOM 1001 N GLU A 648 15.186 2.793 7.165 1.00 25.00 N ATOM 1002 CA GLU A 648 14.586 3.809 6.299 1.00 25.00 C ATOM 1003 C GLU A 648 13.644 3.146 5.283 1.00 25.00 C ATOM 1004 O GLU A 648 12.511 3.589 5.104 1.00 25.00 O ATOM 1005 CB GLU A 648 15.693 4.614 5.590 1.00 25.00 C ATOM 1006 CG GLU A 648 16.626 5.378 6.529 1.00 25.00 C ATOM 1007 CD GLU A 648 15.988 6.632 7.095 1.00 25.00 C ATOM 1008 OE1 GLU A 648 15.670 7.546 6.304 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.808 6.703 8.330 1.00 25.00 O ATOM 0 H GLU A 648 16.093 2.457 6.841 1.00 25.00 H new ATOM 0 HA GLU A 648 13.998 4.499 6.904 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.289 3.931 4.984 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.227 5.323 4.906 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.924 4.725 7.349 1.00 25.00 H new ATOM 0 HG3 GLU A 648 17.535 5.649 5.991 1.00 25.00 H new ATOM 1016 N TYR A 649 14.128 2.064 4.649 1.00 25.00 N ATOM 1017 CA TYR A 649 13.369 1.286 3.652 1.00 25.00 C ATOM 1018 C TYR A 649 12.004 0.824 4.205 1.00 25.00 C ATOM 1019 O TYR A 649 10.963 1.078 3.593 1.00 25.00 O ATOM 1020 CB TYR A 649 14.257 0.096 3.191 1.00 25.00 C ATOM 1021 CG TYR A 649 13.606 -0.927 2.271 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.565 -0.706 0.899 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.038 -2.093 2.765 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.982 -1.614 0.048 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.449 -3.011 1.915 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.424 -2.766 0.558 1.00 25.00 C ATOM 1027 OH TYR A 649 11.838 -3.678 -0.292 1.00 25.00 O ATOM 0 H TYR A 649 15.066 1.701 4.815 1.00 25.00 H new ATOM 0 HA TYR A 649 13.134 1.913 2.792 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.132 0.501 2.684 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.616 -0.425 4.079 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.999 0.196 0.494 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.056 -2.286 3.827 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.961 -1.426 -1.015 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.011 -3.915 2.312 1.00 25.00 H new ATOM 0 HH TYR A 649 10.867 -3.670 -0.161 1.00 25.00 H new ATOM 1037 N TYR A 650 12.038 0.145 5.356 1.00 25.00 N ATOM 1038 CA TYR A 650 10.830 -0.309 6.056 1.00 25.00 C ATOM 1039 C TYR A 650 9.950 0.859 6.543 1.00 25.00 C ATOM 1040 O TYR A 650 8.781 0.657 6.886 1.00 25.00 O ATOM 1041 CB TYR A 650 11.234 -1.195 7.244 1.00 25.00 C ATOM 1042 CG TYR A 650 11.932 -2.480 6.844 1.00 25.00 C ATOM 1043 CD1 TYR A 650 13.018 -2.959 7.573 1.00 25.00 C ATOM 1044 CD2 TYR A 650 11.514 -3.212 5.739 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.660 -4.122 7.216 1.00 25.00 C ATOM 1046 CE2 TYR A 650 12.154 -4.381 5.377 1.00 25.00 C ATOM 1047 CZ TYR A 650 13.225 -4.831 6.119 1.00 25.00 C ATOM 1048 OH TYR A 650 13.859 -5.998 5.766 1.00 25.00 O ATOM 0 H TYR A 650 12.905 -0.106 5.830 1.00 25.00 H new ATOM 0 HA TYR A 650 10.232 -0.878 5.345 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.891 -0.626 7.902 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.342 -1.442 7.820 1.00 25.00 H new ATOM 0 HD1 TYR A 650 13.362 -2.407 8.435 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.676 -2.861 5.155 1.00 25.00 H new ATOM 0 HE1 TYR A 650 14.501 -4.477 7.793 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.817 -4.940 4.517 1.00 25.00 H new ATOM 0 HH TYR A 650 14.223 -6.428 6.568 1.00 25.00 H new ATOM 1058 N HIS A 651 10.519 2.074 6.559 1.00 25.00 N ATOM 1059 CA HIS A 651 9.818 3.260 7.058 1.00 25.00 C ATOM 1060 C HIS A 651 8.882 3.861 5.996 1.00 25.00 C ATOM 1061 O HIS A 651 7.746 4.201 6.318 1.00 25.00 O ATOM 1062 CB HIS A 651 10.839 4.301 7.553 1.00 25.00 C ATOM 1063 CG HIS A 651 10.240 5.582 8.074 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.470 5.637 9.216 1.00 25.00 N ATOM 1065 CD2 HIS A 651 10.267 6.847 7.582 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.047 6.875 9.404 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.518 7.629 8.427 1.00 25.00 N ATOM 0 H HIS A 651 11.467 2.258 6.230 1.00 25.00 H new ATOM 0 HA HIS A 651 9.189 2.956 7.895 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.440 3.851 8.343 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.517 4.541 6.734 1.00 25.00 H new ATOM 0 HD2 HIS A 651 10.782 7.177 6.692 1.00 25.00 H new ATOM 0 HE1 HIS A 651 8.423 7.213 10.218 1.00 25.00 H new ATOM 0 HE2 HIS A 