USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=18 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 640 TYR OH : rot -161:sc= 0.729 USER MOD Set 1.2: A 649 TYR OH : rot 49:sc= -1.16! USER MOD Set 2.1: A 631 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 656 LYS NZ :NH3+ -155:sc= -0.017 (180deg=-1.02) USER MOD Set 3.1: A 609 GLN : amide:sc= -0.0571 K(o=0.62,f=-6.1!) USER MOD Set 3.2: A 614 THR OG1 : rot 180:sc= 0.676 USER MOD Set 4.1: A 601 SER OG : rot -39:sc= 1.27 USER MOD Set 4.2: A 602 HIS : no HD1:sc= -0.0888 X(o=1.2,f=1.1) USER MOD Single : A 592 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -150:sc= 0.497 USER MOD Single : A 597 GLN : amide:sc= -0.628 K(o=-0.63,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 -149:sc= -0.221 (180deg=-0.526) USER MOD Single : A 627 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.2) 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 157:sc= -0.581 (180deg=-1.62) USER MOD Single : A 642 SER OG : rot -89:sc= -0.209 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 160:sc= -0.402 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 651 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-0.29) 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=-0.00372 K(o=-0.0037,f=-0.7) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 SER OG : rot -26:sc= 0.0816 USER MOD Single : B 540 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD Single : B 547 SER OG : rot -68:sc= 1.23 USER MOD Single : B 548 GLN : amide:sc= -3.71 K(o=-3.7,f=-5.4!) USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 551 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 23.938 -4.618 3.347 1.00 25.00 N ATOM 73 CA GLY A 590 23.440 -5.550 4.374 1.00 25.00 C ATOM 74 C GLY A 590 21.934 -5.852 4.292 1.00 25.00 C ATOM 75 O GLY A 590 21.482 -6.882 4.802 1.00 25.00 O ATOM 0 HA2 GLY A 590 23.990 -6.488 4.292 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.661 -5.137 5.358 1.00 25.00 H new ATOM 79 N TRP A 591 21.168 -4.959 3.638 1.00 25.00 N ATOM 80 CA TRP A 591 19.712 -5.133 3.441 1.00 25.00 C ATOM 81 C TRP A 591 19.381 -6.294 2.491 1.00 25.00 C ATOM 82 O TRP A 591 18.370 -6.973 2.671 1.00 25.00 O ATOM 83 CB TRP A 591 19.058 -3.819 2.936 1.00 25.00 C ATOM 84 CG TRP A 591 19.449 -3.350 1.539 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.411 -2.436 1.203 1.00 25.00 C ATOM 86 CD2 TRP A 591 18.863 -3.771 0.296 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.446 -2.247 -0.156 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.513 -3.064 -0.737 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.850 -4.678 -0.045 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.183 -3.234 -2.078 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.528 -4.845 -1.377 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.192 -4.126 -2.378 1.00 25.00 C ATOM 0 H TRP A 591 21.537 -4.099 3.232 1.00 25.00 H new ATOM 0 HA TRP A 591 19.294 -5.384 4.416 1.00 25.00 H new ATOM 0 HB2 TRP A 591 17.976 -3.947 2.961 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.302 -3.025 3.642 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.054 -1.933 1.910 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.064 -1.605 -0.651 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.331 -5.236 0.720 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.692 -2.681 -2.854 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.750 -5.542 -1.652 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.915 -4.280 -3.410 1.00 25.00 H new ATOM 103 N HIS A 592 20.247 -6.528 1.496 1.00 25.00 N ATOM 104 CA HIS A 592 20.059 -7.621 0.531 1.00 25.00 C ATOM 105 C HIS A 592 20.397 -8.987 1.164 1.00 25.00 C ATOM 106 O HIS A 592 20.070 -10.038 0.604 1.00 25.00 O ATOM 107 CB HIS A 592 20.925 -7.369 -0.717 1.00 25.00 C ATOM 108 CG HIS A 592 22.184 -8.191 -0.787 1.00 25.00 C ATOM 109 ND1 HIS A 592 23.283 -7.955 0.016 1.00 25.00 N ATOM 110 CD2 HIS A 592 22.511 -9.254 -1.563 1.00 25.00 C ATOM 111 CE1 HIS A 592 24.228 -8.836 -0.265 1.00 25.00 C ATOM 112 NE2 HIS A 592 23.784 -9.635 -1.218 1.00 25.00 N ATOM 0 H HIS A 592 21.088 -5.973 1.338 1.00 25.00 H new ATOM 0 HA HIS A 592 19.010 -7.646 0.236 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.326 -7.571 -1.605 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.195 -6.313 -0.748 1.00 25.00 H new ATOM 0 HD2 HIS A 592 21.886 -9.715 -2.313 1.00 25.00 H new ATOM 0 HE1 HIS A 592 25.199 -8.893 0.205 1.00 25.00 H new ATOM 0 HE2 HIS A 592 24.303 -10.410 -1.631 1.00 25.00 H new ATOM 121 N GLU A 593 21.043 -8.950 2.340 1.00 25.00 N ATOM 122 CA GLU A 593 21.419 -10.165 3.073 1.00 25.00 C ATOM 123 C GLU A 593 20.248 -10.724 3.894 1.00 25.00 C ATOM 124 O GLU A 593 20.244 -11.910 4.240 1.00 25.00 O ATOM 125 CB GLU A 593 22.619 -9.888 3.991 1.00 25.00 C ATOM 126 CG GLU A 593 23.892 -9.481 3.255 1.00 25.00 C ATOM 127 CD GLU A 593 25.085 -9.277 4.176 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.913 -8.641 5.238 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.187 -9.756 3.835 1.00 25.00 O ATOM 0 H GLU A 593 21.317 -8.084 2.805 1.00 25.00 H new ATOM 0 HA GLU A 593 21.696 -10.917 2.334 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.350 -9.098 4.692 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.824 -10.781 4.581 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.138 -10.247 2.519 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.705 -8.559 2.705 1.00 25.00 H new ATOM 136 N HIS A 594 19.259 -9.867 4.201 1.00 25.00 N ATOM 137 CA HIS A 594 18.072 -10.293 4.953 1.00 25.00 C ATOM 138 C HIS A 594 16.781 -10.196 4.129 1.00 25.00 C ATOM 139 O HIS A 594 15.815 -10.908 4.423 1.00 25.00 O ATOM 140 CB HIS A 594 17.916 -9.519 6.281 1.00 25.00 C ATOM 141 CG HIS A 594 19.007 -9.719 7.294 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.184 -10.899 7.983 1.00 25.00 N ATOM 143 CD2 HIS A 594 19.943 -8.866 7.767 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.178 -10.762 8.840 1.00 25.00 C ATOM 145 NE2 HIS A 594 20.659 -9.537 8.728 1.00 25.00 N ATOM 0 H HIS A 594 19.260 -8.881 3.940 1.00 25.00 H new ATOM 0 HA HIS A 594 18.237 -11.345 5.186 1.00 25.00 H new ATOM 0 HB2 HIS A 594 17.851 -8.455 6.053 1.00 25.00 H new ATOM 0 HB3 HIS A 594 16.968 -9.806 6.736 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.099 -7.846 7.448 1.00 25.00 H new ATOM 0 HE1 HIS A 594 20.537 -11.522 9.518 1.00 25.00 H new ATOM 0 HE2 HIS A 594 21.435 -9.152 9.267 1.00 25.00 H new ATOM 154 N VAL A 595 16.755 -9.328 3.097 1.00 25.00 N ATOM 155 CA VAL A 595 15.561 -9.202 2.244 1.00 25.00 C ATOM 156 C VAL A 595 15.533 -10.335 1.207 1.00 25.00 C ATOM 157 O VAL A 595 16.491 -10.532 0.453 1.00 25.00 O ATOM 158 CB VAL A 595 15.458 -7.804 1.543 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.290 -7.735 0.552 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.295 -6.706 2.580 1.00 25.00 C ATOM 0 H VAL A 595 17.530 -8.717 2.840 1.00 25.00 H new ATOM 0 HA VAL A 595 14.690 -9.285 2.895 1.00 25.00 H new ATOM 0 HB VAL A 595 16.384 -7.661 0.986 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.261 -6.747 0.092 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.424 -8.491 -0.221 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.354 -7.918 1.080 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.225 -5.740 2.079 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.387 -6.882 3.157 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.156 -6.706 3.249 1.00 25.00 H new ATOM 170 N THR A 596 14.416 -11.065 1.197 1.00 25.00 N ATOM 171 CA THR A 596 14.208 -12.190 0.282 1.00 25.00 C ATOM 172 C THR A 596 13.110 -11.879 -0.734 1.00 25.00 C ATOM 173 O THR A 596 12.584 -10.763 -0.769 1.00 25.00 O ATOM 174 CB THR A 596 13.825 -13.484 1.048 1.00 25.00 C ATOM 175 OG1 THR A 596 12.572 -13.313 1.722 1.00 25.00 O ATOM 176 CG2 THR A 596 14.894 -13.882 2.051 1.00 25.00 C ATOM 0 H THR A 596 13.629 -10.893 1.823 1.00 25.00 H new ATOM 0 HA THR A 596 15.153 -12.348 -0.238 1.00 25.00 H new ATOM 0 HB THR A 596 13.737 -14.283 0.312 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.557 -13.867 2.530 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.588 -14.792 2.567 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.835 -14.059 1.529 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.027 -13.081 2.778 1.00 25.00 H new ATOM 184 N GLN A 597 12.775 -12.877 -1.563 1.00 25.00 N ATOM 185 CA GLN A 597 11.583 -12.823 -2.414 1.00 25.00 C ATOM 186 C GLN A 597 