USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 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 601 SER OG : rot -25:sc= 1.17 USER MOD Set 1.2: A 602 HIS : no HD1:sc= -0.0169 X(o=1.2,f=1.1) USER MOD Single : A 592 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-1.9) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -140:sc= 0.34 USER MOD Single : A 597 GLN : amide:sc= -0.667 K(o=-0.67,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 609 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.4) USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 149:sc= -0.0592 (180deg=-0.56) USER MOD Single : A 627 ASN : amide:sc= -0.0203 K(o=-0.02,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl -177:sc=-0.000324 (180deg=-0.00381) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= -0.522 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 180:sc= 0 USER MOD Single : A 650 TYR OH : rot 30:sc= -3.28! USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -109:sc= 0.96 (180deg=0.00708) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 662 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00632) USER MOD Single : B 536 SER OG : rot -38:sc= 0.0479 USER MOD Single : B 540 MET CE :methyl 171:sc= 0 (180deg=-0.0825) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -52:sc= 0.0586 USER MOD Single : B 548 GLN : amide:sc= -0.687 K(o=-0.69,f=-1.2) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot -4:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.321 -5.867 2.101 1.00 25.00 N ATOM 73 CA GLY A 590 23.964 -6.659 3.276 1.00 25.00 C ATOM 74 C GLY A 590 22.461 -6.864 3.418 1.00 25.00 C ATOM 75 O GLY A 590 22.015 -7.860 3.994 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.454 -7.631 3.216 1.00 25.00 H new ATOM 0 HA3 GLY A 590 24.344 -6.165 4.170 1.00 25.00 H new ATOM 79 N TRP A 591 21.691 -5.907 2.882 1.00 25.00 N ATOM 80 CA TRP A 591 20.225 -5.906 2.980 1.00 25.00 C ATOM 81 C TRP A 591 19.563 -6.757 1.890 1.00 25.00 C ATOM 82 O TRP A 591 18.473 -7.292 2.098 1.00 25.00 O ATOM 83 CB TRP A 591 19.679 -4.458 2.970 1.00 25.00 C ATOM 84 CG TRP A 591 19.966 -3.621 1.733 1.00 25.00 C ATOM 85 CD1 TRP A 591 21.044 -2.807 1.496 1.00 25.00 C ATOM 86 CD2 TRP A 591 19.113 -3.485 0.583 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.926 -2.206 0.265 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.748 -2.602 -0.313 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.875 -4.036 0.219 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.189 -2.258 -1.543 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.325 -3.690 -1.000 1.00 25.00 C ATOM 92 CH2 TRP A 591 17.979 -2.809 -1.867 1.00 25.00 C ATOM 0 H TRP A 591 22.068 -5.111 2.368 1.00 25.00 H new ATOM 0 HA TRP A 591 19.966 -6.368 3.933 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.598 -4.502 3.106 1.00 25.00 H new ATOM 0 HB3 TRP A 591 20.088 -3.936 3.835 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.868 -2.659 2.179 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.605 -1.569 -0.151 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.361 -4.718 0.880 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.693 -1.581 -2.216 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.372 -4.108 -1.289 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.520 -2.558 -2.812 1.00 25.00 H new ATOM 103 N HIS A 592 20.233 -6.888 0.741 1.00 25.00 N ATOM 104 CA HIS A 592 19.760 -7.756 -0.352 1.00 25.00 C ATOM 105 C HIS A 592 19.963 -9.248 -0.008 1.00 25.00 C ATOM 106 O HIS A 592 19.400 -10.125 -0.672 1.00 25.00 O ATOM 107 CB HIS A 592 20.492 -7.399 -1.659 1.00 25.00 C ATOM 108 CG HIS A 592 21.333 -8.508 -2.231 1.00 25.00 C ATOM 109 ND1 HIS A 592 20.799 -9.576 -2.924 1.00 25.00 N ATOM 110 CD2 HIS A 592 22.674 -8.712 -2.210 1.00 25.00 C ATOM 111 CE1 HIS A 592 21.771 -10.387 -3.301 1.00 25.00 C ATOM 112 NE2 HIS A 592 22.918 -9.885 -2.882 1.00 25.00 N ATOM 0 H HIS A 592 21.108 -6.404 0.539 1.00 25.00 H new ATOM 0 HA HIS A 592 18.691 -7.589 -0.485 1.00 25.00 H new ATOM 0 HB2 HIS A 592 19.754 -7.100 -2.403 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.130 -6.534 -1.478 1.00 25.00 H new ATOM 0 HD2 HIS A 592 23.412 -8.071 -1.751 1.00 25.00 H new ATOM 0 HE1 HIS A 592 21.648 -11.305 -3.857 1.00 25.00 H new ATOM 0 HE2 HIS A 592 23.837 -10.301 -3.033 1.00 25.00 H new ATOM 121 N GLU A 593 20.760 -9.517 1.039 1.00 25.00 N ATOM 122 CA GLU A 593 21.049 -10.888 1.477 1.00 25.00 C ATOM 123 C GLU A 593 19.931 -11.459 2.359 1.00 25.00 C ATOM 124 O GLU A 593 19.673 -12.666 2.326 1.00 25.00 O ATOM 125 CB GLU A 593 22.390 -10.947 2.224 1.00 25.00 C ATOM 126 CG GLU A 593 23.608 -10.637 1.359 1.00 25.00 C ATOM 127 CD GLU A 593 24.928 -10.731 2.111 1.00 25.00 C ATOM 128 OE1 GLU A 593 25.105 -9.986 3.097 1.00 25.00 O ATOM 129 OE2 GLU A 593 25.781 -11.551 1.711 1.00 25.00 O ATOM 0 H GLU A 593 21.217 -8.797 1.599 1.00 25.00 H new ATOM 0 HA GLU A 593 21.111 -11.504 0.580 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.361 -10.242 3.055 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.509 -11.941 2.654 1.00 25.00 H new ATOM 0 HG2 GLU A 593 23.630 -11.327 0.516 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.505 -9.633 0.947 1.00 25.00 H new ATOM 136 N HIS A 594 19.271 -10.589 3.142 1.00 25.00 N ATOM 137 CA HIS A 594 18.151 -11.014 3.992 1.00 25.00 C ATOM 138 C HIS A 594 16.788 -10.709 3.361 1.00 25.00 C ATOM 139 O HIS A 594 15.795 -11.357 3.710 1.00 25.00 O ATOM 140 CB HIS A 594 18.224 -10.413 5.412 1.00 25.00 C ATOM 141 CG HIS A 594 19.434 -10.772 6.222 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.668 -12.046 6.695 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.443 -10.008 6.690 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.769 -12.048 7.422 1.00 25.00 C ATOM 145 NE2 HIS A 594 21.259 -10.823 7.435 1.00 25.00 N ATOM 0 H HIS A 594 19.493 -9.595 3.203 1.00 25.00 H new ATOM 0 HA HIS A 594 18.249 -12.096 4.079 1.00 25.00 H new ATOM 0 HB2 HIS A 594 18.178 -9.327 5.327 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.337 -10.727 5.963 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.583 -8.952 6.512 1.00 25.00 H new ATOM 0 HE1 HIS A 594 21.196 -12.905 7.921 1.00 25.00 H new ATOM 0 HE2 HIS A 594 22.107 -10.529 7.920 1.00 25.00 H new ATOM 154 N VAL A 595 16.731 -9.731 2.437 1.00 25.00 N ATOM 155 CA VAL A 595 15.479 -9.436 1.726 1.00 25.00 C ATOM 156 C VAL A 595 15.284 -10.447 0.588 1.00 25.00 C ATOM 157 O VAL A 595 16.157 -10.612 -0.271 1.00 25.00 O ATOM 158 CB VAL A 595 15.416 -7.966 1.187 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.197 -7.725 0.289 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.378 -6.986 2.346 1.00 25.00 C ATOM 0 H VAL A 595 17.522 -9.144 2.171 1.00 25.00 H new ATOM 0 HA VAL A 595 14.663 -9.530 2.443 1.00 25.00 H new ATOM 0 HB VAL A 595 16.313 -7.810 0.587 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.200 -6.692 -0.058 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.239 -8.396 -0.569 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.285 -7.915 0.855 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.334 -5.968 1.960 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.497 -7.180 2.958 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.275 -7.106 2.953 1.00 25.00 H new ATOM 170 N THR A 596 14.129 -11.110 0.606 1.00 25.00 N ATOM 171 CA THR A 596 13.803 -12.153 -0.367 1.00 25.00 C ATOM 172 C THR A 596 12.665 -11.721 -1.289 1.00 25.00 C ATOM 173 O THR A 596 12.190 -10.582 -1.215 1.00 25.00 O ATOM 174 CB THR A 596 13.403 -13.476 0.337 1.00 25.00 C ATOM 175 OG1 THR A 596 12.207 -13.288 1.105 1.00 25.00 O ATOM 176 CG2 THR A 596 14.512 -13.989 1.238 1.00 25.00 C ATOM 0 H THR A 596 13.394 -10.941 1.293 1.00 25.00 H new ATOM 0 HA THR A 596 14.702 -12.318 -0.961 1.00 25.00 H new ATOM 0 HB THR A 596 13.226 -14.220 -0.440 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.284 -13.772 1.954 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.194 -14.917 1.714 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.407 -14.173 0.644 1.00 25.00 H new ATOM 0 HG23 THR A 596 14.732 -13.245 2.004 1.00 25.00 H new ATOM 184 N GLN A 597 12.238 -12.643 -2.162 1.00 25.00 N ATOM 185 CA GLN A 597 11.005 -12.479 -2.934 1.00 25.00 C ATOM 186 C GLN A 597 9.783 -12.744 -2.039 1.00 25.00 C ATOM 187 O GLN A 597 8.659 -12.353 -2.372 1.00 25.00 O ATOM 188 CB GLN A 597 10.980 -13.420 -4.153 1.00 25.00 C ATOM 189 CG GLN A 597 12.001 -13.092 -5.250 1.00 25.00 C ATOM 190 CD GLN A 597 11.967 -14.024 -6.465 1.00 25.00 C ATOM 191 OE1 GLN A 597 12.799 -13.906 -7.365 1.00 25.00 O ATOM 192 NE2 GLN A 597 10.992 -14.931 -6.517 1.00 25.00 N ATOM 0 H GLN A 597 12.734 -13.514 -2.350 1.00 25.00 H new ATOM 0 HA GLN A 597 10.969 -11.452 -3.299 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.155 -14.439 -3.809 1.00 25.00 H new ATOM 0 HB3 GLN A 597 9.981 -13.397 -4.589 1.00 25.00 H new ATOM 0 HG2 GLN A 597 11.831 -12.070 -5.590 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.000 -13.122 -4.816 1.00 25.00 H new ATOM 0 HE21 GLN A 597 10.320 -15.001 -5.753 1.00 25.00 H new ATOM 0 HE22 GLN A 597 10.918 -15.555 -7.320 1.00 25.00 H new ATOM 201 N ASP A 598 10.026 -13.416 -0.896 1.00 25.00 N ATOM 202 CA ASP A 598 8.974 -13.747 0.067 1.00 25.00 C ATOM 203 C ASP A 598 8.668 -12.573 1.008 1.00 25.00 C ATOM 204 O ASP A 598 7.511 -12.389 1.398 1.00 25.00 O ATOM 205 CB ASP A 598 9.371 -14.983 0.880 1.00 25.00 C ATOM 206 CG ASP A 598 9.316 -16.265 0.068 1.00 25.00 C ATOM 207 OD1 ASP A 598 8.624 -16.281 -0.972 1.00 25.00 O ATOM 208 OD2 ASP A 598 9.966 -17.252 0.473 1.00 25.00 O ATOM 0 H ASP A 598 10.954 -13.740 -0.622 1.00 25.00 H new ATOM 0 HA ASP A 598 8.067 -13.961 -0.499 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.380 -14.848 1.269 1.00 25.00 H new ATOM 0 HB3 ASP A 598 8.708 -15.075 1.740 1.00 25.00 H new ATOM 213 N LEU A 599 9.702 -11.783 1.379 1.00 25.00 N ATOM 214 CA LEU A 599 9.495 -10.569 2.186 1.00 25.00 C ATOM 215 C LEU A 599 8.677 -9.522 1.427 1.00 25.00 C ATOM 216 O LEU A 599 7.705 -8.998 1.961 1.00 25.00 O ATOM 217 CB LEU A 599 10.835 -9.946 2.647 1.00 25.00 C ATOM 218 CG LEU A 599 10.748 -8.655 3.489 1.00 25.00 C ATOM 219 CD1 LEU A 599 10.274 -8.990 4.888 1.00 25.00 C ATOM 220 CD2 LEU A 599 12.086 -7.934 3.611 1.00 25.00 C ATOM 0 H LEU A 599 10.675 -11.965 1.134 1.00 25.00 H new ATOM 0 HA LEU A 599 8.937 -10.879 3.069 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.376 -10.694 3.227 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.434 -9.734 1.761 1.00 25.00 H new ATOM 0 HG LEU A 599 10.049 -7.997 2.973 1.00 25.00 H new ATOM 0 HD11 LEU A 599 10.214 -8.077 5.480 1.00 25.00 H new ATOM 0 HD12 LEU A 599 9.290 -9.455 4.837 1.00 25.00 H new ATOM 0 HD13 LEU A 599 10.977 -9.679 5.355 1.00 25.00 H new ATOM 0 HD21 LEU A 599 11.961 -7.035 4.214 1.00 25.00 H new ATOM 0 HD22 LEU A 599 12.812 -8.592 4.088 1.00 25.00 H new ATOM 0 HD23 LEU A 599 12.443 -7.659 2.619 1.00 25.00 H new ATOM 232 N ARG A 600 9.046 -9.265 0.160 1.00 25.00 N ATOM 233 CA ARG A 600 8.396 -8.223 -0.658 1.00 25.00 C ATOM 234 C ARG A 600 6.882 -8.472 -0.836 1.00 25.00 C ATOM 235 O ARG A 600 6.121 -7.536 -1.091 1.00 25.00 O ATOM 236 CB ARG A 600 9.099 -8.096 -2.033 1.00 25.00 C ATOM 237 CG ARG A 600 10.596 -7.780 -1.975 1.00 25.00 C ATOM 238 CD ARG A 600 11.291 -8.057 -3.305 1.00 25.00 C ATOM 239 NE ARG A 600 10.920 -7.084 -4.345 1.00 25.00 N ATOM 240 CZ ARG A 600 11.649 -6.817 -5.439 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.809 -7.433 -5.664 1.00 25.00 N ATOM 242 NH2 ARG A 600 11.212 -5.922 -6.314 1.00 25.00 N ATOM 0 H ARG A 600 9.793 -9.765 -0.322 1.00 25.00 H new ATOM 0 HA ARG A 600 8.499 -7.281 -0.120 1.00 25.00 H new ATOM 0 HB2 ARG A 600 8.962 -9.029 -2.580 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.601 -7.314 -2.606 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.735 -6.733 -1.704 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.062 -8.377 -1.191 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.371 -8.035 -3.159 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.036 -9.061 -3.643 1.00 25.00 H new ATOM 0 HE ARG A 600 10.044 -6.575 -4.225 1.00 25.00 H new ATOM 0 HH11 ARG A 600 13.158 -8.122 -4.998 1.00 25.00 H new ATOM 0 HH12 ARG A 600 13.348 -7.215 -6.502 1.00 25.00 H new ATOM 0 HH21 ARG A 600 10.327 -5.441 -6.153 1.00 25.00 H new ATOM 0 HH22 ARG A 600 11.761 -5.714 -7.148 1.00 25.00 H new ATOM 256 N SER A 601 6.471 -9.741 -0.693 1.00 25.00 N ATOM 257 CA SER A 601 5.061 -10.131 -0.784 1.00 25.00 C ATOM 258 C SER A 601 4.344 -9.925 0.560 1.00 25.00 C ATOM 259 O SER A 601 3.132 -9.696 0.591 1.00 25.00 O ATOM 260 CB SER A 601 4.955 -11.601 -1.213 1.00 25.00 C ATOM 261 OG SER A 601 5.498 -12.466 -0.227 1.00 25.00 O ATOM 0 H SER A 601 7.105 -10.520 -0.512 1.00 25.00 H new ATOM 0 HA SER A 601 4.578 -9.499 -1.529 1.00 25.00 H new ATOM 0 HB2 SER A 601 3.910 -11.857 -1.388 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.481 -11.746 -2.157 1.00 25.00 H new ATOM 0 HG SER A 601 6.165 -11.981 0.302 1.00 25.00 H new ATOM 267 N HIS A 602 5.109 -10.011 1.663 1.00 25.00 N ATOM 268 CA HIS A 602 4.581 -9.788 3.017 1.00 25.00 C ATOM 269 C HIS A 602 4.592 -8.289 3.364 1.00 25.00 C ATOM 270 O HIS A 602 3.845 -7.838 4.235 1.00 25.00 O ATOM 271 CB HIS A 602 5.405 -10.594 4.039 1.00 25.00 C ATOM 272 CG HIS A 602 5.402 -12.079 3.810 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.293 -12.937 4.423 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.606 -12.859 3.037 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.045 -14.177 4.037 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.027 -14.156 3.198 1.00 25.00 N ATOM 0 H HIS A 602 6.104 -10.236 1.640 1.00 25.00 H new ATOM 0 HA HIS A 602 3.547 -10.131 3.054 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.435 -10.238 4.018 1.00 25.00 H new ATOM 0 HB3 HIS A 602 5.019 -10.392 5.038 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.793 -12.523 2.411 1.00 25.00 H new ATOM 0 HE1 HIS A 602 6.584 -15.057 4.354 1.00 25.00 H new ATOM 0 HE2 HIS A 602 4.618 -14.972 2.742 1.00 25.00 H new ATOM 285 N LEU A 603 5.453 -7.538 2.664 1.00 25.00 N ATOM 286 CA LEU A 603 5.502 -6.070 2.753 1.00 25.00 C ATOM 287 C LEU A 603 4.298 -5.467 2.015 1.00 25.00 C ATOM 288 O LEU A 603 3.751 -4.436 2.417 1.00 25.00 O ATOM 289 CB LEU A 603 6.817 -5.552 2.122 1.00 25.00 C ATOM 290 CG LEU A 603 8.153 -5.652 2.926 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.304 -5.055 2.148 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.102 -4.989 4.288 1.00 25.00 C ATOM 0 H LEU A 603 6.137 -7.931 2.018 1.00 25.00 H new ATOM 0 HA LEU A 603 5.466 -5.772 3.801 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.961 -6.087 1.183 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.666 -4.502 1.870 1.00 25.00 H new ATOM 0 HG LEU A 603 8.305 -6.720 3.081 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.220 -5.139 2.732 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.424 -5.591 1.206 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.099 -4.004 1.944 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.066 -5.101 4.784 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.877 -3.929 4.169 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.326 -5.459 4.893 1.00 25.00 H new ATOM 304 N VAL A 604 3.914 -6.144 0.921 1.00 25.00 N ATOM 305 CA VAL A 604 2.706 -5.846 0.147 1.00 25.00 C ATOM 306 C VAL A 604 1.445 -6.365 0.876 1.00 25.00 C ATOM 307 O VAL A 604 0.382 -5.745 0.796 1.00 25.00 O ATOM 308 CB VAL A 604 2.847 -6.464 -1.282 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.518 -6.584 -2.020 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.815 -5.637 -2.114 1.00 25.00 C ATOM 0 H VAL A 604 4.447 -6.928 0.545 1.00 25.00 H new ATOM 0 HA VAL A 604 2.592 -4.767 0.048 1.00 25.00 H new ATOM 0 HB VAL A 604 3.229 -7.475 -1.145 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.687 -7.020 -3.005 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.842 -7.223 -1.451 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.074 -5.595 -2.132 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.907 -6.075 -3.108 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.441 -4.617 -2.200 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.792 -5.625 -1.631 1.00 25.00 H new ATOM 320 N HIS A 605 1.581 -7.504 1.580 1.00 25.00 N ATOM 321 CA HIS A 605 0.497 -8.049 2.420 1.00 25.00 C ATOM 322 C HIS A 605 0.295 -7.171 3.666 1.00 25.00 C ATOM 323 O HIS A 605 -0.738 -7.250 4.337 1.00 25.00 O ATOM 324 CB HIS A 605 0.810 -9.499 2.826 1.00 25.00 C ATOM 325 CG HIS A 605 -0.316 -10.201 3.538 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.520 -10.495 2.934 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.418 -10.657 4.812 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.314 -11.095 3.803 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.668 -11.206 4.948 1.00 25.00 N ATOM 0 H HIS A 605 2.432 -8.066 1.584 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.427 -8.046 1.842 1.00 25.00 H new ATOM 0 HB2 HIS A 605 1.068 -10.066 1.932 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.689 -9.502 3.470 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.343 -10.599 5.576 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.320 -11.436 3.609 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.038 -11.632 5.798 1.00 25.00 H new ATOM 338 N LYS A 606 1.308 -6.343 3.950 1.00 25.00 N ATOM 339 CA LYS A 606 1.268 -5.352 5.031 1.00 25.00 C ATOM 340 C LYS A 606 0.548 -4.089 4.531 1.00 25.00 C ATOM 341 O LYS A 606 -0.002 -3.309 5.313 1.00 25.00 O ATOM 342 CB LYS A 606 2.709 -5.008 5.435 1.00 25.00 C ATOM 343 CG LYS A 606 2.844 -4.124 6.665 1.00 25.00 C ATOM 344 CD LYS A 606 4.310 -3.896 6.996 1.00 25.00 C ATOM 345 CE LYS A 606 4.484 -3.155 8.303 1.00 25.00 C ATOM 346 NZ LYS A 606 5.917 -2.887 8.608 1.00 25.00 N ATOM 0 H LYS A 606 2.186 -6.343 3.431 1.00 25.00 H new ATOM 0 HA LYS A 606 0.732 -5.751 5.892 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.251 -5.937 5.614 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.196 -4.512 4.596 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.351 -3.168 6.489 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.342 -4.590 7.513 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.823 -4.856 7.052 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.780 -3.330 6.192 1.00 25.00 H new ATOM 0 HE2 LYS A 606 3.940 -2.211 8.259 1.00 25.00 H new ATOM 0 HE3 LYS A 606 4.045 -3.739 9.112 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.990 -2.378 9.512 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 6.432 -3.788 8.676 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.331 -2.308 7.850 1.00 25.00 H new ATOM 360 N LEU A 607 0.578 -3.932 3.206 1.00 25.00 N ATOM 361 CA LEU A 607 0.023 -2.783 2.502 1.00 25.00 C ATOM 362 C LEU A 607 -1.467 -2.981 2.191 1.00 25.00 C ATOM 363 O LEU A 607 -2.283 -2.099 2.459 1.00 25.00 O ATOM 364 CB LEU A 607 0.835 -2.604 1.221 1.00 25.00 C ATOM 365 CG LEU A 607 2.154 -1.829 1.352 1.00 25.00 C ATOM 366 CD1 LEU A 607 2.898 -1.872 0.040 1.00 25.00 C ATOM 367 CD2 LEU A 607 1.916 -0.376 1.746 1.00 25.00 C ATOM 0 H LEU A 607 1.000 -4.619 2.581 1.00 25.00 H new ATOM 0 HA LEU A 607 0.088 -1.891 3.125 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.058 -3.591 0.817 1.00 25.00 H new ATOM 0 HB3 LEU A 607 0.210 -2.093 0.489 1.00 25.00 H new ATOM 0 HG LEU A 607 2.743 -2.303 2.137 1.00 25.00 H new ATOM 0 HD11 LEU A 607 3.834 -1.322 0.134 1.00 25.00 H new ATOM 0 HD12 LEU A 607 3.111 -2.908 -0.224 1.00 25.00 H new ATOM 0 HD13 LEU A 607 2.287 -1.418 -0.740 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.873 0.140 1.829 1.00 25.00 H new ATOM 0 HD22 LEU A 607 1.305 0.112 0.986 1.00 25.00 H new ATOM 0 HD23 LEU A 607 1.400 -0.339 2.705 1.00 25.00 H new ATOM 379 N VAL A 608 -1.804 -4.164 1.649 1.00 25.00 N ATOM 380 CA VAL A 608 -3.188 -4.536 1.283 1.00 25.00 C ATOM 381 C VAL A 608 -4.099 -4.638 2.534 1.00 25.00 C ATOM 382 O VAL A 608 -5.319 -4.481 2.428 1.00 25.00 O ATOM 383 CB VAL A 608 -3.191 -5.886 0.485 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.600 -6.430 0.264 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.489 -5.722 -0.863 1.00 25.00 C ATOM 0 H VAL A 608 -1.122 -4.896 1.450 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.592 -3.748 0.647 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.647 -6.607 1.095 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.546 -7.365 -0.293 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -5.076 -6.609 1.228 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -5.186 -5.705 -0.301 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.503 -6.671 -1.399 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -3.006 -4.965 -1.453 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.456 -5.413 -0.700 1.00 25.00 H new ATOM 395 N GLN A 609 -3.494 -4.883 3.707 1.00 25.00 N ATOM 396 CA GLN A 609 -4.246 -4.995 4.966 1.00 25.00 C ATOM 397 C GLN A 609 -4.487 -3.614 5.596 1.00 25.00 C ATOM 398 O GLN A 609 -5.487 -3.408 6.288 1.00 25.00 O ATOM 399 CB GLN A 609 -3.548 -5.949 5.953 1.00 25.00 C ATOM 400 CG GLN A 609 -3.596 -7.408 5.538 1.00 25.00 C ATOM 401 CD GLN A 609 -5.003 -7.964 5.317 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.867 -7.831 6.183 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.254 -8.563 4.152 1.00 25.00 N ATOM 0 H GLN A 609 -2.487 -5.007 3.809 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.220 -5.423 4.731 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.506 -5.646 6.060 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.013 -5.845 6.933 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -3.024 -7.529 4.618 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.100 -8.006 6.303 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.514 -8.656 3.456 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -6.186 -8.928 3.957 1.00 25.00 H new ATOM 412 N ALA A 610 -3.556 -2.679 5.345 1.00 25.00 N ATOM 413 CA ALA A 610 -3.701 -1.288 5.780 1.00 25.00 C ATOM 414 C ALA A 610 -4.665 -0.511 4.873 1.00 25.00 C ATOM 415 O ALA A 610 -5.251 0.490 5.294 1.00 25.00 O ATOM 416 CB ALA A 610 -2.340 -0.618 5.801 1.00 25.00 C ATOM 0 H ALA A 610 -2.691 -2.868 4.839 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.124 -1.286 6.785 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.449 0.417 6.125 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.684 -1.147 6.492 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.907 -0.642 4.801 1.00 25.00 H new ATOM 422 N ILE A 611 -4.823 -0.993 3.628 1.00 25.00 N ATOM 423 CA ILE A 611 -5.753 -0.394 2.661 1.00 25.00 C ATOM 424 C ILE A 611 -7.164 -0.976 2.870 1.00 25.00 C ATOM 425 O ILE A 611 -8.124 -0.226 3.072 1.00 25.00 O ATOM 426 CB ILE A 611 -5.265 -0.605 1.183 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.950 0.157 0.940 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.322 -0.130 0.181 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.203 -0.224 -0.331 1.00 25.00 C ATOM 0 H ILE A 611 -4.314 -1.801 3.268 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.785 0.682 2.833 1.00 25.00 H new ATOM 0 HB ILE A 611 -5.099 -1.672 1.036 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -4.168 1.224 0.907 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.291 -0.008 1.792 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.958 -0.288 -0.834 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.243 -0.695 0.328 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.519 0.931 0.335 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.292 0.369 -0.409 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.945 -1.283 -0.298 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.836 -0.031 -1.197 1.00 25.00 H new ATOM 441 N PHE A 612 -7.276 -2.314 2.814 1.00 25.00 N ATOM 442 CA PHE A 612 -8.530 -3.005 3.085 1.00 25.00 C ATOM 443 C PHE A 612 -8.277 -4.271 3.943 1.00 25.00 C ATOM 444 O PHE A 612 -7.807 -5.286 3.414 1.00 25.00 O ATOM 445 CB PHE A 612 -9.238 -3.357 1.755 1.00 25.00 C ATOM 446 CG PHE A 612 -10.592 -4.004 1.917 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.697 -3.258 2.295 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.745 -5.359 1.693 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.933 -3.857 2.448 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.978 -5.965 1.843 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.095 -5.175 2.206 1.00 25.00 C ATOM 0 H PHE A 612 -6.501 -2.935 2.581 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.185 -2.346 3.654 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.353 -2.446 1.167 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.596 -4.027 1.183 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.591 -2.198 2.472 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.891 -5.951 1.397 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.778 -3.264 2.765 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.088 -7.028 1.685 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.073 -5.625 2.289 1.00 25.00 H new ATOM 461 N PRO A 613 -8.565 -4.235 5.288 1.00 25.00 N ATOM 462 CA PRO A 613 -8.480 -5.429 6.151 1.00 25.00 C ATOM 463 C PRO A 613 -9.680 -6.367 5.969 1.00 25.00 C ATOM 464 O PRO A 613 -10.828 -5.911 5.916 1.00 25.00 O ATOM 465 CB PRO A 613 -8.463 -4.861 7.584 1.00 25.00 C ATOM 466 CG PRO A 613 -9.202 -3.563 7.529 1.00 25.00 C ATOM 467 CD PRO A 613 -8.953 -3.051 6.085 1.00 25.00 C ATOM 0 HA PRO A 613 -7.602 -6.029 5.911 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.939 -5.550 8.281 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.441 -4.712 7.931 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.265 -3.700 7.726 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -8.828 -2.859 8.272 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.850 -2.584 5.677 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.166 -2.297 6.070 1.00 25.00 H new ATOM 475 N THR A 614 -9.405 -7.676 5.873 1.00 25.00 N ATOM 476 CA THR A 614 -10.455 -8.681 5.680 1.00 25.00 C ATOM 477 C THR A 614 -10.057 -10.054 6.268 1.00 25.00 C ATOM 478 O THR A 614 -8.981 -10.576 5.960 1.00 25.00 O ATOM 479 CB THR A 614 -10.878 -8.836 4.189 1.00 25.00 C ATOM 480 OG1 THR A 614 -11.752 -9.963 4.024 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.679 -8.978 3.259 1.00 25.00 C ATOM 0 H THR A 614 -8.462 -8.062 5.926 1.00 25.00 H new ATOM 0 HA THR A 614 -11.320 -8.308 6.229 1.00 25.00 H new ATOM 0 HB THR A 614 -11.406 -7.922 3.917 1.00 25.00 H new ATOM 0 HG1 THR A 614 -12.008 -10.043 3.081 1.00 25.00 H new ATOM 0 HG21 THR A 614 -10.026 -9.083 2.231 1.00 25.00 H new ATOM 0 HG22 THR A 614 -9.049 -8.093 3.340 1.00 25.00 H new ATOM 0 HG23 THR A 614 -9.103 -9.860 3.540 1.00 25.00 H new ATOM 489 N PRO A 615 -10.935 -10.643 7.145 1.00 25.00 N ATOM 490 CA PRO A 615 -10.778 -12.022 7.676 1.00 25.00 C ATOM 491 C PRO A 615 -10.544 -13.092 6.600 1.00 25.00 C ATOM 492 O PRO A 615 -9.605 -13.885 6.698 1.00 25.00 O ATOM 493 CB PRO A 615 -12.120 -12.283 8.350 1.00 25.00 C ATOM 494 CG PRO A 615 -12.584 -10.950 8.809 1.00 25.00 C ATOM 495 CD PRO A 615 -12.132 -9.984 7.733 1.00 25.00 C ATOM 0 HA PRO A 615 -9.903 -12.085 8.323 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -12.830 -12.731 7.655 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -12.014 -12.974 9.186 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -13.667 -10.929 8.928 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -12.152 -10.693 9.776 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.909 -9.826 6.985 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.887 -9.007 8.150 1.00 25.00 H new ATOM 503 N ASP A 616 -11.423 -13.101 5.591 1.00 25.00 N ATOM 504 CA ASP A 616 -11.388 -14.094 4.505 1.00 25.00 C ATOM 505 C ASP A 616 -10.247 -13.828 3.504 1.00 25.00 C ATOM 506 O ASP A 616 -10.234 -12.782 2.845 1.00 25.00 O ATOM 507 CB ASP A 616 -12.730 -14.124 3.759 1.00 25.00 C ATOM 508 CG ASP A 616 -12.863 -15.318 2.829 1.00 25.00 C ATOM 509 OD1 ASP A 616 -11.922 -16.138 2.777 1.00 25.00 O ATOM 510 OD2 ASP A 616 -13.909 -15.433 2.156 1.00 25.00 O ATOM 0 H ASP A 616 -12.179 -12.422 5.502 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.204 -15.062 4.970 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -13.543 -14.143 4.485 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -12.839 -13.206 3.181 1.00 25.00 H new ATOM 515 N PRO A 617 -9.253 -14.770 3.384 1.00 25.00 N ATOM 516 CA PRO A 617 -8.194 -14.696 2.343 1.00 25.00 C ATOM 517 C PRO A 617 -8.726 -14.852 0.902 1.00 25.00 C ATOM 518 O PRO A 617 -7.991 -14.621 -0.063 1.00 25.00 O ATOM 519 CB PRO A 617 -7.268 -15.871 2.694 1.00 25.00 C ATOM 520 CG PRO A 617 -8.144 -16.850 3.397 1.00 25.00 C ATOM 521 CD PRO A 617 -9.037 -15.947 4.274 1.00 25.00 C ATOM 0 HA PRO A 617 -7.710 -13.720 2.348 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -6.826 -16.308 1.798 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -6.444 -15.549 3.331 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -8.733 -17.441 2.696 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -7.565 -17.551 3.998 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -9.975 -16.435 4.540 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -8.546 -15.669 5.207 1.00 25.00 H new ATOM 529 N ALA A 618 -10.007 -15.242 0.777 1.00 25.00 N ATOM 530 CA ALA A 618 -10.650 -15.477 -0.525 1.00 25.00 C ATOM 531 C ALA A 618 -10.964 -14.171 -1.277 1.00 25.00 C ATOM 532 O ALA A 618 -11.356 -14.202 -2.448 1.00 25.00 O ATOM 533 CB ALA A 618 -11.924 -16.290 -0.328 1.00 25.00 C ATOM 0 H ALA A 618 -10.623 -15.402 1.574 1.00 25.00 H new ATOM 0 HA ALA A 618 -9.944 -16.033 -1.141 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -12.398 -16.463 -1.294 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -11.677 -17.247 0.131 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -12.609 -15.742 0.320 1.00 25.00 H new ATOM 539 N ALA A 619 -10.781 -13.030 -0.595 1.00 25.00 N ATOM 540 CA ALA A 619 -11.001 -11.706 -1.193 1.00 25.00 C ATOM 541 C ALA A 619 -9.794 -11.242 -2.014 1.00 25.00 C ATOM 542 O ALA A 619 -9.911 -10.329 -2.838 1.00 25.00 O ATOM 543 CB ALA A 619 -11.304 -10.687 -0.108 1.00 25.00 C ATOM 0 H ALA A 619 -10.479 -12.999 0.379 1.00 25.00 H new ATOM 0 HA ALA A 619 -11.853 -11.790 -1.868 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -11.465 -9.709 -0.562 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.201 -10.988 0.434 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -10.464 -10.631 0.584 1.00 25.00 H new ATOM 549 N LEU A 620 -8.640 -11.884 -1.784 1.00 25.00 N ATOM 550 CA LEU A 620 -7.389 -11.521 -2.450 1.00 25.00 C ATOM 551 C LEU A 620 -7.272 -12.156 -3.847 1.00 25.00 C ATOM 552 O LEU A 620 -6.309 -11.893 -4.577 1.00 25.00 O ATOM 553 CB LEU A 620 -6.198 -11.952 -1.576 1.00 25.00 C ATOM 554 CG LEU A 620 -6.104 -11.314 -0.177 1.00 25.00 C ATOM 555 CD1 LEU A 620 -4.975 -11.952 0.617 1.00 25.00 C ATOM 556 CD2 LEU A 620 -5.883 -9.805 -0.265 1.00 25.00 C ATOM 0 H LEU A 620 -8.551 -12.665 -1.134 1.00 25.00 H new ATOM 0 HA LEU A 620 -7.383 -10.439 -2.583 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.238 -13.035 -1.455 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -5.279 -11.725 -2.116 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.052 -11.491 0.332 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -4.919 -11.492 1.604 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.164 -13.020 0.724 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.031 -11.802 0.093 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -5.821 -9.387 0.740 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -4.954 -9.604 -0.799 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -6.715 -9.346 -0.798 1.00 25.00 H new ATOM 568 N LYS A 621 -8.265 -12.981 -4.212 1.00 25.00 N ATOM 569 CA LYS A 621 -8.286 -13.664 -5.511 1.00 25.00 C ATOM 570 C LYS A 621 -9.313 -13.000 -6.451 1.00 25.00 C ATOM 571 O LYS A 621 -9.673 -13.555 -7.497 1.00 25.00 O ATOM 572 CB LYS A 621 -8.608 -15.161 -5.299 1.00 25.00 C ATOM 573 CG LYS A 621 -7.574 -15.942 -4.479 1.00 25.00 C ATOM 574 CD LYS A 621 -8.008 -17.385 -4.242 1.00 25.00 C ATOM 575 CE LYS A 621 -6.960 -18.162 -3.474 1.00 25.00 C ATOM 576 NZ LYS A 621 -7.382 -19.570 -3.231 1.00 25.00 N ATOM 0 H LYS A 621 -9.069 -13.191 -3.620 1.00 25.00 H new ATOM 0 HA LYS A 621 -7.306 -13.581 -5.981 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -9.576 -15.241 -4.804 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -8.708 -15.636 -6.275 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -6.616 -15.932 -4.999 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -7.422 -15.447 -3.520 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -8.948 -17.397 -3.690 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -8.194 -17.872 -5.199 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -6.022 -18.154 -4.030 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -6.769 -17.670 -2.520 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -6.638 -20.069 -2.703 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -8.263 -19.578 -2.679 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -7.540 -20.047 -4.142 1.00 25.00 H new ATOM 590 N ASP A 622 -9.759 -11.796 -6.069 1.00 25.00 N ATOM 591 CA ASP A 622 -10.775 -11.049 -6.815 1.00 25.00 C ATOM 592 C ASP A 622 -10.130 -10.238 -7.952 1.00 25.00 C ATOM 593 O ASP A 622 -8.957 -9.861 -7.877 1.00 25.00 O ATOM 594 CB ASP A 622 -11.528 -10.126 -5.843 1.00 25.00 C ATOM 595 CG ASP A 622 -12.638 -9.328 -6.510 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.308 -9.879 -7.408 1.00 25.00 O ATOM 597 OD2 ASP A 622 -12.836 -8.154 -6.130 1.00 25.00 O ATOM 0 H ASP A 622 -9.425 -11.314 -5.234 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.479 -11.747 -7.269 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -11.954 -10.726 -5.039 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -10.819 -9.436 -5.385 1.00 25.00 H new ATOM 602 N ARG A 623 -10.928 -9.979 -9.001 1.00 25.00 N ATOM 603 CA ARG A 623 -10.459 -9.293 -10.221 1.00 25.00 C ATOM 604 C ARG A 623 -10.369 -7.789 -9.997 1.00 25.00 C ATOM 605 O ARG A 623 -9.449 -7.129 -10.485 1.00 25.00 O ATOM 606 CB ARG A 623 -11.413 -9.555 -11.401 1.00 25.00 C ATOM 607 CG ARG A 623 -11.554 -11.018 -11.772 1.00 25.00 C ATOM 608 CD ARG A 623 -10.439 -11.484 -12.704 1.00 25.00 C ATOM 609 NE ARG A 623 -9.170 -11.677 -11.991 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.891 -12.717 -11.190 1.00 25.00 C ATOM 611 NH1 ARG A 623 -9.782 -13.685 -10.979 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.708 -12.786 -10.594 1.00 25.00 N ATOM 0 H ARG A 623 -11.914 -10.238 -9.029 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.471 -9.690 -10.454 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.397 -9.158 -11.153 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -11.057 -9.004 -12.271 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.545 -11.624 -10.866 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.519 -11.178 -12.253 