651 9.352 8.630 8.318 1.00 25.00 H new ATOM 1076 N LEU A 652 9.343 3.963 4.728 1.00 25.00 N ATOM 1077 CA LEU A 652 8.539 4.551 3.644 1.00 25.00 C ATOM 1078 C LEU A 652 7.210 3.803 3.399 1.00 25.00 C ATOM 1079 O LEU A 652 6.265 4.387 2.865 1.00 25.00 O ATOM 1080 CB LEU A 652 9.337 4.588 2.324 1.00 25.00 C ATOM 1081 CG LEU A 652 10.601 5.486 2.221 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.377 5.275 0.924 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.259 6.954 2.422 1.00 25.00 C ATOM 0 H LEU A 652 10.267 3.645 4.436 1.00 25.00 H new ATOM 0 HA LEU A 652 8.300 5.563 3.971 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.642 3.566 2.098 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.651 4.898 1.536 1.00 25.00 H new ATOM 0 HG LEU A 652 11.260 5.176 3.032 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.248 5.930 0.911 1.00 25.00 H new ATOM 0 HD12 LEU A 652 11.702 4.237 0.859 1.00 25.00 H new ATOM 0 HD13 LEU A 652 10.735 5.508 0.074 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.166 7.553 2.343 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.548 7.270 1.658 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.817 7.093 3.409 1.00 25.00 H new ATOM 1095 N LEU A 653 7.145 2.521 3.799 1.00 25.00 N ATOM 1096 CA LEU A 653 5.929 1.711 3.627 1.00 25.00 C ATOM 1097 C LEU A 653 4.996 1.886 4.823 1.00 25.00 C ATOM 1098 O LEU A 653 3.780 1.975 4.655 1.00 25.00 O ATOM 1099 CB LEU A 653 6.262 0.221 3.445 1.00 25.00 C ATOM 1100 CG LEU A 653 5.070 -0.744 3.415 1.00 25.00 C ATOM 1101 CD1 LEU A 653 4.226 -0.487 2.183 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.540 -2.187 3.437 1.00 25.00 C ATOM 0 H LEU A 653 7.919 2.026 4.242 1.00 25.00 H new ATOM 0 HA LEU A 653 5.430 2.062 2.724 1.00 25.00 H new ATOM 0 HB2 LEU A 653 6.818 0.106 2.515 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.927 -0.082 4.254 1.00 25.00 H new ATOM 0 HG LEU A 653 4.465 -0.570 4.305 1.00 25.00 H new ATOM 0 HD11 LEU A 653 3.382 -1.177 2.170 1.00 25.00 H new ATOM 0 HD12 LEU A 653 3.857 0.538 2.202 1.00 25.00 H new ATOM 0 HD13 LEU A 653 4.832 -0.638 1.289 1.00 25.00 H new ATOM 0 HD21 LEU A 653 4.676 -2.851 3.415 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.167 -2.379 2.566 1.00 25.00 H new ATOM 0 HD23 LEU A 653 6.115 -2.369 4.345 1.00 25.00 H new ATOM 1114 N ALA A 654 5.585 1.943 6.032 1.00 25.00 N ATOM 1115 CA ALA A 654 4.833 2.203 7.268 1.00 25.00 C ATOM 1116 C ALA A 654 4.325 3.649 7.323 1.00 25.00 C ATOM 1117 O ALA A 654 3.330 3.939 7.997 1.00 25.00 O ATOM 1118 CB ALA A 654 5.693 1.902 8.484 1.00 25.00 C ATOM 0 H ALA A 654 6.586 1.811 6.176 1.00 25.00 H new ATOM 0 HA ALA A 654 3.966 1.543 7.273 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.122 2.099 9.391 1.00 25.00 H new ATOM 0 HB2 ALA A 654 5.995 0.855 8.466 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.580 2.536 8.468 1.00 25.00 H new ATOM 1124 N GLU A 655 5.021 4.549 6.606 1.00 25.00 N ATOM 1125 CA GLU A 655 4.610 5.956 6.493 1.00 25.00 C ATOM 1126 C GLU A 655 3.529 6.130 5.430 1.00 25.00 C ATOM 1127 O GLU A 655 2.625 6.952 5.592 1.00 25.00 O ATOM 1128 CB GLU A 655 5.811 6.866 6.168 1.00 25.00 C ATOM 1129 CG GLU A 655 5.485 8.357 6.084 1.00 25.00 C ATOM 1130 CD GLU A 655 6.704 9.230 5.824 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.813 8.673 5.684 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.546 10.468 5.759 1.00 25.00 O ATOM 0 H GLU A 655 5.874 4.323 6.095 1.00 25.00 H new ATOM 0 HA GLU A 655 4.202 6.250 7.460 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.576 6.719 6.930 1.00 25.00 H new ATOM 0 HB3 GLU A 655 6.242 6.549 5.218 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.757 8.518 5.289 1.00 25.00 H new ATOM 0 HG3 GLU A 655 5.015 8.671 7.016 1.00 25.00 H new ATOM 1139 N LYS A 656 3.628 5.342 4.347 1.00 25.00 N ATOM 1140 CA LYS A 656 2.584 5.293 3.316 1.00 25.00 C ATOM 1141 C LYS A 656 1.350 4.563 3.863 1.00 25.00 C ATOM 1142 O LYS A 656 0.235 4.774 3.391 1.00 25.00 O ATOM 1143 CB LYS A 656 3.104 4.577 2.060 1.00 25.00 C ATOM 1144 CG LYS A 656 4.069 5.398 1.189 1.00 25.00 C ATOM 1145 CD LYS A 656 4.543 4.662 -0.078 1.00 25.00 C ATOM 1146 CE LYS A 656 6.027 4.890 -0.387 1.00 25.00 C ATOM 1147 NZ LYS A 656 6.416 4.405 -1.742 1.00 25.00 N ATOM 0 H LYS A 656 4.423 4.730 4.165 1.00 25.00 H new ATOM 0 HA LYS A 656 2.309 6.312 3.045 1.00 25.00 H new ATOM 0 HB2 LYS A 656 3.608 3.660 2.367 1.00 25.00 H new ATOM 0 HB3 LYS A 656 2.250 4.283 1.450 