10.317 -13.063 -1.575 1.00 25.00 C ATOM 187 O GLN A 597 9.207 -12.724 -1.998 1.00 25.00 O ATOM 188 CB GLN A 597 11.666 -13.862 -3.549 1.00 25.00 C ATOM 189 CG GLN A 597 12.673 -13.533 -4.657 1.00 25.00 C ATOM 190 CD GLN A 597 12.784 -14.584 -5.767 1.00 25.00 C ATOM 191 OE1 GLN A 597 13.625 -14.460 -6.659 1.00 25.00 O ATOM 192 NE2 GLN A 597 11.926 -15.603 -5.739 1.00 25.00 N ATOM 0 H GLN A 597 13.318 -13.735 -1.661 1.00 25.00 H new ATOM 0 HA GLN A 597 11.533 -11.830 -2.860 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.926 -14.829 -3.118 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.678 -13.968 -3.997 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.396 -12.580 -5.107 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.656 -13.399 -4.205 1.00 25.00 H new ATOM 0 HE21 GLN A 597 11.243 -15.674 -4.985 1.00 25.00 H new ATOM 0 HE22 GLN A 597 11.952 -16.312 -6.472 1.00 25.00 H new ATOM 201 N ASP A 598 10.509 -13.640 -0.372 1.00 25.00 N ATOM 202 CA ASP A 598 9.407 -13.962 0.539 1.00 25.00 C ATOM 203 C ASP A 598 9.001 -12.764 1.405 1.00 25.00 C ATOM 204 O ASP A 598 7.811 -12.598 1.696 1.00 25.00 O ATOM 205 CB ASP A 598 9.788 -15.149 1.429 1.00 25.00 C ATOM 206 CG ASP A 598 9.822 -16.469 0.675 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.228 -16.540 -0.422 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.443 -17.425 1.181 1.00 25.00 O ATOM 0 H ASP A 598 11.429 -13.892 -0.012 1.00 25.00 H new ATOM 0 HA ASP A 598 8.546 -14.227 -0.075 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.767 -14.965 1.872 1.00 25.00 H new ATOM 0 HB3 ASP A 598 9.075 -15.224 2.250 1.00 25.00 H new ATOM 213 N LEU A 599 9.980 -11.930 1.826 1.00 25.00 N ATOM 214 CA LEU A 599 9.680 -10.704 2.590 1.00 25.00 C ATOM 215 C LEU A 599 8.816 -9.736 1.779 1.00 25.00 C ATOM 216 O LEU A 599 7.800 -9.255 2.273 1.00 25.00 O ATOM 217 CB LEU A 599 10.970 -9.983 3.053 1.00 25.00 C ATOM 218 CG LEU A 599 11.303 -10.050 4.560 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.659 -9.422 4.812 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.279 -9.327 5.431 1.00 25.00 C ATOM 0 H LEU A 599 10.973 -12.084 1.650 1.00 25.00 H new ATOM 0 HA LEU A 599 9.124 -11.019 3.473 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.811 -10.403 2.500 1.00 25.00 H new ATOM 0 HB3 LEU A 599 10.893 -8.934 2.768 1.00 25.00 H new ATOM 0 HG LEU A 599 11.294 -11.106 4.831 1.00 25.00 H new ATOM 0 HD11 LEU A 599 12.891 -9.471 5.876 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.420 -9.962 4.250 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.643 -8.380 4.492 1.00 25.00 H new ATOM 0 HD21 LEU A 599 10.569 -9.410 6.478 1.00 25.00 H new ATOM 0 HD22 LEU A 599 10.239 -8.275 5.148 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.297 -9.779 5.289 1.00 25.00 H new ATOM 232 N ARG A 600 9.199 -9.508 0.511 1.00 25.00 N ATOM 233 CA ARG A 600 8.512 -8.546 -0.381 1.00 25.00 C ATOM 234 C ARG A 600 7.014 -8.846 -0.504 1.00 25.00 C ATOM 235 O ARG A 600 6.204 -7.940 -0.710 1.00 25.00 O ATOM 236 CB ARG A 600 9.136 -8.574 -1.786 1.00 25.00 C ATOM 237 CG ARG A 600 10.532 -7.982 -1.858 1.00 25.00 C ATOM 238 CD ARG A 600 11.096 -8.043 -3.269 1.00 25.00 C ATOM 239 NE ARG A 600 10.386 -7.142 -4.185 1.00 25.00 N ATOM 240 CZ ARG A 600 10.955 -6.492 -5.214 1.00 25.00 C ATOM 241 NH1 ARG A 600 12.252 -6.631 -5.489 1.00 25.00 N ATOM 242 NH2 ARG A 600 10.215 -5.696 -5.973 1.00 25.00 N ATOM 0 H ARG A 600 9.990 -9.981 0.073 1.00 25.00 H new ATOM 0 HA ARG A 600 8.635 -7.560 0.066 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.173 -9.606 -2.135 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.486 -8.029 -2.471 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.506 -6.946 -1.521 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.192 -8.522 -1.179 1.00 25.00 H new ATOM 0 HD2 ARG A 600 12.153 -7.779 -3.248 1.00 25.00 H new ATOM 0 HD3 ARG A 600 11.030 -9.065 -3.642 1.00 25.00 H new ATOM 0 HE ARG A 600 9.388 -6.999 -4.029 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.833 -7.240 -4.913 1.00 25.00 H new ATOM 0 HH12 ARG A 600 12.663 -6.128 -6.275 1.00 25.00 H new ATOM 0 HH21 ARG A 600 9.221 -5.581 -5.774 1.00 25.00 H new ATOM 0 HH22 ARG A 600 10.639 -5.199 -6.756 1.00 25.00 H new ATOM 256 N SER A 601 6.671 -10.131 -0.367 1.00 25.00 N ATOM 257 CA SER A 601 5.280 -10.595 -0.439 1.00 25.00 C ATOM 258 C SER A 601 4.516 -10.318 0.870 1.00 25.00 C ATOM 259 O SER A 601 3.307 -10.071 0.844 1.00 25.00 O ATOM 260 CB SER A 601 5.253 -12.096 -0.759 1.00 25.00 C ATOM 261 OG SER A 601 5.742 -12.867 0.326 1.00 25.00 O ATOM 0 H SER A 601 7.347 -10.877 -0.204 1.00 25.00 H new ATOM 0 HA SER A 601 4.781 -10.040 -1.233 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.233 -12.401 -0.993 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.856 -12.291 -1.646 1.00 25.00 H new ATOM 0 HG SER A 601 6.508 -12.411 0.732 1.00 25.00 H new ATOM 267 N HIS A 602 5.234 -10.362 2.007 1.00 25.00 N ATOM 268 CA HIS A 602 4.651 -10.061 3.328 1.00 25.00 C ATOM 269 C HIS A 602 4.622 -8.542 3.577 1.00 25.00 C ATOM 270 O HIS A 602 3.848 -8.052 4.402 1.00 25.00 O ATOM 271 CB HIS A 602 5.453 -10.780 4.429 1.00 25.00 C ATOM 272 CG HIS A 602 5.591 -12.265 4.232 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.550 -13.024 4.872 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.881 -13.127 3.465 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.424 -14.288 4.506 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.420 -14.377 3.654 1.00 25.00 N ATOM 0 H HIS A 602 6.224 -10.604 2.037 1.00 25.00 H new ATOM 0 HA HIS A 602 3.623 -10.423 3.350 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.449 -10.339 4.482 1.00 25.00 H new ATOM 0 HB3 HIS A 602 4.972 -10.597 5.390 1.00 25.00 H new ATOM 0 HD2 HIS A 602 4.047 -12.878 2.825 1.00 25.00 H new ATOM 0 HE1 HIS A 602 7.038 -15.108 4.846 1.00 25.00 H new ATOM 0 HE2 HIS A 602 5.096 -15.235 3.208 1.00 25.00 H new ATOM 285 N LEU A 603 5.483 -7.821 2.847 1.00 25.00 N ATOM 286 CA LEU A 603 5.516 -6.349 2.838 1.00 25.00 C ATOM 287 C LEU A 603 4.292 -5.795 2.096 1.00 25.00 C ATOM 288 O LEU A 603 3.791 -4.716 2.416 1.00 25.00 O ATOM 289 CB LEU A 603 6.815 -5.882 2.136 1.00 25.00 C ATOM 290 CG LEU A 603 8.176 -5.978 2.910 1.00 25.00 C ATOM 291 CD1 LEU A 603 9.343 -5.490 2.082 1.00 25.00 C ATOM 292 CD2 LEU A 603 8.189 -5.227 4.234 1.00 25.00 C ATOM 0 H LEU A 603 6.184 -8.245 2.239 1.00 25.00 H new ATOM 0 HA LEU A 603 5.495 -5.978 3.863 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.918 -6.459 1.217 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.675 -4.841 1.845 1.00 25.00 H new ATOM 0 HG LEU A 603 8.282 -7.043 3.118 1.00 25.00 H new ATOM 0 HD11 LEU A 603 10.262 -5.577 2.662 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.426 -6.094 1.178 1.00 25.00 H new ATOM 0 HD13 LEU A 603 9.184 -4.447 1.808 1.00 25.00 H new ATOM 0 HD21 LEU A 603 9.164 -5.342 4.708 1.00 25.00 H new ATOM 0 HD22 LEU A 603 7.995 -4.170 4.054 1.00 25.00 H new ATOM 0 HD23 LEU A 603 7.417 -5.631 4.889 1.00 25.00 H new ATOM 304 N VAL A 604 3.835 -6.566 1.096 1.00 25.00 N ATOM 305 CA VAL A 604 2.644 -6.260 0.312 1.00 25.00 C ATOM 306 C VAL A 604 1.371 -6.740 1.037 1.00 25.00 C ATOM 307 O VAL A 604 0.321 -6.104 0.934 1.00 25.00 O ATOM 308 CB VAL A 604 2.790 -6.897 -1.105 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.479 -6.965 -1.879 1.00 25.00 C ATOM 310 CG2 VAL A 604 3.799 -6.107 -1.913 1.00 25.00 C ATOM 0 H VAL A 604 4.295 -7.431 0.811 1.00 25.00 H new ATOM 0 HA VAL A 604 2.546 -5.181 0.196 1.00 25.00 H new ATOM 0 HB VAL A 604 3.124 -7.923 -0.951 1.00 25.00 H new ATOM 0 HG11 VAL A 604 1.655 -7.419 -2.854 1.00 25.00 H new ATOM 0 HG12 VAL A 604 0.759 -7.567 -1.324 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.083 -5.958 -2.013 1.00 25.00 H new ATOM 0 HG21 VAL A 604 3.901 -6.552 -2.903 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.459 -5.076 -2.012 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.764 -6.124 -1.406 1.00 25.00 H new ATOM 320 N HIS A 605 1.484 -7.859 1.771 1.00 25.00 N ATOM 321 CA HIS A 605 0.375 -8.395 2.575 1.00 25.00 C ATOM 322 C HIS A 605 0.168 -7.555 3.850 1.00 25.00 C ATOM 323 O HIS A 605 -0.879 -7.636 4.496 1.00 25.00 O ATOM 324 CB HIS A 605 0.639 -9.869 2.928 1.00 25.00 C ATOM 325 CG HIS A 605 -0.515 -10.563 3.600 1.00 25.00 C ATOM 326 ND1 HIS A 605 -1.678 -10.903 2.939 1.00 25.00 N ATOM 327 CD2 HIS A 605 -0.686 -10.970 4.884 1.00 25.00 C ATOM 328 CE1 HIS A 605 -2.511 -11.487 3.783 1.00 25.00 C