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -10.733 -12.419 -13.181 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.300 -10.751 -13.498 1.00 25.00 H new ATOM 0 HE ARG A 623 -8.447 -10.968 -12.114 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.696 -13.644 -11.430 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -9.550 -14.467 -10.366 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.017 -12.051 -10.746 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.489 -13.574 -9.984 1.00 25.00 H new ATOM 626 N ARG A 624 -11.355 -7.269 -9.259 1.00 25.00 N ATOM 627 CA ARG A 624 -11.440 -5.834 -8.925 1.00 25.00 C ATOM 628 C ARG A 624 -10.408 -5.421 -7.864 1.00 25.00 C ATOM 629 O ARG A 624 -10.068 -4.239 -7.752 1.00 25.00 O ATOM 630 CB ARG A 624 -12.850 -5.480 -8.435 1.00 25.00 C ATOM 631 CG ARG A 624 -13.921 -5.548 -9.520 1.00 25.00 C ATOM 632 CD ARG A 624 -15.305 -5.205 -8.978 1.00 25.00 C ATOM 633 NE ARG A 624 -15.802 -6.212 -8.029 1.00 25.00 N ATOM 634 CZ ARG A 624 -16.996 -6.165 -7.418 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.847 -5.165 -7.640 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.337 -7.132 -6.578 1.00 25.00 N ATOM 0 H ARG A 624 -12.118 -7.826 -8.874 1.00 25.00 H new ATOM 0 HA ARG A 624 -11.219 -5.283 -9.839 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -13.123 -6.158 -7.627 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.836 -4.474 -8.016 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.666 -4.859 -10.325 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.938 -6.549 -9.951 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.269 -4.233 -8.486 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -16.005 -5.116 -9.808 1.00 25.00 H new ATOM 0 HE ARG A 624 -15.195 -7.004 -7.820 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -17.596 -4.416 -8.285 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.750 -5.149 -7.165 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -16.694 -7.904 -6.400 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.242 -7.104 -6.109 1.00 25.00 H new ATOM 650 N MET A 625 -9.915 -6.404 -7.099 1.00 25.00 N ATOM 651 CA MET A 625 -8.924 -6.161 -6.044 1.00 25.00 C ATOM 652 C MET A 625 -7.494 -6.263 -6.590 1.00 25.00 C ATOM 653 O MET A 625 -6.608 -5.517 -6.165 1.00 25.00 O ATOM 654 CB MET A 625 -9.125 -7.169 -4.902 1.00 25.00 C ATOM 655 CG MET A 625 -8.109 -7.042 -3.767 1.00 25.00 C ATOM 656 SD MET A 625 -8.216 -5.456 -2.918 1.00 25.00 S ATOM 657 CE MET A 625 -8.228 -5.984 -1.212 1.00 25.00 C ATOM 0 H MET A 625 -10.189 -7.382 -7.193 1.00 25.00 H new ATOM 0 HA MET A 625 -9.068 -5.149 -5.666 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.127 -7.042 -4.493 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.073 -8.178 -5.310 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.269 -7.846 -3.049 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.103 -7.168 -4.168 1.00 25.00 H new ATOM 0 HE1 MET A 625 -7.754 -5.223 -0.592 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.257 -6.131 -0.884 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.680 -6.921 -1.117 1.00 25.00 H new ATOM 667 N GLU A 626 -7.290 -7.202 -7.528 1.00 25.00 N ATOM 668 CA GLU A 626 -5.979 -7.445 -8.158 1.00 25.00 C ATOM 669 C GLU A 626 -5.383 -6.171 -8.804 1.00 25.00 C ATOM 670 O GLU A 626 -4.169 -6.098 -9.026 1.00 25.00 O ATOM 671 CB GLU A 626 -6.104 -8.572 -9.197 1.00 25.00 C ATOM 672 CG GLU A 626 -4.790 -8.942 -9.884 1.00 25.00 C ATOM 673 CD GLU A 626 -4.934 -10.126 -10.821 1.00 25.00 C ATOM 674 OE1 GLU A 626 -5.854 -10.106 -11.666 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.128 -11.074 -10.710 1.00 25.00 O ATOM 0 H GLU A 626 -8.029 -7.815 -7.872 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.287 -7.746 -7.371 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.507 -9.459 -8.707 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.826 -8.272 -9.957 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.423 -8.082 -10.445 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.041 -9.172 -9.127 1.00 25.00 H new ATOM 682 N ASN A 627 -6.242 -5.176 -9.097 1.00 25.00 N ATOM 683 CA ASN A 627 -5.802 -3.898 -9.686 1.00 25.00 C ATOM 684 C ASN A 627 -4.958 -3.076 -8.702 1.00 25.00 C ATOM 685 O ASN A 627 -3.980 -2.440 -9.108 1.00 25.00 O ATOM 686 CB ASN A 627 -7.002 -3.056 -10.151 1.00 25.00 C ATOM 687 CG ASN A 627 -7.664 -3.602 -11.403 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.044 -4.328 -12.181 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.926 -3.246 -11.608 1.00 25.00 N ATOM 0 H ASN A 627 -7.247 -5.234 -8.935 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.184 -4.150 -10.548 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.738 -3.010 -9.349 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.671 -2.035 -10.339 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.421 -3.576 -12.437 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.401 -2.643 -10.937 1.00 25.00 H new ATOM 696 N LEU A 628 -5.340 -3.095 -7.412 1.00 25.00 N ATOM 697 CA LEU A 628 -4.608 -2.351 -6.382 1.00 25.00 C ATOM 698 C LEU A 628 -3.448 -3.186 -5.813 1.00 25.00 C ATOM 699 O LEU A 628 -2.448 -2.630 -5.352 1.00 25.00 O ATOM 700 CB LEU A 628 -5.577 -1.777 -5.300 1.00 25.00 C ATOM 701 CG LEU A 628 -6.397 -0.497 -5.596 1.00 25.00 C ATOM 702 CD1 LEU A 628 -6.632 0.328 -4.342 1.00 25.00 C ATOM 703 CD2 LEU A 628 -5.655 0.353 -6.601 1.00 25.00 C ATOM 0 H LEU A 628 -6.146 -3.615 -7.064 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.141 -1.480 -6.842 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.286 -2.566 -5.049 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.986 -1.583 -4.405 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.365 -0.809 -5.989 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -7.211 1.217 -4.594 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.181 -0.267 -3.612 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -5.673 0.628 -3.919 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.231 1.254 -6.811 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -4.682 0.630 -6.195 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.516 -0.211 -7.523 1.00 25.00 H new ATOM 715 N VAL A 629 -3.590 -4.523 -5.843 1.00 25.00 N ATOM 716 CA VAL A 629 -2.480 -5.445 -5.526 1.00 25.00 C ATOM 717 C VAL A 629 -1.301 -5.178 -6.480 1.00 25.00 C ATOM 718 O VAL A 629 -0.137 -5.200 -6.077 1.00 25.00 O ATOM 719 CB VAL A 629 -2.947 -6.933 -5.634 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.789 -7.930 -5.509 1.00 25.00 C ATOM 721 CG2 VAL A 629 -4.015 -7.234 -4.587 1.00 25.00 C ATOM 0 H VAL A 629 -4.463 -4.992 -6.084 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.157 -5.270 -4.500 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.369 -7.057 -6.631 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.174 -8.947 -5.592 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.066 -7.750 -6.305 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.303 -7.803 -4.542 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.329 -8.274 -4.676 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.607 -7.062 -3.591 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.873 -6.581 -4.745 1.00 25.00 H new ATOM 731 N ALA A 630 -1.649 -4.912 -7.744 1.00 25.00 N ATOM 732 CA ALA A 630 -0.688 -4.556 -8.781 1.00 25.00 C ATOM 733 C ALA A 630 -0.195 -3.110 -8.616 1.00 25.00 C ATOM 734 O ALA A 630 0.847 -2.728 -9.156 1.00 25.00 O ATOM 735 CB ALA A 630 -1.332 -4.766 -10.138 1.00 25.00 C ATOM 0 H ALA A 630 -2.614 -4.939 -8.073 1.00 25.00 H new ATOM 0 HA ALA A 630 0.189 -5.198 -8.694 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.622 -4.503 -10.922 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.621 -5.812 -10.246 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.217 -4.135 -10.223 1.00 25.00 H new ATOM 741 N TYR A 631 -0.970 -2.325 -7.854 1.00 25.00 N ATOM 742 CA TYR A 631 -0.623 -0.949 -7.486 1.00 25.00 C ATOM 743 C TYR A 631 0.421 -0.944 -6.354 1.00 25.00 C ATOM 744 O TYR A 631 1.336 -0.115 -6.345 1.00 25.00 O ATOM 745 CB TYR A 631 -1.920 -0.223 -7.054 1.00 25.00 C ATOM 746 CG TYR A 631 -1.912 1.305 -6.989 1.00 25.00 C ATOM 747 CD1 TYR A 631 -2.678 2.102 -7.841 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.121 1.943 -6.039 1.00 25.00 C ATOM 749 CE1 TYR A 631 -2.659 3.475 -7.748 1.00 25.00 C ATOM 750 CE2 TYR A 631 -1.098 3.321 -5.941 1.00 25.00 C ATOM 751 CZ TYR A 631 -1.870 4.082 -6.796 1.00 25.00 C ATOM 752 OH TYR A 631 -1.851 5.454 -6.699 1.00 25.00 O ATOM 0 H TYR A 631 -1.865 -2.633 -7.473 1.00 25.00 H new ATOM 0 HA TYR A 631 -0.181 -0.429 -8.336 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.712 -0.522 -7.741 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -2.196 -0.596 -6.068 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -3.299 1.631 -8.589 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -0.516 1.352 -5.368 1.00 25.00 H new ATOM 0 HE1 TYR A 631 -3.259 4.073 -8.418 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -0.478 3.801 -5.198 1.00 25.00 H new ATOM 0 HH TYR A 631 -1.245 5.723 -5.977 1.00 25.00 H new ATOM 762 N ALA A 632 0.270 -1.889 -5.416 1.00 25.00 N ATOM 763 CA ALA A 632 1.174 -2.013 -4.267 1.00 25.00 C ATOM 764 C ALA A 632 2.428 -2.822 -4.614 1.00 25.00 C ATOM 765 O ALA A 632 3.454 -2.704 -3.936 1.00 25.00 O ATOM 766 CB ALA A 632 0.453 -2.648 -3.091 1.00 25.00 C ATOM 0 H ALA A 632 -0.477 -2.584 -5.433 1.00 25.00 H new ATOM 0 HA ALA A 632 1.492 -1.007 -3.992 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.138 -2.733 -2.247 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.397 -2.028 -2.808 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.100 -3.640 -3.373 1.00 25.00 H new ATOM 772 N LYS A 633 2.336 -3.645 -5.677 1.00 25.00 N ATOM 773 CA LYS A 633 3.455 -4.486 -6.138 1.00 25.00 C ATOM 774 C LYS A 633 4.678 -3.649 -6.555 1.00 25.00 C ATOM 775 O LYS A 633 5.820 -4.102 -6.436 1.00 25.00 O ATOM 776 CB LYS A 633 3.015 -5.348 -7.328 1.00 25.00 C ATOM 777 CG LYS A 633 2.485 -6.734 -6.954 1.00 25.00 C ATOM 778 CD LYS A 633 2.103 -7.556 -8.183 1.00 25.00 C ATOM 779 CE LYS A 633 1.662 -8.971 -7.819 1.00 25.00 C ATOM 780 NZ LYS A 633 1.260 -9.765 -9.016 1.00 25.00 N ATOM 0 H LYS A 633 1.489 -3.744 -6.236 1.00 25.00 H new ATOM 0 HA LYS A 633 3.743 -5.118 -5.298 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.240 -4.814 -7.879 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.861 -5.468 -8.004 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.243 -7.269 -6.382 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.615 -6.626 -6.306 1.00 25.00 H new ATOM 0 HD2 LYS A 633 1.297 -7.053 -8.718 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.954 -7.606 -8.862 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.476 -9.481 -7.304 1.00 25.00 H new ATOM 0 HE3 LYS A 633 0.826 -8.920 -7.122 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.969 -10.718 -8.719 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 0.466 -9.294 -9.494 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 2.065 -9.838 -9.671 1.00 25.00 H new ATOM 794 N LYS A 634 4.411 -2.425 -7.038 1.00 25.00 N ATOM 795 CA LYS A 634 5.443 -1.532 -7.575 1.00 25.00 C ATOM 796 C LYS A 634 6.115 -0.719 -6.469 1.00 25.00 C ATOM 797 O LYS A 634 7.333 -0.520 -6.492 1.00 25.00 O ATOM 798 CB LYS A 634 4.852 -0.542 -8.589 1.00 25.00 C ATOM 799 CG LYS A 634 5.854 0.430 -9.203 1.00 25.00 C ATOM 800 CD LYS A 634 5.218 1.391 -10.216 1.00 25.00 C ATOM 801 CE LYS A 634 6.223 2.385 -10.805 1.00 25.00 C ATOM 802 NZ LYS A 634 5.593 3.284 -11.811 1.00 25.00 N ATOM 0 H LYS A 634 3.471 -2.029 -7.066 1.00 25.00 H new ATOM 0 HA LYS A 634 6.177 -2.175 -8.061 1.00 