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.579 6.327 0.896 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.939 5.671 1.786 1.00 25.00 H new ATOM 0 HD2 LYS A 656 4.363 3.594 0.041 1.00 25.00 H new ATOM 0 HD3 LYS A 656 3.946 4.993 -0.928 1.00 25.00 H new ATOM 0 HE2 LYS A 656 6.250 5.954 -0.309 1.00 25.00 H new ATOM 0 HE3 LYS A 656 6.632 4.381 0.364 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 7.444 4.506 -1.865 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 6.152 3.404 -1.841 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.924 4.966 -2.466 1.00 25.00 H new ATOM 1161 N ILE A 657 1.576 3.735 4.897 1.00 25.00 N ATOM 1162 CA ILE A 657 0.507 3.005 5.587 1.00 25.00 C ATOM 1163 C ILE A 657 -0.324 3.971 6.457 1.00 25.00 C ATOM 1164 O ILE A 657 -1.519 3.755 6.661 1.00 25.00 O ATOM 1165 CB ILE A 657 1.114 1.808 6.420 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.114 0.530 5.540 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.393 1.566 7.762 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.084 -0.575 5.962 1.00 25.00 C ATOM 0 H ILE A 657 2.506 3.555 5.275 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.172 2.572 4.853 1.00 25.00 H new ATOM 0 HB ILE A 657 2.136 2.075 6.689 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.105 0.117 5.533 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.347 0.819 4.515 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.862 0.730 8.281 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.463 2.462 8.379 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.656 1.335 7.575 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.997 -1.417 5.276 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.104 -0.192 5.939 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.843 -0.904 6.973 1.00 25.00 H new ATOM 1180 N TYR A 658 0.323 5.031 6.949 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.339 6.024 7.794 1.00 25.00 C ATOM 1182 C TYR A 658 -1.048 7.094 6.943 1.00 25.00 C ATOM 1183 O TYR A 658 -2.075 7.637 7.355 1.00 25.00 O ATOM 1184 CB TYR A 658 0.689 6.679 8.727 1.00 25.00 C ATOM 1185 CG TYR A 658 1.306 5.737 9.750 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.685 5.678 9.926 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.510 4.911 10.538 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.251 4.824 10.855 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.070 4.056 11.468 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.439 4.017 11.623 1.00 25.00 C ATOM 1191 OH TYR A 658 2.998 3.167 12.548 1.00 25.00 O ATOM 0 H TYR A 658 1.310 5.223 6.774 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.097 5.518 8.392 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.487 7.110 8.122 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.208 7.503 9.255 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.324 6.310 9.327 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.563 4.939 10.421 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.323 4.790 10.978 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.438 3.421 12.071 1.00 25.00 H new ATOM 0 HH TYR A 658 2.289 2.670 13.006 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.488 7.375 5.753 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.017 8.416 4.846 1.00 25.00 C ATOM 1203 C LYS A 659 -2.271 7.956 4.103 1.00 25.00 C ATOM 1204 O LYS A 659 -3.169 8.761 3.839 1.00 25.00 O ATOM 1205 CB LYS A 659 0.047 8.852 3.828 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.377 9.990 2.891 1.00 25.00 C ATOM 1207 CD LYS A 659 0.722 10.431 1.908 1.00 25.00 C ATOM 1208 CE LYS A 659 0.298 11.581 1.003 1.00 25.00 C ATOM 1209 NZ LYS A 659 -0.646 11.163 -0.076 1.00 25.00 N ATOM 0 H LYS A 659 0.336 6.894 5.393 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.288 9.264 5.476 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.940 9.162 4.370 1.00 25.00 H new ATOM 0 HB3 LYS A 659 0.324 7.989 3.223 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -1.252 9.673 2.324 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -0.679 10.848 3.491 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.606 10.729 2.472 1.00 25.00 H new ATOM 0 HD3 LYS A 659 1.010 9.580 1.291 1.00 25.00 H new ATOM 0 HE2 LYS A 659 -0.172 12.356 1.608 1.00 25.00 H new ATOM 0 HE3 LYS A 659 1.185 12.024 0.550 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 -0.897 11.988 -0.657 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 -0.193 10.443 -0.674 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 -1.507 10.766 0.351 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.324 6.660 3.766 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.506 6.065 3.119 1.00 25.00 C ATOM 1225 C ILE A 660 -4.647 5.921 4.148 1.00 25.00 C ATOM 1226 O ILE A 660 -5.827 6.039 3.806 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.171 4.684 2.462 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.149 4.867 1.319 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.445 4.017 1.928 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -1.592 3.567 0.751 1.00 25.00 C ATOM 0 H ILE A 660 -1.562 6.002 3.930 1.00 25.00 H new ATOM 0 HA ILE A 660 -3.829 6.731 2.319 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.735 4.039 3.225 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -2.622 5.427 0.513 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.320 5.473 1.684 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.191 3.058 1.475 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.144 3.857 2.749 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -4.907 4.661 1.180 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -0.883 3.792 -0.046 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.086 3.012 1.541 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.408 2.965 0.351 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.261 5.671 5.405 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.190 5.628 6.543 1.00 25.00 C ATOM 1244 C GLN A 661 -5.790 7.012 6.860 1.00 25.00 C ATOM 1245 O GLN A 661 -6.835 7.105 7.512 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.473 5.068 7.778 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.238 3.551 7.742 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.300 3.004 8.822 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.817 3.764 9.665 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.051 1.696 8.832 1.00 25.00 N ATOM 0 H GLN A 661 -3.291 5.492 5.664 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.017 4.974 6.268 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.511 5.570 7.883 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.058 5.312 8.665 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.201 3.049 7.834 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.833 3.287 6.765 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.465 1.093 8.121 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.446 1.297 9.550 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.118 8.077 6.390 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.606 9.461 6.539 1.00 25.00 C ATOM 1261 C LYS A 662 -6.796 9.748 5.612 1.00 25.00 C ATOM 1262 O LYS A 662 -7.725 10.468 5.989 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.490 10.475 6.238 1.00 25.00 C ATOM 1264 CG LYS A 662 -4.862 11.962 6.406 1.00 25.00 C ATOM 1265 CD LYS A 662 -3.786 12.945 5.925 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.208 14.386 6.099 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.331 14.763 5.196 1.00 25.00 N ATOM 0 H LYS A 662 -4.227 8.005 5.899 1.00 25.00 H new ATOM 0 HA LYS A 662 -5.930 9.567 7.574 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.644 10.257 6.889 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.152 10.319 5.213 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -5.785 12.157 5.859 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.068 12.155 7.459 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -2.863 12.769 6.478 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.568 12.757 4.874 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.507 14.552 7.134 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.356 15.037 5.905 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.494 15.789 5.254 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -5.091 14.505 4.217 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -6.193 14.259 5.485 1.00 25.00 H new ATOM 1281 N GLU A 663 -6.749 9.173 4.400 1.00 25.00 N ATOM 1282 CA GLU A 663 -7.768 9.383 3.360 1.00 25.00 C ATOM 1283 C GLU A 663 -9.096 8.717 3.733 1.00 25.00 C ATOM 1284 O GLU A 663 -10.159 9.339 3.637 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.281 8.812 2.018 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.110 9.564 1.402 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.426 11.020 1.122 