ATOM 329 NE2 HIS A 605 -1.931 -11.539 4.969 1.00 25.00 N ATOM 0 H HIS A 605 2.339 -8.413 1.824 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.540 -8.339 1.985 1.00 25.00 H new ATOM 0 HB2 HIS A 605 0.891 -10.409 2.015 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.510 -9.923 3.581 1.00 25.00 H new ATOM 0 HD2 HIS A 605 0.026 -10.865 5.689 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -3.497 -11.858 3.544 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -2.343 -11.938 5.812 1.00 25.00 H new ATOM 338 N LYS A 606 1.191 -6.755 4.186 1.00 25.00 N ATOM 339 CA LYS A 606 1.153 -5.819 5.320 1.00 25.00 C ATOM 340 C LYS A 606 0.517 -4.503 4.850 1.00 25.00 C ATOM 341 O LYS A 606 -0.091 -3.757 5.620 1.00 25.00 O ATOM 342 CB LYS A 606 2.593 -5.571 5.802 1.00 25.00 C ATOM 343 CG LYS A 606 2.734 -4.702 7.046 1.00 25.00 C ATOM 344 CD LYS A 606 4.169 -4.662 7.515 1.00 25.00 C ATOM 345 CE LYS A 606 4.326 -3.751 8.721 1.00 25.00 C ATOM 346 NZ LYS A 606 5.711 -3.771 9.276 1.00 25.00 N ATOM 0 H LYS A 606 2.074 -6.739 3.675 1.00 25.00 H new ATOM 0 HA LYS A 606 0.565 -6.229 6.141 1.00 25.00 H new ATOM 0 HB2 LYS A 606 3.061 -6.535 6.000 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.153 -5.105 4.991 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.390 -3.691 6.829 1.00 25.00 H new ATOM 0 HG3 LYS A 606 2.098 -5.092 7.841 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.499 -5.669 7.771 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.810 -4.312 6.705 1.00 25.00 H new ATOM 0 HE2 LYS A 606 4.066 -2.731 8.438 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.623 -4.056 9.496 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.766 -3.134 10.096 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 5.952 -4.738 9.572 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 6.382 -3.455 8.547 1.00 25.00 H new ATOM 360 N LEU A 607 0.695 -4.274 3.554 1.00 25.00 N ATOM 361 CA LEU A 607 0.296 -3.067 2.856 1.00 25.00 C ATOM 362 C LEU A 607 -1.162 -3.150 2.367 1.00 25.00 C ATOM 363 O LEU A 607 -1.891 -2.162 2.426 1.00 25.00 O ATOM 364 CB LEU A 607 1.311 -2.915 1.722 1.00 25.00 C ATOM 365 CG LEU A 607 1.262 -1.687 0.789 1.00 25.00 C ATOM 366 CD1 LEU A 607 1.100 -0.358 1.517 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.547 -1.645 0.001 1.00 25.00 C ATOM 0 H LEU A 607 1.140 -4.955 2.939 1.00 25.00 H new ATOM 0 HA LEU A 607 0.305 -2.188 3.501 1.00 25.00 H new ATOM 0 HB2 LEU A 607 2.303 -2.938 2.173 1.00 25.00 H new ATOM 0 HB3 LEU A 607 1.226 -3.801 1.093 1.00 25.00 H new ATOM 0 HG LEU A 607 0.383 -1.805 0.156 1.00 25.00 H new ATOM 0 HD11 LEU A 607 1.074 0.454 0.790 1.00 25.00 H new ATOM 0 HD12 LEU A 607 0.170 -0.366 2.086 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.939 -0.211 2.196 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.536 -0.784 -0.667 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.391 -1.562 0.686 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.644 -2.558 -0.586 1.00 25.00 H new ATOM 379 N VAL A 608 -1.572 -4.344 1.910 1.00 25.00 N ATOM 380 CA VAL A 608 -2.956 -4.605 1.455 1.00 25.00 C ATOM 381 C VAL A 608 -3.924 -4.747 2.654 1.00 25.00 C ATOM 382 O VAL A 608 -5.123 -4.494 2.511 1.00 25.00 O ATOM 383 CB VAL A 608 -3.008 -5.879 0.535 1.00 25.00 C ATOM 384 CG1 VAL A 608 -4.436 -6.296 0.183 1.00 25.00 C ATOM 385 CG2 VAL A 608 -2.225 -5.649 -0.755 1.00 25.00 C ATOM 0 H VAL A 608 -0.959 -5.156 1.844 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.283 -3.747 0.867 1.00 25.00 H new ATOM 0 HB VAL A 608 -2.553 -6.686 1.110 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -4.410 -7.180 -0.454 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -4.985 -6.523 1.097 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -4.933 -5.483 -0.346 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -2.275 -6.544 -1.375 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.656 -4.807 -1.297 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -1.184 -5.432 -0.515 1.00 25.00 H new ATOM 395 N GLN A 609 -3.394 -5.129 3.827 1.00 25.00 N ATOM 396 CA GLN A 609 -4.222 -5.312 5.032 1.00 25.00 C ATOM 397 C GLN A 609 -4.457 -3.976 5.757 1.00 25.00 C ATOM 398 O GLN A 609 -5.455 -3.815 6.466 1.00 25.00 O ATOM 399 CB GLN A 609 -3.615 -6.366 5.976 1.00 25.00 C ATOM 400 CG GLN A 609 -3.557 -7.757 5.387 1.00 25.00 C ATOM 401 CD GLN A 609 -4.916 -8.297 4.982 1.00 25.00 C ATOM 402 OE1 GLN A 609 -5.859 -8.292 5.774 1.00 25.00 O ATOM 403 NE2 GLN A 609 -5.025 -8.762 3.742 1.00 25.00 N ATOM 0 H GLN A 609 -2.401 -5.317 3.967 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.194 -5.685 4.709 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.607 -6.056 6.250 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.200 -6.396 6.895 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -2.903 -7.747 4.515 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.108 -8.433 6.114 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -4.218 -8.747 3.119 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -5.916 -9.134 3.413 1.00 25.00 H new ATOM 412 N ALA A 610 -3.523 -3.030 5.567 1.00 25.00 N ATOM 413 CA ALA A 610 -3.660 -1.673 6.095 1.00 25.00 C ATOM 414 C ALA A 610 -4.643 -0.848 5.259 1.00 25.00 C ATOM 415 O ALA A 610 -5.343 0.019 5.788 1.00 25.00 O ATOM 416 CB ALA A 610 -2.301 -0.998 6.127 1.00 25.00 C ATOM 0 H ALA A 610 -2.660 -3.187 5.047 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.057 -1.737 7.108 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.406 0.013 6.521 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.627 -1.568 6.766 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -1.893 -0.953 5.117 1.00 25.00 H new ATOM 422 N ILE A 611 -4.696 -1.142 3.950 1.00 25.00 N ATOM 423 CA ILE A 611 -5.624 -0.474 3.028 1.00 25.00 C ATOM 424 C ILE A 611 -7.032 -1.084 3.182 1.00 25.00 C ATOM 425 O ILE A 611 -7.994 -0.361 3.454 1.00 25.00 O ATOM 426 CB ILE A 611 -5.125 -0.557 1.542 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.791 0.202 1.387 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.169 0.021 0.582 1.00 25.00 C ATOM 429 CD1 ILE A 611 -3.131 0.096 0.017 1.00 25.00 C ATOM 0 H ILE A 611 -4.102 -1.843 3.506 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.667 0.584 3.285 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.972 -1.607 1.292 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.965 1.255 1.607 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.093 -0.169 2.137 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.800 -0.048 -0.441 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -7.097 -0.543 0.672 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.354 1.066 0.831 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -2.201 0.665 0.016 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.917 -0.950 -0.204 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.802 0.497 -0.742 1.00 25.00 H new ATOM 441 N PHE A 612 -7.134 -2.410 3.001 1.00 25.00 N ATOM 442 CA PHE A 612 -8.368 -3.140 3.272 1.00 25.00 C ATOM 443 C PHE A 612 -8.049 -4.527 3.878 1.00 25.00 C ATOM 444 O PHE A 612 -7.508 -5.388 3.175 1.00 25.00 O ATOM 445 CB PHE A 612 -9.204 -3.282 1.979 1.00 25.00 C ATOM 446 CG PHE A 612 -10.567 -3.889 2.187 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.616 -3.108 2.643 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.799 -5.227 1.918 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.873 -3.649 2.827 1.00 25.00 C ATOM 450 CE2 PHE A 612 -12.055 -5.777 2.102 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.093 -4.987 2.557 1.00 25.00 C ATOM 0 H PHE A 612 -6.369 -2.995 2.666 1.00 25.00 H new ATOM 0 HA PHE A 612 -8.956 -2.578 3.997 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.323 -2.297 1.527 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.651 -3.895 1.268 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.449 -2.063 2.857 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.991 -5.848 1.561 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.683 -3.028 3.181 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -12.224 -6.822 1.890 1.00 25.00 H new ATOM 0 HZ PHE A 612 -14.075 -5.414 2.702 1.00 25.00 H new ATOM 461 N PRO A 613 -8.365 -4.776 5.195 1.00 25.00 N ATOM 462 CA PRO A 613 -8.226 -6.117 5.800 1.00 25.00 C ATOM 463 C PRO A 613 -9.238 -7.117 5.231 1.00 25.00 C ATOM 464 O PRO A 613 -10.423 -6.796 5.088 1.00 25.00 O ATOM 465 CB PRO A 613 -8.489 -5.889 7.299 1.00 25.00 C ATOM 466 CG