25.00 H new ATOM 0 HB2 LYS A 634 4.379 -1.107 -9.392 1.00 25.00 H new ATOM 0 HB3 LYS A 634 4.067 0.032 -8.098 1.00 25.00 H new ATOM 0 HG2 LYS A 634 6.324 1.009 -8.408 1.00 25.00 H new ATOM 0 HG3 LYS A 634 6.645 -0.136 -9.695 1.00 25.00 H new ATOM 0 HD2 LYS A 634 4.769 0.814 -11.024 1.00 25.00 H new ATOM 0 HD3 LYS A 634 4.412 1.941 -9.731 1.00 25.00 H new ATOM 0 HE2 LYS A 634 6.653 2.984 -10.003 1.00 25.00 H new ATOM 0 HE3 LYS A 634 7.043 1.839 -11.270 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 6.307 3.941 -12.185 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 5.204 2.715 -12.590 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 4.827 3.825 -11.362 1.00 25.00 H new ATOM 816 N VAL A 635 5.306 -0.252 -5.500 1.00 25.00 N ATOM 817 CA VAL A 635 5.767 0.698 -4.473 1.00 25.00 C ATOM 818 C VAL A 635 6.805 0.066 -3.524 1.00 25.00 C ATOM 819 O VAL A 635 7.642 0.765 -2.960 1.00 25.00 O ATOM 820 CB VAL A 635 4.575 1.332 -3.666 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.087 2.248 -2.554 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.580 2.088 -4.550 1.00 25.00 C ATOM 0 H VAL A 635 4.326 -0.519 -5.408 1.00 25.00 H new ATOM 0 HA VAL A 635 6.261 1.508 -5.009 1.00 25.00 H new ATOM 0 HB VAL A 635 4.037 0.493 -3.224 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.241 2.672 -2.013 1.00 25.00 H new ATOM 0 HG12 VAL A 635 5.706 1.673 -1.866 1.00 25.00 H new ATOM 0 HG13 VAL A 635 5.679 3.053 -2.989 1.00 25.00 H new ATOM 0 HG21 VAL A 635 2.783 2.500 -3.931 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.095 2.899 -5.066 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.153 1.404 -5.284 1.00 25.00 H new ATOM 832 N GLU A 636 6.746 -1.267 -3.380 1.00 25.00 N ATOM 833 CA GLU A 636 7.710 -2.024 -2.567 1.00 25.00 C ATOM 834 C GLU A 636 9.106 -2.004 -3.222 1.00 25.00 C ATOM 835 O GLU A 636 10.125 -1.958 -2.527 1.00 25.00 O ATOM 836 CB GLU A 636 7.225 -3.482 -2.426 1.00 25.00 C ATOM 837 CG GLU A 636 7.011 -4.237 -3.740 1.00 25.00 C ATOM 838 CD GLU A 636 8.233 -5.010 -4.220 1.00 25.00 C ATOM 839 OE1 GLU A 636 9.207 -5.122 -3.447 1.00 25.00 O ATOM 840 OE2 GLU A 636 8.214 -5.500 -5.368 1.00 25.00 O ATOM 0 H GLU A 636 6.033 -1.848 -3.821 1.00 25.00 H new ATOM 0 HA GLU A 636 7.782 -1.561 -1.583 1.00 25.00 H new ATOM 0 HB2 GLU A 636 7.951 -4.031 -1.826 1.00 25.00 H new ATOM 0 HB3 GLU A 636 6.287 -3.482 -1.871 1.00 25.00 H new ATOM 0 HG2 GLU A 636 6.181 -4.932 -3.616 1.00 25.00 H new ATOM 0 HG3 GLU A 636 6.718 -3.525 -4.512 1.00 25.00 H new ATOM 847 N GLY A 637 9.124 -2.035 -4.567 1.00 25.00 N ATOM 848 CA GLY A 637 10.373 -2.008 -5.328 1.00 25.00 C ATOM 849 C GLY A 637 10.902 -0.599 -5.567 1.00 25.00 C ATOM 850 O GLY A 637 12.098 -0.419 -5.816 1.00 25.00 O ATOM 0 H GLY A 637 8.284 -2.079 -5.144 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.128 -2.587 -4.795 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.216 -2.498 -6.289 1.00 25.00 H new ATOM 854 N ASP A 638 10.006 0.399 -5.488 1.00 25.00 N ATOM 855 CA ASP A 638 10.378 1.815 -5.637 1.00 25.00 C ATOM 856 C ASP A 638 11.039 2.343 -4.349 1.00 25.00 C ATOM 857 O ASP A 638 11.740 3.359 -4.369 1.00 25.00 O ATOM 858 CB ASP A 638 9.130 2.646 -5.989 1.00 25.00 C ATOM 859 CG ASP A 638 8.659 2.446 -7.423 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.397 1.811 -8.207 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.554 2.923 -7.757 1.00 25.00 O ATOM 0 H ASP A 638 9.011 0.248 -5.320 1.00 25.00 H new ATOM 0 HA ASP A 638 11.102 1.906 -6.446 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.321 2.381 -5.308 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.348 3.702 -5.829 1.00 25.00 H new ATOM 866 N MET A 639 10.804 1.627 -3.239 1.00 25.00 N ATOM 867 CA MET A 639 11.400 1.946 -1.936 1.00 25.00 C ATOM 868 C MET A 639 12.860 1.479 -1.844 1.00 25.00 C ATOM 869 O MET A 639 13.627 1.976 -1.017 1.00 25.00 O ATOM 870 CB MET A 639 10.577 1.296 -0.826 1.00 25.00 C ATOM 871 CG MET A 639 9.171 1.860 -0.694 1.00 25.00 C ATOM 872 SD MET A 639 9.134 3.614 -0.288 1.00 25.00 S ATOM 873 CE MET A 639 8.683 4.270 -1.879 1.00 25.00 C ATOM 0 H MET A 639 10.194 0.810 -3.221 1.00 25.00 H new ATOM 0 HA MET A 639 11.393 3.030 -1.821 1.00 25.00 H new ATOM 0 HB2 MET A 639 10.512 0.224 -1.014 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.099 1.422 0.122 1.00 25.00 H new ATOM 0 HG2 MET A 639 8.635 1.701 -1.630 1.00 25.00 H new ATOM 0 HG3 MET A 639 8.637 1.306 0.078 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.664 5.359 -1.832 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.412 3.952 -2.624 1.00 25.00 H new ATOM 0 HE3 MET A 639 7.696 3.902 -2.158 1.00 25.00 H new ATOM 883 N TYR A 640 13.225 0.519 -2.711 1.00 25.00 N ATOM 884 CA TYR A 640 14.572 -0.070 -2.738 1.00 25.00 C ATOM 885 C TYR A 640 15.596 0.903 -3.351 1.00 25.00 C ATOM 886 O TYR A 640 16.769 0.899 -2.967 1.00 25.00 O ATOM 887 CB TYR A 640 14.533 -1.389 -3.535 1.00 25.00 C ATOM 888 CG TYR A 640 15.362 -1.389 -4.809 1.00 25.00 C ATOM 889 CD1 TYR A 640 16.746 -1.259 -4.765 1.00 25.00 C ATOM 890 CD2 TYR A 640 14.755 -1.517 -6.054 1.00 25.00 C ATOM 891 CE1 TYR A 640 17.500 -1.259 -5.922 1.00 25.00 C ATOM 892 CE2 TYR A 640 15.502 -1.517 -7.217 1.00 25.00 C ATOM 893 CZ TYR A 640 16.885 -1.392 -7.137 1.00 25.00 C ATOM 894 OH TYR A 640 17.624 -1.393 -8.294 1.00 25.00 O ATOM 0 H TYR A 640 12.594 0.131 -3.412 1.00 25.00 H new ATOM 0 HA TYR A 640 14.887 -0.272 -1.714 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.882 -2.196 -2.891 1.00 25.00 H new ATOM 0 HB3 TYR A 640 13.497 -1.611 -3.792 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.239 -1.156 -3.810 1.00 25.00 H new ATOM 0 HD2 TYR A 640 13.681 -1.618 -6.113 1.00 25.00 H new ATOM 0 HE1 TYR A 640 18.574 -1.154 -5.868 1.00 25.00 H new ATOM 0 HE2 TYR A 640 15.017 -1.613 -8.177 1.00 25.00 H new ATOM 0 HH TYR A 640 17.027 -1.498 -9.064 1.00 25.00 H new ATOM 904 N GLU A 641 15.135 1.728 -4.301 1.00 25.00 N ATOM 905 CA GLU A 641 15.990 2.722 -4.968 1.00 25.00 C ATOM 906 C GLU A 641 16.014 4.056 -4.206 1.00 25.00 C ATOM 907 O GLU A 641 16.954 4.843 -4.359 1.00 25.00 O ATOM 908 CB GLU A 641 15.518 2.960 -6.409 1.00 25.00 C ATOM 909 CG GLU A 641 16.230 2.106 -7.443 1.00 25.00 C ATOM 910 CD GLU A 641 17.238 2.894 -8.258 1.00 25.00 C ATOM 911 OE1 GLU A 641 16.811 3.697 -9.117 1.00 25.00 O ATOM 912 OE2 GLU A 641 18.453 2.711 -8.040 1.00 25.00 O ATOM 0 H GLU A 641 14.169 1.727 -4.627 1.00 25.00 H new ATOM 0 HA GLU A 641 17.003 2.319 -4.980 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.447 2.764 -6.466 1.00 25.00 H new ATOM 0 HB3 GLU A 641 15.663 4.011 -6.659 1.00 25.00 H new ATOM 0 HG2 GLU A 641 16.738 1.283 -6.941 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.493 1.664 -8.113 1.00 25.00 H new ATOM 919 N SER A 642 14.981 4.293 -3.384 1.00 25.00 N ATOM 920 CA SER A 642 14.845 5.549 -2.634 1.00 25.00 C ATOM 921 C SER A 642 15.462 5.452 -1.233 1.00 25.00 C ATOM 922 O SER A 642 15.949 6.454 -0.698 1.00 25.00 O ATOM 923 CB SER A 642 13.368 5.942 -2.526 1.00 25.00 C ATOM 924 OG SER A 642 12.641 5.000 -1.757 1.00 25.00 O ATOM 0 H SER A 642 14.225 3.628 -3.222 1.00 25.00 H new ATOM 0 HA SER A 642 15.390 6.317 -3.183 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.284 6.929 -2.071 1.00 25.00 H new ATOM 0 HB3 SER A 642 12.934 6.013 -3.523 1.00 25.00 H new ATOM 0 HG SER A 642 11.702 5.276 -1.703 1.00 25.00 H new ATOM 930 N ALA A 643 15.440 4.245 -0.649 1.00 25.00 N ATOM 931 CA ALA A 643 15.981 4.017 0.694 1.00 25.00 C ATOM 932 C ALA A 643 17.388 3.417 0.637 1.00 25.00 C ATOM 933 O ALA A 643 17.687 2.596 -0.236 1.00 25.00 O ATOM 934 CB ALA A 643 15.056 3.108 1.490 1.00 25.00 C ATOM 0 H ALA A 643 15.052 3.411 -1.089 1.00 25.00 H new ATOM 0 HA ALA A 643 16.048 4.984 1.193 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.471 2.948 2.485 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.074 3.574 1.577 1.00 25.00 H new ATOM 0 HB3 ALA A 643 14.959 2.150 0.979 1.00 25.00 H new ATOM 940 N ASN A 644 18.243 3.842 1.575 1.00 25.00 N ATOM 941 CA ASN A 644 19.625 3.349 1.664 1.00 25.00 C ATOM 942 C ASN A 644 19.843 2.476 2.913 1.00 25.00 C ATOM 943 O ASN A 644 20.884 1.822 3.047 1.00 25.00 O ATOM 944 CB ASN A 644 20.626 4.527 1.651 1.00 25.00 C ATOM 945 CG ASN A 644 20.567 5.369 0.380 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.016 4.942 -0.684 1.00 25.00 O ATOM 947 ND2 ASN A 644 19.999 6.564 0.489 1.00 25.00 N ATOM 0 H ASN A 644 18.001 4.530 2.288 1.00 25.00 H new ATOM 0 HA ASN A 644 19.803 2.724 0.789 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.430 5.168 2.510 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.636 4.135 1.770 1.00 25.00 H new ATOM 0 HD21 ASN A 644 19.921 7.168 -0.329 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.640 6.878 1.391 1.00 25.00 H new ATOM 954 N SER A 645 18.851 2.469 3.815 1.00 25.00 N ATOM 955 CA SER A 645 18.935 1.724 5.074 1.00 25.00 C ATOM 956 C SER A 645 17.661 0.909 5.304 1.00 25.00 C ATOM 957 O SER A 645 16.609 1.210 4.734 1.00 25.00 O ATOM 958 CB SER A 645 19.151 2.693 6.246 1.00 25.00 C ATOM 959 OG SER A 645 20.385 3.379 6.122 1.00 25.00 O ATOM 0 H SER A 645 17.975 2.977 3.692 1.00 25.00 H new ATOM 0 HA SER A 645 19.781 1.039 5.013 1.00 25.00 H new ATOM 0 HB2 SER A 645 18.333 3.413 6.282 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.131 2.141 7.186 1.00 25.00 H new ATOM 0 HG SER A 645 20.497 3.990 6.880 1.00 25.00 H new ATOM 965 N ARG A 646 17.775 -0.129 6.152 1.00 25.00 N ATOM 966 CA ARG A 646 16.665 -1.055 6.437 1.00 25.00 C ATOM 967 C ARG A 646 15.565 -0.421 7.294 1.00 25.00 C ATOM 968 O ARG A 646 14.412 -0.860 7.242 1.00 25.00 O ATOM 969 CB ARG A 646 17.193 -2.323 7.127 1.00 25.00 C ATOM 970 CG ARG A 646 16.137 -3.408 7.350 1.00 25.00 C ATOM 971 CD ARG A 646 16.677 -4.584 8.171 1.00 25.00 C ATOM 972 NE ARG A 646 17.017 -4.196 9.547 1.00 25.00 N ATOM 973 CZ ARG A 646 16.129 -4.022 10.538 1.00 25.00 C ATOM 974 NH1 ARG A 646 14.824 -4.194 10.333 1.00 25.00 N ATOM 975 NH2 ARG A 646 16.555 -3.669 11.743 1.00 25.00 N ATOM 0 H ARG A 646 18.634 -0.348 6.656 1.00 25.00 H new ATOM 0 HA ARG A 646 16.218 -1.311 5.476 1.00 25.00 H new ATOM 0 HB2 ARG A 646 18.002 -2.739 6.526 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.621 -2.046 8.090 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.277 -2.975 7.861 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.784 -3.773 6.385 1.00 25.00 H new ATOM 0 HD2 ARG A 646 15.933 -5.380 8.194 1.00 25.00 H new ATOM 0 HD3 ARG A 646 17.562 -4.990 7.681 1.00 25.00 H new ATOM 0 HE ARG A 646 18.002 -4.048 9.765 1.00 25.00 H new ATOM 0 HH11 ARG A 646 14.484 -4.463 9.410 1.00 25.00 H new ATOM 0 HH12 ARG A 646 14.165 -4.057 11.099 1.00 25.00 H new ATOM 0 HH21 ARG A 646 17.552 -3.532 11.912 1.00 25.00 H new ATOM 0 HH22 ARG A 646 15.886 -3.535 12.501 1.00 25.00 H new ATOM 989 N ASP A 647 15.928 0.597 8.085 1.00 25.00 N ATOM 990 CA ASP A 647 14.963 1.324 8.918 1.00 25.00 C ATOM 991 C ASP A 647 14.211 2.386 8.095 1.00 25.00 C ATOM 992 O ASP A 647 13.102 2.779 8.458 1.00 25.00 O ATOM 993 CB ASP A 647 15.683 1.968 10.116 1.00 25.00 C ATOM 994 CG ASP A 647 16.138 0.958 11.160 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.622 -0.180 11.149 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.008 1.306 11.985 1.00 25.00 O ATOM 0 H ASP A 647 16.887 0.936 8.165 1.00 25.00 H new ATOM 0 HA ASP A 647 14.225 0.614 9.293 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.549 2.522 9.755 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.016 2.690 10.586 1.00 25.00 H new ATOM 1001 N GLU A 648 14.832 2.843 6.995 1.00 25.00 N ATOM 1002 CA GLU A 648 14.201 3.789 6.064 1.00 25.00 C ATOM 1003 C GLU A 648 13.365 3.029 5.021 1.00 25.00 C ATOM 1004 O GLU A 648 12.271 3.463 4.659 