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -7.413 11.287 0.402 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.685 11.894 1.617 1.00 25.00 O ATOM 0 H GLU A 663 -5.998 8.545 4.112 1.00 25.00 H new ATOM 0 HA GLU A 663 -7.929 10.457 3.272 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -6.992 7.771 2.163 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.112 8.817 1.312 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.254 9.506 2.074 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -5.819 9.075 0.472 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.016 7.446 4.157 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.196 6.670 4.582 1.00 25.00 C ATOM 1298 C LEU A 664 -10.810 7.197 5.891 1.00 25.00 C ATOM 1299 O LEU A 664 -11.967 6.898 6.201 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.846 5.169 4.743 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.371 4.390 3.484 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -8.997 2.946 3.812 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.407 4.431 2.367 1.00 25.00 C ATOM 0 H LEU A 664 -8.139 6.929 4.215 1.00 25.00 H new ATOM 0 HA LEU A 664 -10.939 6.788 3.793 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.066 5.088 5.500 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.726 4.661 5.137 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.473 4.896 3.130 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.671 2.439 2.904 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.188 2.937 4.543 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.864 2.430 4.224 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.036 3.875 1.506 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.336 3.981 2.716 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.591 5.466 2.079 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.027 7.974 6.654 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.493 8.565 7.916 1.00 25.00 C ATOM 1317 C GLU A 665 -11.297 9.857 7.660 1.00 25.00 C ATOM 1318 O GLU A 665 -12.059 10.300 8.527 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.289 8.839 8.832 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.648 9.370 10.218 1.00 25.00 C ATOM 1321 CD GLU A 665 -10.194 8.292 11.134 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -10.112 7.101 10.766 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -10.704 8.638 12.221 1.00 25.00 O ATOM 0 H GLU A 665 -9.063 8.208 6.417 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.160 7.859 8.410 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.721 7.916 8.948 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -8.633 9.558 8.341 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -8.763 9.814 10.673 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -10.387 10.165 10.118 1.00 25.00 H new ATOM 1694 N SER B 536 -8.887 9.039 -5.118 1.00 25.00 N ATOM 1695 CA SER B 536 -10.141 8.866 -5.858 1.00 25.00 C ATOM 1696 C SER B 536 -10.454 7.387 -6.123 1.00 25.00 C ATOM 1697 O SER B 536 -11.624 7.006 -6.189 1.00 25.00 O ATOM 1698 CB SER B 536 -10.080 9.639 -7.173 1.00 25.00 C ATOM 1699 OG SER B 536 -9.030 9.169 -8.005 1.00 25.00 O ATOM 0 HA SER B 536 -10.947 9.262 -5.240 1.00 25.00 H new ATOM 0 HB2 SER B 536 -11.031 9.543 -7.697 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.935 10.699 -6.966 1.00 25.00 H new ATOM 0 HG SER B 536 -8.277 8.879 -7.449 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.405 6.564 -6.268 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.566 5.145 -6.631 1.00 25.00 C ATOM 1707 C ILE B 537 -9.788 4.258 -5.393 1.00 25.00 C ATOM 1708 O ILE B 537 -10.508 3.260 -5.476 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.342 4.617 -7.465 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.146 5.422 -8.786 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.449 3.112 -7.767 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.876 5.111 -9.584 1.00 25.00 C ATOM 0 H ILE B 537 -8.436 6.855 -6.140 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.458 5.084 -7.255 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.462 4.771 -6.840 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.008 5.241 -9.429 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.147 6.485 -8.543 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.581 2.794 -8.345 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.486 2.555 -6.831 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.356 