PRO A 613 -9.333 -4.666 7.377 1.00 25.00 C ATOM 467 CD PRO A 613 -8.842 -3.797 6.199 1.00 25.00 C ATOM 0 HA PRO A 613 -7.244 -6.544 5.595 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -8.998 -6.745 7.742 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -7.555 -5.756 7.845 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -10.392 -4.905 7.282 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.206 -4.154 8.331 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -9.645 -3.178 5.800 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.043 -3.123 6.508 1.00 25.00 H new ATOM 475 N THR A 614 -8.759 -8.323 4.906 1.00 25.00 N ATOM 476 CA THR A 614 -9.601 -9.352 4.303 1.00 25.00 C ATOM 477 C THR A 614 -9.978 -10.460 5.294 1.00 25.00 C ATOM 478 O THR A 614 -9.110 -11.209 5.755 1.00 25.00 O ATOM 479 CB THR A 614 -8.948 -10.004 3.072 1.00 25.00 C ATOM 480 OG1 THR A 614 -7.706 -9.362 2.753 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.884 -9.979 1.876 1.00 25.00 C ATOM 0 H THR A 614 -7.790 -8.607 5.052 1.00 25.00 H new ATOM 0 HA THR A 614 -10.503 -8.825 3.994 1.00 25.00 H new ATOM 0 HB THR A 614 -8.743 -11.046 3.318 1.00 25.00 H new ATOM 0 HG1 THR A 614 -7.307 -9.793 1.969 1.00 25.00 H new ATOM 0 HG21 THR A 614 -9.395 -10.447 1.021 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.796 -10.526 2.116 1.00 25.00 H new ATOM 0 HG23 THR A 614 -10.134 -8.947 1.631 1.00 25.00 H new ATOM 489 N PRO A 615 -11.295 -10.565 5.652 1.00 25.00 N ATOM 490 CA PRO A 615 -11.852 -11.728 6.383 1.00 25.00 C ATOM 491 C PRO A 615 -11.679 -13.041 5.619 1.00 25.00 C ATOM 492 O PRO A 615 -11.182 -14.032 6.158 1.00 25.00 O ATOM 493 CB PRO A 615 -13.342 -11.396 6.483 1.00 25.00 C ATOM 494 CG PRO A 615 -13.395 -9.914 6.495 1.00 25.00 C ATOM 495 CD PRO A 615 -12.341 -9.538 5.421 1.00 25.00 C ATOM 0 HA PRO A 615 -11.352 -11.875 7.340 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -13.897 -11.806 5.639 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -13.782 -11.816 7.388 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -14.387 -9.540 6.240 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -13.142 -9.506 7.474 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -12.749 -9.589 4.412 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -11.959 -8.527 5.559 1.00 25.00 H new ATOM 503 N ASP A 616 -12.113 -13.016 4.356 1.00 25.00 N ATOM 504 CA ASP A 616 -12.019 -14.169 3.457 1.00 25.00 C ATOM 505 C ASP A 616 -10.929 -13.955 2.395 1.00 25.00 C ATOM 506 O ASP A 616 -10.968 -12.962 1.663 1.00 25.00 O ATOM 507 CB ASP A 616 -13.368 -14.430 2.772 1.00 25.00 C ATOM 508 CG ASP A 616 -13.419 -15.774 2.065 1.00 25.00 C ATOM 509 OD1 ASP A 616 -12.342 -16.330 1.769 1.00 25.00 O ATOM 510 OD2 ASP A 616 -14.538 -16.269 1.810 1.00 25.00 O ATOM 0 H ASP A 616 -12.540 -12.195 3.928 1.00 25.00 H new ATOM 0 HA ASP A 616 -11.751 -15.038 4.058 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -14.163 -14.386 3.516 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -13.563 -13.637 2.050 1.00 25.00 H new ATOM 515 N PRO A 617 -9.918 -14.884 2.301 1.00 25.00 N ATOM 516 CA PRO A 617 -8.863 -14.831 1.252 1.00 25.00 C ATOM 517 C PRO A 617 -9.399 -14.928 -0.191 1.00 25.00 C ATOM 518 O PRO A 617 -8.653 -14.702 -1.150 1.00 25.00 O ATOM 519 CB PRO A 617 -7.983 -16.052 1.570 1.00 25.00 C ATOM 520 CG PRO A 617 -8.241 -16.350 3.007 1.00 25.00 C ATOM 521 CD PRO A 617 -9.683 -16.031 3.221 1.00 25.00 C ATOM 0 HA PRO A 617 -8.343 -13.873 1.278 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -8.243 -16.901 0.938 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -6.929 -15.835 1.395 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -8.031 -17.395 3.236 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -7.604 -15.747 3.654 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -10.323 -16.879 2.979 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -9.887 -15.764 4.258 1.00 25.00 H new ATOM 529 N ALA A 618 -10.693 -15.263 -0.329 1.00 25.00 N ATOM 530 CA ALA A 618 -11.346 -15.396 -1.641 1.00 25.00 C ATOM 531 C ALA A 618 -11.665 -14.031 -2.277 1.00 25.00 C ATOM 532 O ALA A 618 -12.066 -13.963 -3.444 1.00 25.00 O ATOM 533 CB ALA A 618 -12.617 -16.225 -1.503 1.00 25.00 C ATOM 0 H ALA A 618 -11.312 -15.448 0.461 1.00 25.00 H new ATOM 0 HA ALA A 618 -10.647 -15.903 -2.307 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.097 -16.320 -2.477 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -12.366 -17.215 -1.123 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.299 -15.733 -0.810 1.00 25.00 H new ATOM 539 N ALA A 619 -11.474 -12.952 -1.501 1.00 25.00 N ATOM 540 CA ALA A 619 -11.712 -11.581 -1.974 1.00 25.00 C ATOM 541 C ALA A 619 -10.530 -11.040 -2.786 1.00 25.00 C ATOM 542 O ALA A 619 -10.675 -10.063 -3.528 1.00 25.00 O ATOM 543 CB ALA A 619 -11.981 -10.663 -0.794 1.00 25.00 C ATOM 0 H ALA A 619 -11.152 -13.006 -0.535 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.583 -11.609 -2.629 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.156 -9.649 -1.154 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -12.861 -11.013 -0.254 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.120 -10.667 -0.126 1.00 25.00 H new ATOM 549 N LEU A 620 -9.366 -11.688 -2.641 1.00 25.00 N ATOM 550 CA LEU A 620 -8.137 -11.265 -3.314 1.00 25.00 C ATOM 551 C LEU A 620 -8.077 -11.752 -4.774 1.00 25.00 C ATOM 552 O LEU A 620 -7.089 -11.510 -5.478 1.00 25.00 O ATOM 553 CB LEU A 620 -6.916 -11.784 -2.532 1.00 25.00 C ATOM 554 CG LEU A 620 -6.744 -11.247 -1.098 1.00 25.00 C ATOM 555 CD1 LEU A 620 -5.507 -11.854 -0.454 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.638 -9.723 -1.081 1.00 25.00 C ATOM 0 H LEU A 620 -9.253 -12.516 -2.056 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.128 -10.175 -3.337 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -6.977 -12.871 -2.485 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -6.018 -11.539 -3.099 1.00 25.00 H new ATOM 0 HG LEU A 620 -7.628 -11.534 -0.529 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.397 -11.466 0.559 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -5.610 -12.939 -0.418 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -4.626 -11.593 -1.040 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.518 -9.378 -0.054 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.777 -9.412 -1.672 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.544 -9.290 -1.505 1.00 25.00 H new ATOM 568 N LYS A 621 -9.146 -12.427 -5.220 1.00 25.00 N ATOM 569 CA LYS A 621 -9.236 -12.954 -6.589 1.00 25.00 C ATOM 570 C LYS A 621 -10.113 -12.048 -7.465 1.00 25.00 C ATOM 571 O LYS A 621 -10.524 -12.429 -8.568 1.00 25.00 O ATOM 572 CB LYS A 621 -9.796 -14.392 -6.576 1.00 25.00 C ATOM 573 CG LYS A 621 -8.932 -15.426 -5.842 1.00 25.00 C ATOM 574 CD LYS A 621 -9.627 -16.771 -5.676 1.00 25.00 C ATOM 575 CE LYS A 621 -8.744 -17.740 -4.931 1.00 25.00 C ATOM 576 NZ LYS A 621 -9.412 -19.051 -4.705 1.00 25.00 N ATOM 0 H LYS A 621 -9.967 -12.622 -4.647 1.00 25.00 H new ATOM 0 HA LYS A 621 -8.232 -12.973 -7.014 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -10.784 -14.375 -6.115 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -9.931 -14.721 -7.606 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -8.001 -15.569 -6.391 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.666 -15.037 -4.859 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -10.565 -16.637 -5.136 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -9.878 -17.179 -6.655 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -7.823 -17.896 -5.493 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -8.462 -17.308 -3.971 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -8.768 -19.685 -4.190 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -10.277 -18.908 -4.146 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -9.658 -19.478 -5.621 1.00 25.00 H new ATOM 590 N ASP A 622 -10.375 -10.835 -6.962 1.00 25.00 N ATOM 591 CA ASP A 622 -11.243 -9.865 -7.629 1.00 25.00 C ATOM 592 C ASP A 622 -10.434 -8.980 -8.590 1.00 25.00 C ATOM 593 O ASP A 622 -9.233 -8.766 -8.399 1.00 25.00 O ATOM 594 CB ASP A 622 -11.948 -9.013 -6.562 1.00 25.00 C ATOM 595 CG ASP A 622 -13.199 -8.318 -7.079 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.065 -7.385 -7.897 1.00 25.00 O ATOM 597 OD2 ASP A 622 -14.310 -8.710 -6.664 1.00 25.00 O ATOM 0 H ASP A 622 -9.989 -10.501 -6.079 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.990 -10.393 -8.222 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.216 -9.648 -5.718 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.252 -8.262 -6.188 1.00 25.00 H new ATOM 602 N ARG A 623 -11.126 -8.472 -9.622 1.00 25.00 N ATOM 603 CA ARG A 623 -10.506 -7.665 -10.692 1.00 25.00 C ATOM 604 C ARG A 623 -10.296 -6.229 -10.232 1.00 25.00 C ATOM 605 O ARG A 623 -9.301 -5.590 -10.576 1.00 25.00 O ATOM 606 CB ARG A 623 -11.395 -7.650 -11.949 1.00 25.00 C ATOM 607 CG ARG A 623 -11.570 -9.011 -12.606 1.00 25.00 C ATOM 608 CD ARG A 623 -10.424 -9.361 -13.556 1.00 25.00 C ATOM 609 NE ARG A 623 -9.215 -9.803 -12.845 1.00 25.00 N ATOM 610 CZ ARG A 623 -9.085 -10.979 -12.211 1.00 25.00 C ATOM 611 NH1 ARG A 623 -10.085 -11.859 -12.177 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.942 -11.273 -11.608 1.00 25.00 N ATOM 0 H ARG A 623 -12.130 -8.607 -9.741 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.544 -8.120 -10.927 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -12.377 -7.260 -11.681 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -10.965 -6.961 -12.676 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.642 -9.776 -11.833 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -12.510 -9.025 -13.157 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -10.749 -10.148 -14.237 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -10.184 -8.490 -14.166 1.00 25.00 H new ATOM 0 HE ARG A 623 -8.416 -9.169 -12.833 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -10.969 -11.644 -12.638 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -9.966 -12.747 -11.690 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.169 -10.608 -11.628 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -7.835 -12.165 -11.124 1.00 25.00 H new ATOM 626 N ARG A 624 -11.271 -5.739 -9.459 1.00 25.00 N ATOM 627 CA ARG A 624 -11.246 -4.372 -8.906 1.00 25.00 C ATOM 628 C ARG A 624 -10.216 -4.226 -7.775 1.00 25.00 C ATOM 629 O ARG A 624 -9.683 -3.135 -7.556 1.00 25.00 O ATOM 630 CB ARG A 624 -12.637 -3.970 -8.397 1.00 25.00 C ATOM 631 CG ARG A 624 -13.667 -3.776 -9.504 1.00 25.00 C ATOM 632 CD ARG A 624 -15.008 -3.317 -8.951 1.00 25.00 C ATOM 633 NE ARG A 624 -15.690 -4.385 -8.209 1.00 25.00 N ATOM 634 CZ ARG A 624 -17.005 -4.416 -7.945 1.00 25.00 C ATOM 635 NH1 ARG A 624 -17.816 -3.442 -8.356 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.512 -5.435 -7.263 1.00 25.00 N ATOM 0 H ARG A 624 -12.099 -6.274 -9.197 1.00 25.00 H new ATOM 0 HA ARG A 624 -10.950 -3.705 -9.716 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.997 -4.735 -7.709 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.551 -3.045 -7.827 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.298 -3.041 -10.220 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.798 -4.712 -10.047 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -14.856 -2.460 -8.295 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -15.643 -2.982 -9.771 1.00 25.00 H new ATOM 0 HE ARG A 624 -15.122 -5.161 -7.869 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -17.440 -2.653 -8.882 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -18.813 -3.485 -8.145 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -16.903 -6.188 -6.943 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.511 -5.465 -7.059 1.00 25.00 H new ATOM 650 N MET A 625 -9.940 -5.334 -7.070 1.00 25.00 N ATOM 651 CA MET A 625 -8.968 -5.349 -5.969 1.00 25.00 C ATOM 652 C MET A 625 -7.532 -5.459 -6.502 1.00 25.00 C ATOM 653 O MET A 625 -6.609 -4.857 -5.945 1.00 25.00 O ATOM 654 CB MET A 625 -9.272 -6.519 -5.019 1.00 25.00 C ATOM 655 CG MET A 625 -8.315 -6.634 -3.833 1.00 25.00 C ATOM 656 SD MET A 625 -8.302 -5.155 -2.799 1.00 25.00 S ATOM 657 CE MET A 625 -8.454 -5.886 -1.175 1.00 25.00 C ATOM 0 H MET A 625 -10.381 -6.237 -7.246 1.00 25.00 H new ATOM 0 HA MET A 625 -9.054 -4.410 -5.422 1.00 25.00 H new ATOM 0 HB2 MET A 625 -10.288 -6.409 -4.641 1.00 25.00 H new ATOM 0 HB3 MET A 625 -9.242 -7.449 -5.586 1.00 25.00 H new ATOM 0 HG2 MET A 625 -8.598 -7.494 -3.226 1.00 25.00 H new ATOM 0 HG3 MET A 625 -7.307 -6.822 -4.202 1.00 25.00 H new ATOM 0 HE1 MET A 625 -8.992 -5.203 -0.517 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.002 -6.825 -1.249 1.00 25.00 H new ATOM 0 HE3 MET A 625 -7.461 -6.076 -0.767 1.00 25.00 H new ATOM 667 N GLU A 626 -7.366 -6.243 -7.578 1.00 25.00 N ATOM 668 CA GLU A 626 -6.066 -6.449 -8.239 1.00 25.00 C ATOM 669 C GLU A 626 -5.414 -5.119 -8.688 1.00 25.00 C ATOM 670 O GLU A 626 -4.198 -5.062 -8.902 1.00 25.00 O ATOM 671 CB GLU A 626 -6.246 -7.397 -9.439 1.00 25.00 C ATOM 672 CG GLU A 626 -4.947 -7.765 -10.155 1.00 25.00 C ATOM 673 CD GLU A 626 -5.151 -8.817 -11.228 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.003 -8.603 -12.115 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.461 -9.857 -11.179 1.00 25.00 O ATOM 0 H GLU A 626 -8.132 -6.754 -8.017 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.389 -6.898 -7.512 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.728 -8.312 -9.094 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.922 -6.931 -10.156 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.519 -6.870 -10.606 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -4.225 -8.131 -9.425 1.00 25.00 H new ATOM 682 N ASN A 627 -6.234 -4.062 -8.819 1.00 25.00 N ATOM 683 CA ASN A 627 -5.762 -2.736 -9.254 1.00 25.00 C ATOM 684 C ASN A 627 -4.909 -2.034 -8.186 1.00 25.00 C ATOM 685 O ASN A 627 -3.953 -1.334 -8.529 1.00 25.00 O ATOM 686 CB ASN A 627 -6.950 -1.844 -9.645 1.00 25.00 C ATOM 687 CG ASN A 627 -7.595 -2.247 -10.964 1.00 25.00 C ATOM 688 OD1 ASN A 627 -6.973 -2.887 -11.814 1.00 25.00 O ATOM 689 ND2 ASN A 627 -8.854 -1.867 -11.144 1.00 25.00 N ATOM 0 H ASN A 627 -7.235 -4.102 -8.628 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.125 -2.898 -10.124 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.700 -1.882 -8.855 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.612 -0.810 -9.714 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.339 -2.104 -12.009 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.336 -1.338 -10.417 1.00 25.00 H new ATOM 696 N LEU A 628 -5.254 -2.219 -6.895 1.00 25.00 N ATOM 697 CA LEU A 628 -4.469 -1.627 -5.802 1.00 25.00 C ATOM 698 C LEU A 628 -3.307 -2.553 -5.412 1.00 25.00 C ATOM 699 O LEU A 628 -2.265 -2.084 -4.947 1.00 25.00 O ATOM 700 CB LEU A 628 -5.368 -1.218 -4.592 1.00 25.00 C ATOM 701 CG LEU A 628 -6.429 -0.106 -4.773 1.00 25.00 C ATOM 702 CD1 LEU A 628 -7.294 0.046 -3.532 1.00 25.00 C ATOM 703 CD2 LEU A 628 -5.745 1.214 -5.048 1.00 25.00 C ATOM 0 H LEU A 628 -6.059 -2.766 -6.591 1.00 25.00 H new ATOM 0 HA LEU A 628 -4.027 -0.697 -6.159 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -5.888 -2.114 -4.254 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.706 -0.909 -3.783 1.00 25.00 H new ATOM 0 HG LEU A 628 -7.064 -0.390 -5.612 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -8.028 0.835 -3.694 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.810 -0.893 -3.331 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.665 0.305 -2.680 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -6.496 1.994 -5.175 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -5.095 1.469 -4.211 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -5.150 1.133 -5.957 1.00 25.00 H new ATOM 715 N VAL A 629 -3.508 -3.872 -5.592 1.00 25.00 N ATOM 716 CA VAL A 629 -2.431 -4.874 -5.451 1.00 25.00 C ATOM 717 C VAL A 629 -1.256 -4.512 -6.378 1.00 25.00 C ATOM 718 O VAL A 629 -0.092 -4.765 -6.058 1.00 25.00 O ATOM 719 CB VAL A 629 -2.968 -6.306 -5.784 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.851 -7.351 -5.894 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.997 -6.748 -4.745 1.00 25.00 C ATOM 0 H VAL A 629 -4.414 -4.272 -5.837 1.00 25.00 H new ATOM 0 HA VAL A 629 -2.081 -4.872 -4.419 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.442 -6.239 -6.763 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -2.284 -8.324 -6.126 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -1.160 -7.063 -6.686 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -1.313 -7.410 -4.948 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -4.359 -7.746 -4.993 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -3.534 -6.765 -3.758 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.833 -6.049 -4.741 1.00 25.00 H new ATOM 731 N ALA A 630 -1.603 -3.907 -7.518 1.00 