1.00 25.00 O ATOM 1005 CB GLU A 648 15.282 4.660 5.386 1.00 25.00 C ATOM 1006 CG GLU A 648 16.115 5.519 6.341 1.00 25.00 C ATOM 1007 CD GLU A 648 15.310 6.635 6.980 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.202 6.928 6.483 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.787 7.214 7.979 1.00 25.00 O ATOM 0 H GLU A 648 15.778 2.569 6.729 1.00 25.00 H new ATOM 0 HA GLU A 648 13.531 4.446 6.618 1.00 25.00 H new ATOM 0 HB2 GLU A 648 15.954 4.009 4.828 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.798 5.315 4.661 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.533 4.885 7.123 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.956 5.949 5.796 1.00 25.00 H new ATOM 1016 N TYR A 649 13.893 1.886 4.563 1.00 25.00 N ATOM 1017 CA TYR A 649 13.214 1.011 3.596 1.00 25.00 C ATOM 1018 C TYR A 649 11.843 0.542 4.126 1.00 25.00 C ATOM 1019 O TYR A 649 10.830 0.658 3.429 1.00 25.00 O ATOM 1020 CB TYR A 649 14.152 -0.178 3.268 1.00 25.00 C ATOM 1021 CG TYR A 649 13.605 -1.224 2.306 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.527 -0.987 0.941 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.175 -2.454 2.785 1.00 25.00 C ATOM 1024 CE1 TYR A 649 13.035 -1.950 0.080 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.682 -3.417 1.937 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.592 -3.156 0.584 1.00 25.00 C ATOM 1027 OH TYR A 649 12.103 -4.205 -0.168 1.00 25.00 O ATOM 0 H TYR A 649 14.807 1.540 4.854 1.00 25.00 H new ATOM 0 HA TYR A 649 13.007 1.564 2.680 1.00 25.00 H new ATOM 0 HB2 TYR A 649 15.076 0.221 2.850 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.413 -0.676 4.202 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.855 -0.037 0.546 1.00 25.00 H new ATOM 0 HD2 TYR A 649 13.229 -2.658 3.844 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.997 -1.759 -0.982 1.00 25.00 H new ATOM 0 HE2 TYR A 649 12.366 -4.373 2.327 1.00 25.00 H new ATOM 0 HH TYR A 649 11.857 -4.946 0.425 1.00 25.00 H new ATOM 1037 N TYR A 650 11.835 0.016 5.356 1.00 25.00 N ATOM 1038 CA TYR A 650 10.611 -0.464 5.999 1.00 25.00 C ATOM 1039 C TYR A 650 9.717 0.676 6.530 1.00 25.00 C ATOM 1040 O TYR A 650 8.536 0.451 6.814 1.00 25.00 O ATOM 1041 CB TYR A 650 10.961 -1.424 7.148 1.00 25.00 C ATOM 1042 CG TYR A 650 11.592 -2.735 6.691 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.562 -3.380 7.460 1.00 25.00 C ATOM 1044 CD2 TYR A 650 11.216 -3.331 5.492 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.131 -4.563 7.049 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.784 -4.518 5.073 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.746 -5.129 5.859 1.00 25.00 C ATOM 1048 OH TYR A 650 13.313 -6.311 5.439 1.00 25.00 O ATOM 0 H TYR A 650 12.672 -0.088 5.929 1.00 25.00 H new ATOM 0 HA TYR A 650 10.040 -0.985 5.231 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.646 -0.922 7.831 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.055 -1.646 7.711 1.00 25.00 H new ATOM 0 HD1 TYR A 650 12.872 -2.941 8.397 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.466 -2.857 4.877 1.00 25.00 H new ATOM 0 HE1 TYR A 650 13.879 -5.045 7.661 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.480 -4.966 4.139 1.00 25.00 H new ATOM 0 HH TYR A 650 13.570 -6.846 6.219 1.00 25.00 H new ATOM 1058 N HIS A 651 10.277 1.891 6.654 1.00 25.00 N ATOM 1059 CA HIS A 651 9.542 3.039 7.212 1.00 25.00 C ATOM 1060 C HIS A 651 8.673 3.723 6.153 1.00 25.00 C ATOM 1061 O HIS A 651 7.520 4.045 6.424 1.00 25.00 O ATOM 1062 CB HIS A 651 10.523 4.047 7.835 1.00 25.00 C ATOM 1063 CG HIS A 651 9.869 5.229 8.502 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.126 5.123 9.659 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.831 6.540 8.152 1.00 25.00 C ATOM 1066 CE1 HIS A 651 8.657 6.314 9.991 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.072 7.189 9.094 1.00 25.00 N ATOM 0 H HIS A 651 11.235 2.104 6.376 1.00 25.00 H new ATOM 0 HA HIS A 651 8.877 2.662 7.989 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.140 3.528 8.569 1.00 25.00 H new ATOM 0 HB3 HIS A 651 11.193 4.411 7.056 1.00 25.00 H new ATOM 0 HD2 HIS A 651 10.308 6.988 7.293 1.00 25.00 H new ATOM 0 HE1 HIS A 651 8.040 6.533 10.850 1.00 25.00 H new ATOM 0 HE2 HIS A 651 8.862 8.187 9.100 1.00 25.00 H new ATOM 1076 N LEU A 652 9.235 3.928 4.950 1.00 25.00 N ATOM 1077 CA LEU A 652 8.523 4.545 3.812 1.00 25.00 C ATOM 1078 C LEU A 652 7.211 3.824 3.476 1.00 25.00 C ATOM 1079 O LEU A 652 6.214 4.463 3.127 1.00 25.00 O ATOM 1080 CB LEU A 652 9.444 4.539 2.596 1.00 25.00 C ATOM 1081 CG LEU A 652 10.666 5.481 2.617 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.654 5.212 1.486 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.176 6.908 2.529 1.00 25.00 C ATOM 0 H LEU A 652 10.199 3.671 4.736 1.00 25.00 H new ATOM 0 HA LEU A 652 8.259 5.565 4.093 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.808 3.521 2.456 1.00 25.00 H new ATOM 0 HB3 LEU A 652 8.845 4.787 1.720 1.00 25.00 H new ATOM 0 HG LEU A 652 11.203 5.301 3.548 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.489 5.909 1.559 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.026 4.190 1.563 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.154 5.345 0.527 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.029 7.587 2.543 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.618 7.045 1.603 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.527 7.123 3.378 1.00 25.00 H new ATOM 1095 N LEU A 653 7.237 2.490 3.585 1.00 25.00 N ATOM 1096 CA LEU A 653 6.033 1.654 3.415 1.00 25.00 C ATOM 1097 C LEU A 653 5.075 1.791 4.606 1.00 25.00 C ATOM 1098 O LEU A 653 3.854 1.741 4.432 1.00 25.00 O ATOM 1099 CB LEU A 653 6.411 0.176 3.225 1.00 25.00 C ATOM 1100 CG LEU A 653 7.179 -0.184 1.942 1.00 25.00 C ATOM 1101 CD1 LEU A 653 7.644 -1.618 2.011 1.00 25.00 C ATOM 1102 CD2 LEU A 653 6.327 0.014 0.693 1.00 25.00 C ATOM 0 H LEU A 653 8.083 1.959 3.792 1.00 25.00 H new ATOM 0 HA LEU A 653 5.523 2.010 2.520 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.013 -0.133 4.079 1.00 25.00 H new ATOM 0 HB3 LEU A 653 5.495 -0.415 3.250 1.00 25.00 H new ATOM 0 HG LEU A 653 8.036 0.486 1.873 1.00 25.00 H new ATOM 0 HD11 LEU A 653 8.188 -1.868 1.100 1.00 25.00 H new ATOM 0 HD12 LEU A 653 8.300 -1.747 2.872 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.781 -2.276 2.111 1.00 25.00 H new ATOM 0 HD21 LEU A 653 6.908 -0.252 -0.190 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.444 -0.622 0.751 1.00 25.00 H new ATOM 0 HD23 LEU A 653 6.019 1.057 0.624 1.00 25.00 H new ATOM 1114 N ALA A 654 5.642 1.962 5.812 1.00 25.00 N ATOM 1115 CA ALA A 654 4.856 2.233 7.026 1.00 25.00 C ATOM 1116 C ALA A 654 4.299 3.663 7.009 1.00 25.00 C ATOM 1117 O ALA A 654 3.297 3.957 7.668 1.00 25.00 O ATOM 1118 CB ALA A 654 5.710 2.013 8.268 1.00 25.00 C ATOM 0 H ALA A 654 6.648 1.917 5.972 1.00 25.00 H new ATOM 0 HA ALA A 654 4.015 1.540 7.050 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.116 2.217 9.159 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.058 0.980 8.292 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.568 2.684 8.243 1.00 25.00 H new ATOM 1124 N GLU A 655 4.969 4.541 6.241 1.00 25.00 N ATOM 1125 CA GLU A 655 4.528 5.933 6.049 1.00 25.00 C ATOM 1126 C GLU A 655 3.293 6.020 5.156 1.00 25.00 C ATOM 1127 O GLU A 655 2.407 6.838 5.410 1.00 25.00 O ATOM 1128 CB GLU A 655 5.656 6.801 5.454 1.00 25.00 C ATOM 1129 CG GLU A 655 5.331 8.289 5.322 1.00 25.00 C ATOM 1130 CD GLU A 655 6.461 9.102 4.707 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.547 9.168 5.319 1.00 25.00 O ATOM 1132 OE2 GLU A 655 6.256 9.671 3.614 1.00 25.00 O ATOM 0 H GLU A 655 5.826 4.307 5.739 1.00 25.00 H new ATOM 0 HA GLU A 655 4.268 6.315 7.036 1.00 25.00 H new ATOM 0 HB2 GLU A 655 6.543 6.693 6.078 1.00 25.00 H new ATOM 0 HB3 GLU A 655 5.910 6.412 4.468 1.00 25.00 H new ATOM 0 HG2 GLU A 655 4.436 8.405 4.711 1.00 25.00 H new ATOM 0 HG3 GLU A 655 5.099 8.691 6.308 1.00 25.00 H new ATOM 1139 N LYS A 656 3.233 5.172 4.113 1.00 25.00 N ATOM 1140 CA LYS A 656 2.029 5.063 3.273 1.00 25.00 C ATOM 1141 C LYS A 656 0.884 4.454 4.083 1.00 25.00 C ATOM 1142 O LYS A 656 -0.282 4.766 3.860 1.00 25.00 O ATOM 1143 CB LYS A 656 2.268 4.186 2.026 1.00 25.00 C ATOM 1144 CG LYS A 656 3.185 4.775 0.947 1.00 25.00 C ATOM 1145 CD LYS A 656 2.407 5.467 -0.169 1.00 25.00 C ATOM 1146 CE LYS A 656 2.100 6.914 0.183 1.00 25.00 C ATOM 1147 NZ LYS A 656 1.136 7.524 -0.773 1.00 25.00 N ATOM 0 H LYS A 656 3.998 4.558 3.834 1.00 25.00 H new ATOM 0 HA LYS A 656 1.776 6.071 2.943 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.690 3.235 2.352 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.302 3.967 1.572 1.00 25.00 H new ATOM 0 HG2 LYS A 656 3.868 5.490 1.406 1.00 25.00 H new ATOM 0 HG3 LYS A 656 3.796 3.979 0.520 1.00 25.00 H new ATOM 0 HD2 LYS A 656 2.984 5.430 -1.093 1.00 25.00 H new ATOM 0 HD3 LYS A 656 1.476 4.930 -0.352 1.00 25.00 H new ATOM 0 HE2 LYS A 656 1.691 6.963 1.192 1.00 25.00 H new ATOM 0 HE3 LYS A 656 3.024 7.491 0.185 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 0.952 8.510 -0.499 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 1.536 7.500 -1.733 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 0.245 6.989 -0.756 1.00 25.00 H new ATOM 1161 N ILE A 657 1.257 3.626 5.068 1.00 25.00 N ATOM 1162 CA ILE A 657 0.302 2.895 5.906 1.00 25.00 C ATOM 1163 C ILE A 657 -0.420 3.851 6.873 1.00 25.00 C ATOM 1164 O ILE A 657 -1.562 3.602 7.263 1.00 25.00 O ATOM 1165 CB ILE A 657 1.037 1.721 6.648 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.195 0.532 5.665 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.340 1.293 7.952 1.00 25.00 C ATOM 1168 CD1 ILE A 657 2.110 -0.599 6.124 1.00 25.00 C ATOM 0 H ILE A 657 2.232 3.445 5.305 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.471 2.452 5.278 1.00 25.00 H new ATOM 0 HB ILE A 657 2.019 2.078 6.959 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.207 0.116 5.468 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.573 0.917 4.718 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.899 0.479 8.413 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.299 2.139 8.638 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.673 0.957 7.730 1.00 25.00 H new ATOM 0 HD11 ILE A 657 2.144 -1.373 5.358 1.00 25.00 H new ATOM 0 HD12 ILE A 657 3.114 -0.210 6.291 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.727 -1.023 7.052 1.00 25.00 H new ATOM 1180 N TYR A 658 0.258 4.940 7.238 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.312 5.944 8.127 1.00 25.00 C ATOM 1182 C TYR A 658 -1.165 6.950 7.335 1.00 25.00 C ATOM 1183 O TYR A 658 -2.217 7.380 7.809 1.00 25.00 O ATOM 1184 CB TYR A 658 0.817 6.663 8.886 1.00 25.00 C ATOM 1185 CG TYR A 658 1.467 5.848 9.993 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.818 5.519 9.944 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.728 5.412 11.090 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.411 4.782 10.951 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.316 4.676 12.100 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.655 4.362 12.026 1.00 25.00 C ATOM 1191 OH TYR A 658 3.243 3.628 13.031 1.00 25.00 O ATOM 0 H TYR A 658 1.207 5.147 6.928 1.00 25.00 H new ATOM 0 HA TYR A 658 -0.963 5.451 8.848 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.586 6.956 8.171 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.417 7.581 9.318 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.413 5.845 9.104 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.323 5.654 11.152 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.461 4.536 10.897 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.728 