2.919 -8.340 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.849 5.730 -10.480 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.000 5.322 -8.970 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.874 4.059 -9.870 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.181 4.626 -4.256 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.274 3.811 -3.037 1.00 25.00 C ATOM 1726 C ALA B 538 -10.575 4.048 -2.268 1.00 25.00 C ATOM 1727 O ALA B 538 -10.908 3.300 -1.344 1.00 25.00 O ATOM 1728 CB ALA B 538 -8.065 4.037 -2.142 1.00 25.00 C ATOM 0 H ALA B 538 -8.625 5.475 -4.155 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.283 2.768 -3.355 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -8.156 3.423 -1.246 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -7.158 3.762 -2.680 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -8.014 5.088 -1.858 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.292 5.091 -2.666 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.613 5.405 -2.109 1.00 25.00 C ATOM 1736 C ASP B 539 -13.717 4.874 -3.040 1.00 25.00 C ATOM 1737 O ASP B 539 -14.885 4.780 -2.649 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.742 6.925 -1.886 1.00 25.00 C ATOM 1739 CG ASP B 539 -14.001 7.326 -1.131 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -14.195 6.836 0.000 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -14.788 8.129 -1.675 1.00 25.00 O ATOM 0 H ASP B 539 -10.980 5.746 -3.383 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.727 4.914 -1.143 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -11.870 7.278 -1.335 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -12.733 7.428 -2.853 1.00 25.00 H new ATOM 1746 N MET B 540 -13.316 4.527 -4.267 1.00 25.00 N ATOM 1747 CA MET B 540 -14.197 3.883 -5.245 1.00 25.00 C ATOM 1748 C MET B 540 -14.106 2.359 -5.144 1.00 25.00 C ATOM 1749 O MET B 540 -15.063 1.647 -5.462 1.00 25.00 O ATOM 1750 CB MET B 540 -13.814 4.323 -6.659 1.00 25.00 C ATOM 1751 CG MET B 540 -14.243 5.746 -7.005 1.00 25.00 C ATOM 1752 SD MET B 540 -13.694 6.285 -8.644 1.00 25.00 S ATOM 1753 CE MET B 540 -14.677 5.251 -9.735 1.00 25.00 C ATOM 0 H MET B 540 -12.369 4.685 -4.610 1.00 25.00 H new ATOM 0 HA MET B 540 -15.222 4.186 -5.030 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.733 4.243 -6.773 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.262 3.635 -7.376 1.00 25.00 H new ATOM 0 HG2 MET B 540 -15.330 5.812 -6.954 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.847 6.430 -6.254 1.00 25.00 H new ATOM 0 HE1 MET B 540 -14.542 5.578 -10.766 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.357 4.213 -9.639 1.00 25.00 H new ATOM 0 HE3 MET B 540 -15.729 5.333 -9.463 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.941 1.877 -4.693 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.670 0.445 -4.570 1.00 25.00 C ATOM 1765 C ASP B 541 -13.015 -0.079 -3.163 1.00 25.00 C ATOM 1766 O ASP B 541 -13.209 -1.286 -2.986 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.197 0.173 -4.903 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.882 0.293 -6.385 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.831 0.299 -7.196 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.685 0.381 -6.732 1.00 25.00 O ATOM 0 H ASP B 541 -12.163 2.470 -4.404 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.306 -0.088 -5.277 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.571 0.872 -4.348 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.934 -0.829 -4.563 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.099 0.829 -2.171 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.405 0.443 -0.783 1.00 25.00 C ATOM 1777 C PHE B 542 -14.902 0.131 -0.609 1.00 25.00 C ATOM 1778 O PHE B 542 -15.281 -0.648 0.271 1.00 25.00 O ATOM 1779 CB PHE B 542 -12.983 1.566 0.177 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.122 1.232 1.643 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.187 0.433 2.287 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.202 1.707 2.371 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.329 0.118 3.626 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.347 1.399 3.708 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.409 0.602 4.337 1.00 25.00 C ATOM 0 H PHE B 542 -12.960 1.830 -2.306 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.844 -0.462 -0.549 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -11.944 