25.00 N ATOM 732 CA ALA A 630 -0.634 -3.442 -8.498 1.00 25.00 C ATOM 733 C ALA A 630 -0.030 -2.088 -8.095 1.00 25.00 C ATOM 734 O ALA A 630 1.035 -1.706 -8.587 1.00 25.00 O ATOM 735 CB ALA A 630 -1.307 -3.370 -9.856 1.00 25.00 C ATOM 0 H ALA A 630 -2.572 -3.728 -7.782 1.00 25.00 H new ATOM 0 HA ALA A 630 0.196 -4.147 -8.546 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.590 -3.022 -10.600 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.669 -4.359 -10.136 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.147 -2.676 -9.810 1.00 25.00 H new ATOM 741 N TYR A 631 -0.727 -1.371 -7.192 1.00 25.00 N ATOM 742 CA TYR A 631 -0.186 -0.171 -6.537 1.00 25.00 C ATOM 743 C TYR A 631 0.860 -0.571 -5.479 1.00 25.00 C ATOM 744 O TYR A 631 1.912 0.063 -5.369 1.00 25.00 O ATOM 745 CB TYR A 631 -1.341 0.673 -5.904 1.00 25.00 C ATOM 746 CG TYR A 631 -0.897 1.874 -5.068 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.354 3.004 -5.681 1.00 25.00 C ATOM 748 CD2 TYR A 631 -1.065 1.893 -3.685 1.00 25.00 C ATOM 749 CE1 TYR A 631 0.005 4.110 -4.936 1.00 25.00 C ATOM 750 CE2 TYR A 631 -0.700 2.995 -2.938 1.00 25.00 C ATOM 751 CZ TYR A 631 -0.010 4.016 -3.530 1.00 25.00 C ATOM 752 OH TYR A 631 0.184 5.203 -2.824 1.00 25.00 O ATOM 0 H TYR A 631 -1.675 -1.608 -6.900 1.00 25.00 H new ATOM 0 HA TYR A 631 0.308 0.450 -7.284 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -1.988 1.030 -6.705 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.944 0.018 -5.275 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.213 3.014 -6.752 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.488 1.032 -3.189 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.292 5.031 -5.422 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -0.958 3.050 -1.891 1.00 25.00 H new ATOM 0 HH TYR A 631 0.153 5.020 -1.862 1.00 25.00 H new ATOM 762 N ALA A 632 0.554 -1.632 -4.721 1.00 25.00 N ATOM 763 CA ALA A 632 1.393 -2.067 -3.602 1.00 25.00 C ATOM 764 C ALA A 632 2.610 -2.864 -4.076 1.00 25.00 C ATOM 765 O ALA A 632 3.702 -2.736 -3.515 1.00 25.00 O ATOM 766 CB ALA A 632 0.582 -2.901 -2.640 1.00 25.00 C ATOM 0 H ALA A 632 -0.276 -2.207 -4.866 1.00 25.00 H new ATOM 0 HA ALA A 632 1.756 -1.171 -3.098 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.215 -3.219 -1.812 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.248 -2.309 -2.255 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.193 -3.778 -3.157 1.00 25.00 H new ATOM 772 N LYS A 633 2.404 -3.693 -5.113 1.00 25.00 N ATOM 773 CA LYS A 633 3.474 -4.491 -5.729 1.00 25.00 C ATOM 774 C LYS A 633 4.510 -3.585 -6.424 1.00 25.00 C ATOM 775 O LYS A 633 5.656 -3.986 -6.649 1.00 25.00 O ATOM 776 CB LYS A 633 2.851 -5.448 -6.760 1.00 25.00 C ATOM 777 CG LYS A 633 2.270 -6.742 -6.189 1.00 25.00 C ATOM 778 CD LYS A 633 1.687 -7.643 -7.274 1.00 25.00 C ATOM 779 CE LYS A 633 1.590 -9.098 -6.828 1.00 25.00 C ATOM 780 NZ LYS A 633 0.643 -9.891 -7.668 1.00 25.00 N ATOM 0 H LYS A 633 1.491 -3.828 -5.547 1.00 25.00 H new ATOM 0 HA LYS A 633 3.986 -5.056 -4.950 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.060 -4.918 -7.290 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.612 -5.706 -7.497 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.050 -7.282 -5.652 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.493 -6.500 -5.464 1.00 25.00 H new ATOM 0 HD2 LYS A 633 0.696 -7.283 -7.548 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.308 -7.580 -8.168 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.579 -9.555 -6.871 1.00 25.00 H new ATOM 0 HE3 LYS A 633 1.267 -9.135 -5.788 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.613 -10.872 -7.325 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 -0.308 -9.474 -7.608 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 0.964 -9.880 -8.657 1.00 25.00 H new ATOM 794 N LYS A 634 4.071 -2.359 -6.748 1.00 25.00 N ATOM 795 CA LYS A 634 4.882 -1.366 -7.458 1.00 25.00 C ATOM 796 C LYS A 634 5.754 -0.531 -6.498 1.00 25.00 C ATOM 797 O LYS A 634 6.895 -0.198 -6.836 1.00 25.00 O ATOM 798 CB LYS A 634 3.942 -0.448 -8.269 1.00 25.00 C ATOM 799 CG LYS A 634 4.643 0.612 -9.132 1.00 25.00 C ATOM 800 CD LYS A 634 5.762 0.021 -9.994 1.00 25.00 C ATOM 801 CE LYS A 634 6.673 1.096 -10.587 1.00 25.00 C ATOM 802 NZ LYS A 634 7.756 0.505 -11.421 1.00 25.00 N ATOM 0 H LYS A 634 3.133 -2.029 -6.521 1.00 25.00 H new ATOM 0 HA LYS A 634 5.566 -1.891 -8.125 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.324 -1.070 -8.917 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.269 0.058 -7.577 1.00 25.00 H new ATOM 0 HG2 LYS A 634 3.908 1.094 -9.777 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.057 1.386 -8.486 1.00 25.00 H new ATOM 0 HD2 LYS A 634 6.358 -0.664 -9.391 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.323 -0.565 -10.802 1.00 25.00 H new ATOM 0 HE2 LYS A 634 6.080 1.781 -11.193 1.00 25.00 H new ATOM 0 HE3 LYS A 634 7.114 1.683 -9.782 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 8.352 1.265 -11.805 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 8.337 -0.129 -10.837 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 7.336 -0.035 -12.204 1.00 25.00 H new ATOM 816 N VAL A 635 5.215 -0.203 -5.311 1.00 25.00 N ATOM 817 CA VAL A 635 5.846 0.783 -4.414 1.00 25.00 C ATOM 818 C VAL A 635 7.187 0.307 -3.825 1.00 25.00 C ATOM 819 O VAL A 635 8.173 1.042 -3.890 1.00 25.00 O ATOM 820 CB VAL A 635 4.887 1.279 -3.281 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.677 1.977 -2.181 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.775 2.202 -3.787 1.00 25.00 C ATOM 0 H VAL A 635 4.349 -0.603 -4.951 1.00 25.00 H new ATOM 0 HA VAL A 635 6.065 1.636 -5.057 1.00 25.00 H new ATOM 0 HB VAL A 635 4.402 0.388 -2.883 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.994 2.315 -1.402 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.399 1.281 -1.754 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.204 2.835 -2.599 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.147 2.508 -2.950 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.217 3.084 -4.251 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.168 1.672 -4.521 1.00 25.00 H new ATOM 832 N GLU A 636 7.233 -0.927 -3.291 1.00 25.00 N ATOM 833 CA GLU A 636 8.468 -1.475 -2.677 1.00 25.00 C ATOM 834 C GLU A 636 9.619 -1.638 -3.687 1.00 25.00 C ATOM 835 O GLU A 636 10.789 -1.691 -3.292 1.00 25.00 O ATOM 836 CB GLU A 636 8.223 -2.809 -1.952 1.00 25.00 C ATOM 837 CG GLU A 636 7.901 -3.972 -2.861 1.00 25.00 C ATOM 838 CD GLU A 636 7.636 -5.252 -2.097 1.00 25.00 C ATOM 839 OE1 GLU A 636 8.061 -5.346 -0.927 1.00 25.00 O ATOM 840 OE2 GLU A 636 6.995 -6.158 -2.668 1.00 25.00 O ATOM 0 H GLU A 636 6.437 -1.565 -3.269 1.00 25.00 H new ATOM 0 HA GLU A 636 8.769 -0.731 -1.940 1.00 25.00 H new ATOM 0 HB2 GLU A 636 9.109 -3.057 -1.367 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.402 -2.678 -1.247 1.00 25.00 H new ATOM 0 HG2 GLU A 636 7.027 -3.726 -3.464 1.00 25.00 H new ATOM 0 HG3 GLU A 636 8.730 -4.130 -3.551 1.00 25.00 H new ATOM 847 N GLY A 637 9.276 -1.714 -4.984 1.00 25.00 N ATOM 848 CA GLY A 637 10.283 -1.788 -6.044 1.00 25.00 C ATOM 849 C GLY A 637 11.010 -0.463 -6.259 1.00 25.00 C ATOM 850 O GLY A 637 12.153 -0.445 -6.725 1.00 25.00 O ATOM 0 H GLY A 637 8.312 -1.725 -5.318 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.010 -2.561 -5.795 1.00 25.00 H new ATOM 0 HA3 GLY A 637 9.803 -2.090 -6.975 1.00 25.00 H new ATOM 854 N ASP A 638 10.330 0.640 -5.917 1.00 25.00 N ATOM 855 CA ASP A 638 10.909 1.986 -5.982 1.00 25.00 C ATOM 856 C ASP A 638 11.643 2.329 -4.669 1.00 25.00 C ATOM 857 O ASP A 638 12.480 3.236 -4.637 1.00 25.00 O ATOM 858 CB ASP A 638 9.799 3.012 -6.272 1.00 25.00 C ATOM 859 CG ASP A 638 9.156 2.834 -7.640 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.891 2.536 -8.606 1.00 25.00 O ATOM 861 OD2 ASP A 638 7.921 2.992 -7.741 1.00 25.00 O ATOM 0 H ASP A 638 9.365 0.623 -5.588 1.00 25.00 H new ATOM 0 HA ASP A 638 11.640 2.019 -6.790 1.00 25.00 H new ATOM 0 HB2 ASP A 638 9.030 2.932 -5.504 1.00 25.00 H new ATOM 0 HB3 ASP A 638 10.216 4.017 -6.202 1.00 25.00 H new ATOM 866 N MET A 639 11.314 1.586 -3.598 1.00 25.00 N ATOM 867 CA MET A 639 11.916 1.778 -2.269 1.00 25.00 C ATOM 868 C MET A 639 13.386 1.339 -2.215 1.00 25.00 C ATOM 869 O MET A 639 14.157 1.843 -1.396 1.00 25.00 O ATOM 870 CB MET A 639 11.117 1.002 -1.221 1.00 25.00 C ATOM 871 CG MET A 639 9.720 1.547 -0.984 1.00 25.00 C ATOM 872 SD MET A 639 9.682 3.330 -0.738 1.00 25.00 S ATOM 873 CE MET A 639 9.094 3.848 -2.336 1.00 25.00 C ATOM 0 H MET A 639 10.623 0.836 -3.630 1.00 25.00 H new ATOM 0 HA MET A 639 11.886 2.847 -2.058 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.042 -0.039 -1.534 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.665 1.013 -0.279 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.089 1.291 -1.835 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.290 1.058 -0.110 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.630 4.831 -2.252 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.931 3.901 -3.032 1.00 25.00 H new ATOM 0 HE3 MET A 639 8.361 3.130 -2.704 1.00 25.00 H new ATOM 883 N TYR A 640 13.763 0.400 -3.097 1.00 25.00 N ATOM 884 CA TYR A 640 15.125 -0.150 -3.130 1.00 25.00 C ATOM 885 C TYR A 640 16.102 0.819 -3.820 1.00 25.00 C ATOM 886 O TYR A 640 17.307 0.779 -3.562 1.00 25.00 O ATOM 887 CB TYR A 640 15.119 -1.511 -3.847 1.00 25.00 C ATOM 888 CG TYR A 640 14.349 -2.602 -3.118 1.00 25.00 C ATOM 889 CD1 TYR A 640 13.175 -3.126 -3.655 1.00 25.00 C ATOM 890 CD2 TYR A 640 14.797 -3.110 -1.904 1.00 25.00 C ATOM 891 CE1 TYR A 640 12.472 -4.121 -3.001 1.00 25.00 C ATOM 892 CE2 TYR A 640 14.097 -4.104 -1.244 1.00 25.00 C ATOM 893 CZ TYR A 640 12.936 -4.605 -1.797 1.00 25.00 C ATOM 894 OH TYR A 640 12.240 -5.594 -1.144 1.00 25.00 O ATOM 0 H TYR A 640 13.139 0.005 -3.800 1.00 25.00 H new ATOM 0 HA TYR A 640 15.466 -0.287 -2.104 1.00 25.00 H new ATOM 0 HB2 TYR A 640 14.690 -1.383 -4.841 1.00 25.00 H new ATOM 0 HB3 TYR A 640 16.149 -1.840 -3.985 1.00 25.00 H new ATOM 0 HD1 TYR A 640 12.808 -2.749 -4.598 1.00 25.00 H new ATOM 0 HD2 TYR A 640 15.706 -2.722 -1.469 1.00 25.00 H new ATOM 0 HE1 TYR A 640 11.564 -4.517 -3.431 1.00 25.00 H new ATOM 0 HE2 TYR A 640 14.457 -4.486 -0.300 1.00 25.00 H new ATOM 0 HH TYR A 640 12.507 -5.614 -0.201 1.00 25.00 H new ATOM 904 N GLU A 641 15.565 1.676 -4.698 1.00 25.00 N ATOM 905 CA GLU A 641 16.361 2.704 -5.384 1.00 25.00 C ATOM 906 C GLU A 641 16.422 4.011 -4.579 1.00 25.00 C ATOM 907 O GLU A 641 17.353 4.804 -4.746 1.00 25.00 O ATOM 908 CB GLU A 641 15.793 2.982 -6.788 1.00 25.00 C ATOM 909 CG GLU A 641 16.070 1.889 -7.815 1.00 25.00 C ATOM 910 CD GLU A 641 17.534 1.792 -8.213 1.00 25.00 C ATOM 911 OE1 GLU A 641 18.102 2.820 -8.643 1.00 25.00 O ATOM 912 OE2 GLU A 641 18.112 0.692 -8.093 1.00 25.00 O ATOM 0 H GLU A 641 14.577 1.678 -4.952 1.00 25.00 H new ATOM 0 HA GLU A 641 17.376 2.317 -5.476 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.715 3.122 -6.708 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.210 3.920 -7.155 1.00 25.00 H new ATOM 0 HG2 GLU A 641 15.747 0.930 -7.410 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.471 2.077 -8.706 1.00 25.00 H new ATOM 919 N SER A 642 15.427 4.219 -3.701 1.00 25.00 N ATOM 920 CA SER A 642 15.315 5.458 -2.921 1.00 25.00 C ATOM 921 C SER A 642 15.929 5.323 -1.521 1.00 25.00 C ATOM 922 O SER A 642 16.569 6.259 -1.033 1.00 25.00 O ATOM 923 CB SER A 642 13.845 5.879 -2.805 1.00 25.00 C ATOM 924 OG SER A 642 13.054 4.836 -2.261 1.00 25.00 O ATOM 0 H SER A 642 14.688 3.541 -3.515 1.00 25.00 H new ATOM 0 HA SER A 642 15.878 6.225 -3.454 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.766 6.765 -2.175 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.464 6.153 -3.789 1.00 25.00 H new ATOM 0 HG SER A 642 12.724 4.264 -2.985 1.00 25.00 H new ATOM 930 N ALA A 643 15.734 4.158 -0.884 1.00 25.00 N ATOM 931 CA ALA A 643 16.229 3.916 0.478 1.00 25.00 C ATOM 932 C ALA A 643 17.645 3.335 0.471 1.00 25.00 C ATOM 933 O ALA A 643 18.057 2.693 -0.500 1.00 25.00 O ATOM 934 CB ALA A 643 15.281 2.989 1.228 1.00 25.00 C ATOM 0 H ALA A 643 15.235 3.367 -1.293 1.00 25.00 H new ATOM 0 HA ALA A 643 16.269 4.877 0.991 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.660 2.818 2.236 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.293 3.447 1.285 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.210 2.037 0.701 1.00 25.00 H new ATOM 940 N ASN A 644 18.383 3.577 1.564 1.00 25.00 N ATOM 941 CA ASN A 644 19.760 3.090 1.711 1.00 25.00 C ATOM 942 C ASN A 644 19.904 2.199 2.959 1.00 25.00 C ATOM 943 O ASN A 644 20.900 1.482 3.102 1.00 25.00 O ATOM 944 CB ASN A 644 20.729 4.286 1.793 1.00 25.00 C ATOM 945 CG ASN A 644 20.830 5.074 0.493 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.422 4.613 -0.481 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.262 6.276 0.484 1.00 25.00 N ATOM 0 H ASN A 644 18.045 4.111 2.364 1.00 25.00 H new ATOM 0 HA ASN A 644 20.007 2.485 0.838 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.403 4.954 2.590 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.720 3.923 2.067 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.307 6.855 -0.354 1.00 25.00 H new ATOM 0 HD22 ASN A 644 19.781 6.619 1.315 1.00 25.00 H new ATOM 954 N SER A 645 18.899 2.240 3.846 1.00 25.00 N ATOM 955 CA SER A 645 18.946 1.505 5.113 1.00 25.00 C ATOM 956 C SER A 645 17.643 0.725 5.341 1.00 25.00 C ATOM 957 O SER A 645 16.638 0.972 4.671 1.00 25.00 O ATOM 958 CB SER A 645 19.193 2.484 6.275 1.00 25.00 C ATOM 959 OG SER A 645 18.024 3.225 6.591 1.00 25.00 O ATOM 0 H SER A 645 18.043 2.777 3.706 1.00 25.00 H new ATOM 0 HA SER A 645 19.766 0.788 5.069 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.522 1.930 7.154 1.00 25.00 H new ATOM 0 HB3 SER A 645 19.998 3.169 6.010 1.00 25.00 H new ATOM 0 HG SER A 645 18.101 3.585 7.499 1.00 25.00 H new ATOM 965 N ARG A 646 17.677 -0.218 6.303 1.00 25.00 N ATOM 966 CA ARG A 646 16.519 -1.067 6.639 1.00 25.00 C ATOM 967 C ARG A 646 15.390 -0.254 7.308 1.00 25.00 C ATOM 968 O ARG A 646 14.210 -0.573 7.135 1.00 25.00 O ATOM 969 CB ARG A 646 16.985 -2.224 7.560 1.00 25.00 C ATOM 970 CG ARG A 646 15.893 -3.203 8.027 1.00 25.00 C ATOM 971 CD ARG A 646 16.432 -4.330 8.905 1.00 25.00 C ATOM 972 NE ARG A 646 15.361 -5.243 9.324 1.00 25.00 N ATOM 973 CZ ARG A 646 14.507 -5.017 10.334 1.00 25.00 C ATOM 974 NH1 ARG A 646 14.574 -3.904 11.062 1.00 25.00 N ATOM 975 NH2 ARG A 646 13.578 -5.920 10.616 1.00 25.00 N ATOM 0 H ARG A 646 18.505 -0.411 6.866 1.00 25.00 H new ATOM 0 HA ARG A 646 16.110 -1.478 5.716 1.00 25.00 H new ATOM 0 HB2 ARG A 646 17.753 -2.792 7.035 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.457 -1.791 8.442 1.00 25.00 H new ATOM 0 HG2 ARG A 646 15.132 -2.652 8.580 1.00 25.00 H new ATOM 0 HG3 ARG A 646 15.403 -3.634 7.154 1.00 25.00 H new ATOM 0 HD2 ARG A 646 17.193 -4.887 8.358 1.00 25.00 H new ATOM 0 HD3 ARG A 646 16.917 -3.907 9.785 1.00 25.00 H new ATOM 0 HE ARG A 646 15.258 -6.116 8.807 1.00 25.00 H new ATOM 0 HH11 ARG A 646 15.285 -3.202 10.856 1.00 25.00 H new ATOM 0 HH12 ARG A 646 13.914 -3.753 11.825 1.00 25.00 H new ATOM 0 HH21 ARG A 646 13.517 -6.778 10.067 1.00 25.00 H new ATOM 0 HH22 ARG A 646 12.924 -5.757 11.382 1.00 25.00 H new ATOM 989 N ASP A 647 15.766 0.789 8.062 1.00 25.00 N ATOM 990 CA ASP A 647 14.795 1.630 8.778 1.00 25.00 C ATOM 991 C ASP A 647 14.149 2.673 7.859 1.00 25.00 C ATOM 992 O ASP A 647 13.049 3.151 8.144 1.00 25.00 O ATOM 993 CB ASP A 647 15.464 2.326 9.971 1.00 25.00 C ATOM 994 CG ASP A 647 15.785 1.371 11.107 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.266 0.235 11.094 1.00 25.00 O ATOM 996 OD2 ASP A 647 16.557 1.760 12.010 1.00 25.00 O ATOM 0 H ASP A 647 16.738 1.071 8.192 1.00 25.00 H new ATOM 0 HA ASP A 647 14.005 0.972 9.140 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.383 2.807 9.636 1.00 25.00 H new ATOM 0 HB3 ASP A 647 14.808 3.114 10.340 1.00 25.00 H new ATOM 1001 N GLU A 648 14.838 3.023 6.761 1.00 25.00 N ATOM 1002 CA GLU A 648 14.294 3.937 5.750 1.00 25.00 C ATOM 1003 C GLU A 648 13.462 3.151 4.727 1.00 25.00 C ATOM 1004 O GLU A 648 12.413 3.615 4.284 1.00 25.00 O ATOM 1005 CB GLU A 648 15.437 4.715 5.063 1.00 25.00 C ATOM 1006 CG GLU A 648 16.199 5.678 5.976 1.00 25.00 C ATOM 1007 CD GLU A 648 15.315 6.773 6.543 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.636 7.457 5.750 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.304 6.947 7.780 1.00 25.00 O ATOM 0 H GLU A 648 15.777 2.684 6.552 1.00 25.00 H new ATOM 0 HA GLU A 648 13.640 4.662 6.235 1.00 25.00 H new ATOM 0 HB2 GLU A 648 16.144 3.999 4.643 1.00 25.00 H new ATOM 0 HB3 GLU A 648 15.022 5.280 4.228 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.646 5.117 6.797 1.00 25.00 H new ATOM 0 HG3 GLU A 648 17.017 6.131 5.417 1.00 25.00 H new ATOM 1016 N TYR A 649 13.939 1.949 4.381 1.00 25.00 N ATOM 1017 CA TYR A 649 