4.348 12.945 1.00 25.00 H new ATOM 0 HH TYR A 658 2.573 3.413 13.714 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.704 7.293 6.118 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.381 8.287 5.256 1.00 25.00 C ATOM 1203 C LYS A 659 -2.643 7.719 4.601 1.00 25.00 C ATOM 1204 O LYS A 659 -3.596 8.459 4.335 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.430 8.816 4.167 1.00 25.00 C ATOM 1206 CG LYS A 659 0.729 9.681 4.675 1.00 25.00 C ATOM 1207 CD LYS A 659 1.733 10.031 3.570 1.00 25.00 C ATOM 1208 CE LYS A 659 2.877 10.889 4.075 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.874 11.204 3.008 1.00 25.00 N ATOM 0 H LYS A 659 0.140 6.895 5.705 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.677 9.110 5.907 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.017 7.966 3.624 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.011 9.399 3.452 1.00 25.00 H new ATOM 0 HG2 LYS A 659 0.330 10.601 5.103 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.246 9.154 5.477 1.00 25.00 H new ATOM 0 HD2 LYS A 659 2.134 9.112 3.143 1.00 25.00 H new ATOM 0 HD3 LYS A 659 1.216 10.556 2.767 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.478 11.819 4.480 1.00 25.00 H new ATOM 0 HE3 LYS A 659 3.378 10.374 4.895 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.754 10.680 3.190 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.491 10.926 2.082 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 4.072 12.225 3.009 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.638 6.404 4.344 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.819 5.689 3.835 1.00 25.00 C ATOM 1225 C ILE A 660 -4.874 5.575 4.953 1.00 25.00 C ATOM 1226 O ILE A 660 -6.077 5.534 4.688 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.416 4.277 3.282 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.603 4.439 1.979 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.644 3.383 3.041 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -1.852 3.191 1.531 1.00 25.00 C ATOM 0 H ILE A 660 -1.822 5.808 4.482 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.251 6.251 3.007 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.801 3.785 4.035 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.280 4.744 1.181 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.885 5.248 2.114 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.320 2.415 2.658 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.181 3.241 3.979 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.303 3.858 2.314 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.312 3.403 0.608 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.145 2.894 2.306 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.562 2.382 1.358 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.391 5.541 6.197 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.242 5.507 7.386 1.00 25.00 C ATOM 1244 C GLN A 661 -5.818 6.893 7.727 1.00 25.00 C ATOM 1245 O GLN A 661 -6.814 6.992 8.450 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.443 4.946 8.568 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.333 3.415 8.583 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.428 2.834 9.677 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -2.832 3.582 10.451 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.332 1.506 9.768 1.00 25.00 N ATOM 0 H GLN A 661 -3.393 5.536 6.408 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.091 4.857 7.177 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.439 5.371 8.548 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -4.910 5.275 9.496 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.332 2.996 8.701 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -3.961 3.084 7.613 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.838 0.912 9.111 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.752 1.085 10.494 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.182 7.954 7.199 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.647 9.340 7.401 1.00 25.00 C ATOM 1261 C LYS A 662 -6.800 9.690 6.449 1.00 25.00 C ATOM 1262 O LYS A 662 -7.781 10.316 6.858 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.507 10.360 7.175 1.00 25.00 C ATOM 1264 CG LYS A 662 -4.834 11.849 7.403 1.00 25.00 C ATOM 1265 CD LYS A 662 -3.684 12.788 7.093 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.025 14.227 7.418 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.031 14.792 6.477 1.00 25.00 N ATOM 0 H LYS A 662 -4.341 7.878 6.627 1.00 25.00 H new ATOM 0 HA LYS A 662 -5.992 9.399 8.433 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.680 10.092 7.832 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.151 10.246 6.151 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -5.689 12.121 6.784 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.134 11.990 8.441 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -2.805 12.486 7.663 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.423 12.706 6.038 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.409 14.287 8.436 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -3.118 14.831 7.383 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.209 15.788 6.716 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -4.670 14.729 5.504 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -5.918 14.254 6.553 1.00 25.00 H new ATOM 1281 N GLU A 663 -6.662 9.279 5.178 1.00 25.00 N ATOM 1282 CA GLU A 663 -7.613 9.618 4.113 1.00 25.00 C ATOM 1283 C GLU A 663 -8.989 8.949 4.304 1.00 25.00 C ATOM 1284 O GLU A 663 -10.025 9.587 4.102 1.00 25.00 O ATOM 1285 CB GLU A 663 -6.987 9.270 2.751 1.00 25.00 C ATOM 1286 CG GLU A 663 -5.824 10.149 2.304 1.00 25.00 C ATOM 1287 CD GLU A 663 -5.227 9.686 0.993 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -5.674 8.640 0.474 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -4.314 10.368 0.483 1.00 25.00 O ATOM 0 H GLU A 663 -5.884 8.700 4.862 1.00 25.00 H new ATOM 0 HA GLU A 663 -7.808 10.690 4.156 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -6.643 8.236 2.786 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -7.767 9.321 1.992 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -6.168 11.178 2.201 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -5.052 10.146 3.074 1.00 25.00 H new ATOM 1296 N LEU A 664 -8.979 7.658 4.683 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.209 6.927 5.059 1.00 25.00 C ATOM 1298 C LEU A 664 -10.930 7.581 6.255 1.00 25.00 C ATOM 1299 O LEU A 664 -12.129 7.371 6.454 1.00 25.00 O ATOM 1300 CB LEU A 664 -9.899 5.451 5.418 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.503 4.476 4.276 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -8.963 3.155 4.812 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.657 4.225 3.318 1.00 25.00 C ATOM 0 H LEU A 664 -8.130 7.095 4.738 1.00 25.00 H new ATOM 0 HA LEU A 664 -10.862 6.966 4.187 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.090 5.451 6.149 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -10.778 5.040 5.915 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.703 4.966 3.721 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.699 2.505 3.978 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.078 3.343 5.420 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -9.726 2.671 5.422 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.337 3.538 2.535 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.494 3.789 3.863 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.968 5.168 2.868 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.180 8.361 7.050 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.732 9.080 8.203 1.00 25.00 C ATOM 1317 C GLU A 665 -11.302 10.449 7.781 1.00 25.00 C ATOM 1318 O GLU A 665 -12.113 11.038 8.504 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.640 9.240 9.278 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.448 8.024 10.182 1.00 25.00 C ATOM 1321 CD GLU A 665 -10.029 8.229 11.568 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -11.251 8.028 11.735 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -9.263 8.590 12.486 1.00 25.00 O ATOM 0 H GLU A 665 -9.180 8.509 6.911 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.557 8.502 8.620 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.694 9.461 8.784 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.885 10.102 9.899 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.917 7.155 9.720 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -8.384 7.804 10.267 1.00 25.00 H new ATOM 1694 N SER B 536 -8.219 9.173 -4.788 1.00 25.00 N ATOM 1695 CA SER B 536 -9.382 9.106 -5.679 1.00 25.00 C ATOM 1696 C SER B 536 -9.783 7.664 -6.000 1.00 25.00 C ATOM 1697 O SER B 536 -10.973 7.363 -6.116 1.00 25.00 O ATOM 1698 CB SER B 536 -9.104 9.870 -6.967 1.00 25.00 C ATOM 1699 OG SER B 536 -7.994 9.324 -7.661 1.00 25.00 O ATOM 0 HA SER B 536 -10.218 9.568 -5.154 1.00 25.00 H new ATOM 0 HB2 SER B 536 -9.986 9.841 -7.607 1.00 25.00 H new ATOM 0 HB3 SER B 536 -8.912 10.918 -6.736 1.00 25.00 H new ATOM 0 HG SER B 536 -7.308 9.051 -7.017 1.00 25.00 H new ATOM 1705 N ILE B 537 -8.785 6.778 -6.136 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.027 5.379 -6.520 1.00 25.00 C ATOM 1707 C ILE B 537 -9.317 4.489 -5.300 1.00 25.00 C ATOM 1708 O ILE B 537 -10.063 3.510 -5.412 1.00 25.00 O ATOM 1709 CB ILE B 537 -7.827 4.788 -7.345 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -7.655 5.499 -8.724 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -7.962 3.267 -7.538 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.384 5.161 -9.504 1.00 25.00 C ATOM 0 H ILE B 537 -7.802 7.006 -5.986 1.00 25.00 H new ATOM 0 HA ILE B 537 -9.913 5.383 -7.155 1.00 25.00 H new ATOM 0 HB ILE B 537 -6.928 4.978 -6.758 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -8.515 5.252 -9.347 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -7.680 6.576 -8.559 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.113 2.896 -8.113 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -7.982 2.777 -6.565 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -8.886 3.049 -8.073 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.376 5.714 -10.443 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -5.510 5.436 -8.913 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.359 4.091 -9.712 1.00 25.00 H new ATOM 1724 N ALA B 538 -8.740 4.835 -4.141 1.00 25.00 N ATOM 1725 CA ALA B 538 -8.865 4.000 -2.941 1.00 25.00 C ATOM 1726 C ALA B 538 -10.196 4.197 -2.215 1.00 25.00 C ATOM 1727 O ALA B 538 -10.548 3.430 -1.312 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.692 4.239 -2.007 1.00 25.00 C ATOM 0 H ALA B 538 -8.186 5.681 -4.010 1.00 25.00 H new ATOM 0 HA ALA B 538 -8.849 2.961 -3.271 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.799 3.613 -1.121 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.763 3.989 -2.519 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.671 5.287 -1.710 1.00 25.00 H new ATOM 1734 N ASP B 539 -10.919 5.227 -2.629 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.281 5.479 -2.153 1.00 25.00 C ATOM 1736 C ASP B 539 -13.294 5.025 -3.225 1.00 25.00 C ATOM 1737 O ASP B 539 -14.511 5.139 -3.047 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.440 6.970 -1.780 1.00 25.00 C ATOM 1739 CG ASP B 539 -13.620 7.251 -0.859 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -13.860 6.444 0.062 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -14.301 8.277 -1.065 1.00 25.00 O ATOM 0 H ASP B 539 -10.583 5.914 -3.304 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.479 4.901 -1.250 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -11.525 