1.826 -0.025 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.581 2.452 -0.038 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.339 0.053 1.736 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -14.940 2.327 1.885 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.596 -0.506 4.115 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.192 1.780 4.262 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.521 0.358 5.383 1.00 25.00 H new ATOM 1795 N SER B 543 -15.738 0.749 -1.458 1.00 25.00 N ATOM 1796 CA SER B 543 -17.189 0.527 -1.447 1.00 25.00 C ATOM 1797 C SER B 543 -17.568 -0.752 -2.209 1.00 25.00 C ATOM 1798 O SER B 543 -18.628 -1.337 -1.961 1.00 25.00 O ATOM 1799 CB SER B 543 -17.906 1.738 -2.053 1.00 25.00 C ATOM 1800 OG SER B 543 -17.543 1.931 -3.411 1.00 25.00 O ATOM 0 H SER B 543 -15.427 1.413 -2.167 1.00 25.00 H new ATOM 0 HA SER B 543 -17.504 0.401 -0.411 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.984 1.598 -1.980 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.661 2.632 -1.479 1.00 25.00 H new ATOM 0 HG SER B 543 -18.018 2.710 -3.769 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.691 -1.174 -3.133 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.907 -2.381 -3.936 1.00 25.00 C ATOM 1808 C ALA B 544 -16.452 -3.649 -3.201 1.00 25.00 C ATOM 1809 O ALA B 544 -16.922 -4.748 -3.505 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.186 -2.256 -5.270 1.00 25.00 C ATOM 0 H ALA B 544 -15.818 -0.689 -3.342 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.979 -2.474 -4.111 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.352 -3.158 -5.859 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.571 -1.392 -5.812 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.118 -2.129 -5.096 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.538 -3.478 -2.230 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.003 -4.588 -1.436 1.00 25.00 C ATOM 1818 C LEU B 545 -15.943 -4.994 -0.289 1.00 25.00 C ATOM 1819 O LEU B 545 -15.789 -6.076 0.288 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.628 -4.200 -0.879 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.470 -4.200 -1.894 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.234 -3.528 -1.318 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.115 -5.624 -2.319 1.00 25.00 C ATOM 0 H LEU B 545 -15.153 -2.568 -1.977 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.911 -5.452 -2.094 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.702 -3.205 -0.441 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.377 -4.887 -0.070 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.806 -3.638 -2.765 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.433 -3.543 -2.058 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.469 -2.496 -1.059 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.912 -4.063 -0.424 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.294 -5.596 -3.036 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.813 -6.200 -1.444 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.984 -6.093 -2.780 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.916 -4.123 0.033 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.919 -4.412 1.074 1.00 25.00 C ATOM 1837 C LEU B 546 -19.049 -5.276 0.511 1.00 25.00 C ATOM 1838 O LEU B 546 -19.515 -6.214 1.164 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.503 -3.108 1.656 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.545 -2.237 2.482 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.206 -0.913 2.832 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.116 -2.953 3.753 1.00 25.00 C ATOM 0 H LEU B 546 -17.029 -3.213 -0.413 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.418 -4.958 1.873 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.885 -2.507 0.831 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.356 -3.366 2.283 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.658 -2.046 1.878 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.516 -0.305 3.418 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.468 -0.384 1.916 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.109 -1.100 3.414 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.438 -2.314 4.319 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -17.994 -3.177 4.359 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.608 -3.882 3.494 1.00 25.00 H new ATOM 1854 N SER B 547 -19.475 -4.935 -0.708 1.00 25.00 N ATOM 1855 CA SER B 547 -20.480 -5.707 -1.453 1.00 25.00 C ATOM 1856 C SER B 547 -19.871 -6.991 -2.049 1.00 25.00 C ATOM 1857 O SER B 547 -20.598 -7.906 -2.449 1.00 25.00 O ATOM 1858 CB SER B 547 -21.085 -4.839 -2.566 1.00 25.00 C ATOM 1859 OG SER B 547 -20.103 -4.446 -3.512 1.00 25.00 O ATOM 0 H SER B 547 -19.134 -4.115 -1.209 1.00 25.00 H new ATOM 0 HA SER B 547 -21.266 -6.002 -0.759 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.877 -5.393 -3.071 1.00 25.00 H new ATOM 0 HB3 SER B 547 -21.545 -3.953 -2.128 1.00 25.00 H new ATOM 0 HG SER B 547 -19.212 -4.667 -3.170 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.529 -7.039 -2.093 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.781 -8.166 -2.668 1.00 25.00 C ATOM 1867 C GLN B 548 -17.768 -9.384 -1.730 1.00 25.00 C ATOM 1868 O GLN B 548 -17.613 -10.524 -2.177 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.347 -7.710 -2.973 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.472 -8.742 -3.671 1.00 25.00 C ATOM 1871 CD GLN B 548 -16.120 -9.354 -4.905 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -16.877 -8.693 -5.616 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -15.824 -10.624 -5.163 1.00 25.00 N ATOM 0 H GLN B 548 -17.933 -6.295 -1.730 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.277 -8.477 -3.587 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.392 -6.816 -3.594 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.867 -7.424 -2.037 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -14.531 -8.273 -3.959 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.229 -9.537 -2.966 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -15.192 -11.135 -4.547 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -16.229 -11.087 -5.977 1.00 25.00 H new ATOM 1882 N ILE B 549 -17.937 -9.114 -0.442 1.00 25.00 N ATOM 1883 CA ILE B 549 -17.932 -10.158 0.599 1.00 25.00 C ATOM 1884 C ILE B 549 -19.350 -10.511 1.074 1.00 25.00 C ATOM 1885 O ILE B 549 -19.601 -11.644 1.495 1.00 25.00 O ATOM 1886 CB ILE B 549 -17.047 -9.773 1.826 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -15.555 -9.610 1.433 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -17.216 -10.819 2.931 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -14.800 -8.557 2.229 1.00 25.00 C ATOM 0 H ILE B 549 -18.082 -8.171 -0.081 1.00 25.00 H new ATOM 0 HA ILE B 549 -17.496 -11.038 0.127 1.00 25.00 H new ATOM 0 HB ILE B 549 -17.381 -8.805 2.199 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -15.053 -10.570 1.558 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -15.498 -9.356 0.375 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -16.597 -10.548 3.786 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -18.261 -10.859 3.237 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -16.910 -11.796 2.557 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -13.766 -8.513 1.886 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -15.272 -7.585 2.085 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -14.820 -8.817 3.287 1.00 25.00 H new ATOM 1901 N SER B 550 -20.266 -9.535 0.998 1.00 25.00 N ATOM 1902 CA SER B 550 -21.655 -9.725 1.435 1.00 25.00 C ATOM 1903 C SER B 550 -22.561 -10.169 0.280 1.00 25.00 C ATOM 1904 O SER B 550 -23.601 -10.792 0.510 1.00 25.00 O ATOM 1905 CB SER B 550 -22.195 -8.432 2.056 1.00 25.00 C ATOM 1906 OG SER B 550 -22.240 -7.384 1.102 1.00 25.00 O ATOM 0 H SER B 550 -20.068 -8.602 0.636 1.00 25.00 H new ATOM 0 HA SER B 550 -21.658 -10.517 2.183 1.00 25.00 H new ATOM 0 HB2 SER B 550 -23.194 -8.607 2.455 1.00 25.00 H new ATOM 0 HB3 SER B 550 -21.564 -8.137 2.894 1.00 25.00 H new ATOM 0 HG SER B 550 -21.400 -6.880 1.130 1.00 25.00 H new ATOM 1912 N SER B 551 -22.146 -9.843 -0.967 1.00 25.00 N ATOM 1913 CA SER B 551 -22.881 -10.185 -2.212 1.00 25.00 C ATOM 1914 C SER B 551 -24.350 -9.723 -2.181 1.00 25.00 C ATOM 1915 O SER B 551 -24.639 -8.654 -2.756 1.00 25.00 O ATOM 1916 CB SER B 551 -22.781 -11.694 -2.537 1.00 25.00 C ATOM 1917 OG SER B 551 -21.441 -12.098 -2.769 1.00 25.00 O ATOM 1918 OXT SER B 551 -25.192 -10.425 -1.576 1.00 25.00 O ATOM 0 H SER B 551 -21.282 -9.329 -1.141 1.00 25.00 H new ATOM 0 HA SER B 551 -22.392 -9.633 -3.015 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.196 -12.271 -1.711 1.00 25.00 H new ATOM 0 HB3 SER B 551 -23.385 -11.917 -3.417 1.00 25.00 H new ATOM 0 HG SER B 551 -21.418 -13.057 -2.969 1.00 25.00 H new