7.314 -1.298 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -12.557 7.553 -2.694 1.00 25.00 H new ATOM 1746 N MET B 540 -12.754 4.491 -4.330 1.00 25.00 N ATOM 1747 CA MET B 540 -13.547 3.879 -5.400 1.00 25.00 C ATOM 1748 C MET B 540 -13.568 2.354 -5.257 1.00 25.00 C ATOM 1749 O MET B 540 -14.550 1.702 -5.626 1.00 25.00 O ATOM 1750 CB MET B 540 -12.965 4.257 -6.766 1.00 25.00 C ATOM 1751 CG MET B 540 -13.329 5.662 -7.237 1.00 25.00 C ATOM 1752 SD MET B 540 -12.485 6.144 -8.759 1.00 25.00 S ATOM 1753 CE MET B 540 -13.290 5.078 -9.959 1.00 25.00 C ATOM 0 H MET B 540 -11.749 4.473 -4.505 1.00 25.00 H new ATOM 0 HA MET B 540 -14.568 4.252 -5.323 1.00 25.00 H new ATOM 0 HB2 MET B 540 -11.879 4.171 -6.721 1.00 25.00 H new ATOM 0 HB3 MET B 540 -13.311 3.537 -7.507 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.406 5.718 -7.393 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.083 6.376 -6.451 1.00 25.00 H new ATOM 0 HE1 MET B 540 -12.990 5.371 -10.965 1.00 25.00 H new ATOM 0 HE2 MET B 540 -12.998 4.043 -9.780 1.00 25.00 H new ATOM 0 HE3 MET B 540 -14.372 5.172 -9.861 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.473 1.798 -4.715 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.319 0.362 -4.531 1.00 25.00 C ATOM 1765 C ASP B 541 -12.848 -0.114 -3.173 1.00 25.00 C ATOM 1766 O ASP B 541 -13.140 -1.302 -3.005 1.00 25.00 O ATOM 1767 CB ASP B 541 -10.848 -0.008 -4.678 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.376 0.009 -6.120 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.113 -0.495 -6.993 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.268 0.526 -6.376 1.00 25.00 O ATOM 0 H ASP B 541 -11.672 2.341 -4.394 1.00 25.00 H new ATOM 0 HA ASP B 541 -12.913 -0.138 -5.296 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.244 0.687 -4.095 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.685 -1.001 -4.259 1.00 25.00 H new ATOM 1775 N PHE B 542 -12.979 0.816 -2.207 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.456 0.482 -0.856 1.00 25.00 C ATOM 1777 C PHE B 542 -14.964 0.165 -0.856 1.00 25.00 C ATOM 1778 O PHE B 542 -15.450 -0.554 0.019 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.152 1.643 0.104 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.308 1.320 1.571 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.354 0.566 2.243 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.422 1.760 2.271 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.510 0.262 3.583 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.580 1.459 3.610 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.624 0.709 4.267 1.00 25.00 C ATOM 0 H PHE B 542 -12.761 1.803 -2.340 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.931 -0.411 -0.518 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.130 1.980 -0.071 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.810 2.477 -0.140 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.481 0.214 1.713 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.175 2.345 1.763 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.761 -0.325 4.095 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.451 1.810 4.143 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.747 0.472 5.314 1.00 25.00 H new ATOM 1795 N SER B 543 -15.684 0.709 -1.852 1.00 25.00 N ATOM 1796 CA SER B 543 -17.123 0.461 -2.024 1.00 25.00 C ATOM 1797 C SER B 543 -17.383 -0.870 -2.747 1.00 25.00 C ATOM 1798 O SER B 543 -18.414 -1.511 -2.524 1.00 25.00 O ATOM 1799 CB SER B 543 -17.760 1.618 -2.802 1.00 25.00 C ATOM 1800 OG SER B 543 -17.191 1.751 -4.095 1.00 25.00 O ATOM 0 H SER B 543 -15.286 1.330 -2.557 1.00 25.00 H new ATOM 0 HA SER B 543 -17.576 0.395 -1.035 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.833 1.450 -2.891 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.627 2.547 -2.248 1.00 25.00 H new ATOM 0 HG SER B 543 -17.619 2.496 -4.566 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.434 -1.272 -3.610 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.525 -2.537 -4.354 1.00 25.00 C ATOM 1808 C ALA B 544 -16.129 -3.731 -3.478 1.00 25.00 C ATOM 1809 O ALA B 544 -16.613 -4.849 -3.680 1.00 25.00 O ATOM 1810 CB ALA B 544 -15.647 -2.478 -5.598 1.00 25.00 C ATOM 0 H ALA B 544 -15.591 -0.734 -3.809 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.563 -2.676 -4.656 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -15.722 -3.420 -6.141 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -15.979 -1.662 -6.239 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.611 -2.310 -5.304 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.246 -3.470 -2.505 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.837 -4.458 -1.510 1.00 25.00 C ATOM 1818 C LEU B 545 -15.825 -4.501 -0.332 1.00 25.00 C ATOM 1819 O LEU B 545 -15.816 -5.444 0.466 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.433 -4.110 -1.005 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.301 -4.220 -2.040 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.012 -3.612 -1.504 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.056 -5.677 -2.427 1.00 25.00 C ATOM 0 H LEU B 545 -14.796 -2.562 -2.389 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.830 -5.443 -1.976 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.449 -3.091 -0.619 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.197 -4.765 -0.166 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.612 -3.666 -2.926 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.227 -3.703 -2.255 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.174 -2.559 -1.274 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.710 -4.139 -0.599 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.251 -5.728 -3.160 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.777 -6.247 -1.541 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.965 -6.097 -2.857 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.676 -3.465 -0.249 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.691 -3.341 0.805 1.00 25.00 C ATOM 1837 C LEU B 546 -18.943 -4.171 0.474 1.00 25.00 C ATOM 1838 O LEU B 546 -19.632 -4.655 1.376 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.047 -1.846 0.990 1.00 25.00 C ATOM 1840 CG LEU B 546 -19.032 -1.486 2.114 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.524 -1.966 3.465 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -19.278 0.015 2.144 1.00 25.00 C ATOM 0 H LEU B 546 -16.678 -2.690 -0.912 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.286 -3.733 1.738 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -17.121 -1.299 1.166 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -18.460 -1.480 0.050 1.00 25.00 H new ATOM 0 HG LEU B 546 -19.975 -1.993 1.909 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -19.242 -1.697 4.240 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.402 -3.049 3.444 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -17.564 -1.497 3.681 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -19.978 0.253 2.945 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.336 0.535 2.318 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -19.697 0.334 1.190 1.00 25.00 H new ATOM 1854 N SER B 547 -19.216 -4.324 -0.828 1.00 25.00 N ATOM 1855 CA SER B 547 -20.344 -5.130 -1.320 1.00 25.00 C ATOM 1856 C SER B 547 -20.059 -6.639 -1.228 1.00 25.00 C ATOM 1857 O SER B 547 -20.981 -7.456 -1.305 1.00 25.00 O ATOM 1858 CB SER B 547 -20.672 -4.750 -2.768 1.00 25.00 C ATOM 1859 OG SER B 547 -19.596 -5.067 -3.636 1.00 25.00 O ATOM 0 H SER B 547 -18.663 -3.894 -1.570 1.00 25.00 H new ATOM 0 HA SER B 547 -21.201 -4.915 -0.681 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.570 -5.276 -3.091 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.889 -3.683 -2.827 1.00 25.00 H new ATOM 0 HG SER B 547 -18.768 -4.677 -3.286 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.774 -6.993 -1.056 1.00 25.00 N ATOM 1866 CA GLN B 548 -18.332 -8.397 -0.975 1.00 25.00 C ATOM 1867 C GLN B 548 -18.696 -9.043 0.364 1.00 25.00 C ATOM 1868 O GLN B 548 -18.778 -10.270 0.475 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.820 -8.487 -1.193 1.00 25.00 C ATOM 1870 CG GLN B 548 -16.373 -8.164 -2.610 1.00 25.00 C ATOM 1871 CD GLN B 548 -14.901 -8.456 -2.869 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -14.268 -9.211 -2.131 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -14.353 -7.860 -3.923 1.00 25.00 N ATOM 0 H GLN B 548 -18.015 -6.317 -0.969 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.854 -8.944 -1.760 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.324 -7.804 -0.503 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.487 -9.494 -0.940 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -16.977 -8.739 -3.312 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -16.566 -7.110 -2.811 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -14.915 -7.241 -4.508 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -13.371 -8.021 -4.147 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.911 -8.193 1.362 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.257 -8.630 2.724 1.00 25.00 C ATOM 1884 C ILE B 549 -20.788 -8.728 2.893 1.00 25.00 C ATOM 1885 O ILE B 549 -21.276 -9.531 3.693 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.659 -7.668 3.808 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -17.115 -7.648 3.724 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -19.103 -8.092 5.219 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.450 -6.546 4.535 1.00 25.00 C ATOM 0 H ILE B 549 -18.852 -7.180 1.257 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.819 -9.618 2.869 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.035 -6.664 3.612 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -16.733 -8.611 4.063 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -16.823 -7.539 2.680 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -18.676 -7.410 5.955 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -20.191 -8.060 5.283 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -18.757 -9.106 5.420 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -15.368 -6.609 4.416 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.798 -5.575 4.183 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -16.707 -6.663 5.588 1.00 25.00 H new ATOM 1901 N SER B 550 -21.529 -7.912 2.127 1.00 25.00 N ATOM 1902 CA SER B 550 -22.994 -7.877 2.209 1.00 25.00 C ATOM 1903 C SER B 550 -23.644 -8.835 1.201 1.00 25.00 C ATOM 1904 O SER B 550 -24.614 -9.524 1.535 1.00 25.00 O ATOM 1905 CB SER B 550 -23.504 -6.445 1.992 1.00 25.00 C ATOM 1906 OG SER B 550 -23.130 -5.948 0.715 1.00 25.00 O ATOM 0 H SER B 550 -21.134 -7.267 1.443 1.00 25.00 H new ATOM 0 HA SER B 550 -23.278 -8.210 3.207 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.590 -6.426 2.088 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.104 -5.793 2.769 1.00 25.00 H new ATOM 0 HG SER B 550 -23.471 -5.035 0.607 1.00 25.00 H new ATOM 1912 N SER B 551 -23.105 -8.869 -0.025 1.00 25.00 N ATOM 1913 CA SER B 551 -23.622 -9.741 -1.083 1.00 25.00 C ATOM 1914 C SER B 551 -22.524 -10.667 -1.616 1.00 25.00 C ATOM 1915 O SER B 551 -22.532 -11.860 -1.245 1.00 25.00 O ATOM 1916 CB SER B 551 -24.238 -8.906 -2.220 1.00 25.00 C ATOM 1917 OG SER B 551 -23.327 -7.932 -2.705 1.00 25.00 O ATOM 1918 OXT SER B 551 -21.656 -10.194 -2.385 1.00 25.00 O ATOM 0 H SER B 551 -22.308 -8.299 -0.307 1.00 25.00 H new ATOM 0 HA SER B 551 -24.406 -10.366 -0.656 1.00 25.00 H new ATOM 0 HB2 SER B 551 -24.536 -9.565 -3.036 1.00 25.00 H new ATOM 0 HB3 SER B 551 -25.142 -8.413 -1.862 1.00 25.00 H new ATOM 0 HG SER B 551 -22.512 -7.946 -2.161 1.00 25.00 H new