13.246 1.050 3.451 1.00 25.00 C ATOM 1018 C TYR A 649 11.833 0.693 3.963 1.00 25.00 C ATOM 1019 O TYR A 649 10.843 0.885 3.250 1.00 25.00 O ATOM 1020 CB TYR A 649 14.135 -0.206 3.229 1.00 25.00 C ATOM 1021 CG TYR A 649 13.446 -1.422 2.631 1.00 25.00 C ATOM 1022 CD1 TYR A 649 12.330 -1.259 1.824 1.00 25.00 C ATOM 1023 CD2 TYR A 649 13.905 -2.711 2.868 1.00 25.00 C ATOM 1024 CE1 TYR A 649 11.688 -2.339 1.266 1.00 25.00 C ATOM 1025 CE2 TYR A 649 13.266 -3.804 2.311 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.158 -3.612 1.510 1.00 25.00 C ATOM 1027 OH TYR A 649 11.520 -4.696 0.953 1.00 25.00 O ATOM 0 H TYR A 649 14.817 1.572 4.738 1.00 25.00 H new ATOM 0 HA TYR A 649 13.095 1.547 2.493 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.964 0.072 2.578 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.566 -0.494 4.188 1.00 25.00 H new ATOM 0 HD1 TYR A 649 11.958 -0.264 1.630 1.00 25.00 H new ATOM 0 HD2 TYR A 649 14.771 -2.862 3.495 1.00 25.00 H new ATOM 0 HE1 TYR A 649 10.820 -2.191 0.640 1.00 25.00 H new ATOM 0 HE2 TYR A 649 13.632 -4.802 2.502 1.00 25.00 H new ATOM 0 HH TYR A 649 11.381 -4.537 -0.004 1.00 25.00 H new ATOM 1037 N TYR A 650 11.762 0.174 5.197 1.00 25.00 N ATOM 1038 CA TYR A 650 10.494 -0.227 5.816 1.00 25.00 C ATOM 1039 C TYR A 650 9.601 0.961 6.233 1.00 25.00 C ATOM 1040 O TYR A 650 8.386 0.790 6.378 1.00 25.00 O ATOM 1041 CB TYR A 650 10.764 -1.117 7.039 1.00 25.00 C ATOM 1042 CG TYR A 650 11.356 -2.478 6.690 1.00 25.00 C ATOM 1043 CD1 TYR A 650 11.091 -3.087 5.463 1.00 25.00 C ATOM 1044 CD2 TYR A 650 12.183 -3.152 7.584 1.00 25.00 C ATOM 1045 CE1 TYR A 650 11.627 -4.314 5.143 1.00 25.00 C ATOM 1046 CE2 TYR A 650 12.723 -4.385 7.267 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.431 -4.970 6.059 1.00 25.00 C ATOM 1048 OH TYR A 650 12.977 -6.187 5.728 1.00 25.00 O ATOM 0 H TYR A 650 12.578 0.022 5.790 1.00 25.00 H new ATOM 0 HA TYR A 650 9.946 -0.778 5.051 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.445 -0.597 7.712 1.00 25.00 H new ATOM 0 HB3 TYR A 650 9.831 -1.265 7.582 1.00 25.00 H new ATOM 0 HD1 TYR A 650 10.453 -2.586 4.750 1.00 25.00 H new ATOM 0 HD2 TYR A 650 12.407 -2.705 8.541 1.00 25.00 H new ATOM 0 HE1 TYR A 650 11.421 -4.762 4.182 1.00 25.00 H new ATOM 0 HE2 TYR A 650 13.373 -4.887 7.968 1.00 25.00 H new ATOM 0 HH TYR A 650 13.517 -6.518 6.476 1.00 25.00 H new ATOM 1058 N HIS A 651 10.194 2.154 6.415 1.00 25.00 N ATOM 1059 CA HIS A 651 9.441 3.338 6.874 1.00 25.00 C ATOM 1060 C HIS A 651 8.693 4.018 5.719 1.00 25.00 C ATOM 1061 O HIS A 651 7.601 4.559 5.915 1.00 25.00 O ATOM 1062 CB HIS A 651 10.379 4.337 7.553 1.00 25.00 C ATOM 1063 CG HIS A 651 10.386 4.267 9.058 1.00 25.00 C ATOM 1064 ND1 HIS A 651 9.813 5.239 9.854 1.00 25.00 N ATOM 1065 CD2 HIS A 651 10.880 3.332 9.912 1.00 25.00 C ATOM 1066 CE1 HIS A 651 9.956 4.907 11.126 1.00 25.00 C ATOM 1067 NE2 HIS A 651 10.597 3.755 11.187 1.00 25.00 N ATOM 0 H HIS A 651 11.186 2.325 6.253 1.00 25.00 H new ATOM 0 HA HIS A 651 8.700 2.995 7.596 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.393 4.168 7.190 1.00 25.00 H new ATOM 0 HB3 HIS A 651 10.096 5.345 7.250 1.00 25.00 H new ATOM 0 HD2 HIS A 651 11.399 2.425 9.638 1.00 25.00 H new ATOM 0 HE1 HIS A 651 9.607 5.481 11.972 1.00 25.00 H new ATOM 0 HE2 HIS A 651 10.843 3.259 12.044 1.00 25.00 H new ATOM 1076 N LEU A 652 9.296 3.988 4.522 1.00 25.00 N ATOM 1077 CA LEU A 652 8.683 4.512 3.295 1.00 25.00 C ATOM 1078 C LEU A 652 7.390 3.770 2.927 1.00 25.00 C ATOM 1079 O LEU A 652 6.429 4.378 2.448 1.00 25.00 O ATOM 1080 CB LEU A 652 9.695 4.405 2.163 1.00 25.00 C ATOM 1081 CG LEU A 652 10.872 5.396 2.172 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.920 5.095 1.106 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.327 6.793 1.978 1.00 25.00 C ATOM 0 H LEU A 652 10.227 3.597 4.378 1.00 25.00 H new ATOM 0 HA LEU A 652 8.408 5.553 3.464 1.00 25.00 H new ATOM 0 HB2 LEU A 652 10.105 3.395 2.171 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.161 4.525 1.221 1.00 25.00 H new ATOM 0 HG LEU A 652 11.377 5.301 3.133 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.722 5.830 1.167 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.329 4.098 1.269 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.459 5.141 0.119 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.150 7.508 1.982 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.802 6.849 1.025 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.636 7.030 2.787 1.00 25.00 H new ATOM 1095 N LEU A 653 7.391 2.449 3.144 1.00 25.00 N ATOM 1096 CA LEU A 653 6.187 1.613 2.977 1.00 25.00 C ATOM 1097 C LEU A 653 5.180 1.803 4.125 1.00 25.00 C ATOM 1098 O LEU A 653 3.971 1.669 3.919 1.00 25.00 O ATOM 1099 CB LEU A 653 6.568 0.127 2.883 1.00 25.00 C ATOM 1100 CG LEU A 653 7.339 -0.297 1.624 1.00 25.00 C ATOM 1101 CD1 LEU A 653 7.984 -1.648 1.841 1.00 25.00 C ATOM 1102 CD2 LEU A 653 6.428 -0.375 0.406 1.00 25.00 C ATOM 0 H LEU A 653 8.218 1.929 3.438 1.00 25.00 H new ATOM 0 HA LEU A 653 5.711 1.934 2.050 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.170 -0.128 3.755 1.00 25.00 H new ATOM 0 HB3 LEU A 653 5.655 -0.465 2.941 1.00 25.00 H new ATOM 0 HG LEU A 653 8.102 0.459 1.439 1.00 25.00 H new ATOM 0 HD11 LEU A 653 8.528 -1.940 0.943 1.00 25.00 H new ATOM 0 HD12 LEU A 653 8.676 -1.590 2.682 1.00 25.00 H new ATOM 0 HD13 LEU A 653 7.214 -2.389 2.055 1.00 25.00 H new ATOM 0 HD21 LEU A 653 7.010 -0.678 -0.465 1.00 25.00 H new ATOM 0 HD22 LEU A 653 5.639 -1.105 0.588 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.982 0.602 0.222 1.00 25.00 H new ATOM 1114 N ALA A 654 5.689 2.118 5.328 1.00 25.00 N ATOM 1115 CA ALA A 654 4.847 2.304 6.521 1.00 25.00 C ATOM 1116 C ALA A 654 4.156 3.671 6.535 1.00 25.00 C ATOM 1117 O ALA A 654 3.084 3.819 7.131 1.00 25.00 O ATOM 1118 CB ALA A 654 5.678 2.132 7.784 1.00 25.00 C ATOM 0 H ALA A 654 6.686 2.250 5.500 1.00 25.00 H new ATOM 0 HA ALA A 654 4.068 1.542 6.487 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.043 2.272 8.659 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.107 1.130 7.804 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.480 2.870 7.795 1.00 25.00 H new ATOM 1124 N GLU A 655 4.773 4.665 5.875 1.00 25.00 N ATOM 1125 CA GLU A 655 4.210 6.024 5.812 1.00 25.00 C ATOM 1126 C GLU A 655 3.037 6.122 4.825 1.00 25.00 C ATOM 1127 O GLU A 655 2.124 6.919 5.041 1.00 25.00 O ATOM 1128 CB GLU A 655 5.299 7.073 5.498 1.00 25.00 C ATOM 1129 CG GLU A 655 6.206 7.441 6.670 1.00 25.00 C ATOM 1130 CD GLU A 655 7.296 8.420 6.282 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.354 8.804 5.094 1.00 25.00 O ATOM 1132 OE2 GLU A 655 8.092 8.805 7.164 1.00 25.00 O ATOM 0 H GLU A 655 5.658 4.554 5.380 1.00 25.00 H new ATOM 0 HA GLU A 655 3.811 6.246 6.802 1.00 25.00 H new ATOM 0 HB2 GLU A 655 5.919 6.697 4.684 1.00 25.00 H new ATOM 0 HB3 GLU A 655 4.814 7.980 5.136 1.00 25.00 H new ATOM 0 HG2 GLU A 655 5.603 7.873 7.469 1.00 25.00 H new ATOM 0 HG3 GLU A 655 6.662 6.535 7.069 1.00 25.00 H new ATOM 1139 N LYS A 656 3.059 5.305 3.752 1.00 25.00 N ATOM 1140 CA LYS A 656 1.897 5.191 2.846 1.00 25.00 C ATOM 1141 C LYS A 656 0.760 4.471 3.570 1.00 25.00 C ATOM 1142 O LYS A 656 -0.415 4.719 3.312 1.00 25.00 O ATOM 1143 CB LYS A 656 2.218 4.410 1.553 1.00 25.00 C ATOM 1144 CG LYS A 656 3.145 5.109 0.550 1.00 25.00 C ATOM 1145 CD LYS A 656 3.406 4.259 -0.690 1.00 25.00 C ATOM 1146 CE LYS A 656 4.326 4.969 -1.672 1.00 25.00 C ATOM 1147 NZ LYS A 656 3.611 5.363 -2.916 1.00 25.00 N ATOM 0 H LYS A 656 3.856 4.723 3.494 1.00 25.00 H new ATOM 0 HA LYS A 656 1.615 6.206 2.565 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.670 3.458 1.831 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.279 4.181 1.049 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.701 6.058 0.250 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.093 5.340 1.035 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.852 3.310 -0.394 1.00 25.00 H new ATOM 0 HD3 LYS A 656 2.460 4.028 -1.179 1.00 25.00 H new ATOM 0 HE2 LYS A 656 4.747 5.856 -1.199 1.00 25.00 H new ATOM 0 HE3 LYS A 656 5.161 4.316 -1.925 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 4.292 5.443 -3.698 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 2.899 4.642 -3.150 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 3.141 6.280 -2.771 1.00 25.00 H new ATOM 1161 N ILE A 657 1.151 3.602 4.516 1.00 25.00 N ATOM 1162 CA ILE A 657 0.217 2.807 5.315 1.00 25.00 C ATOM 1163 C ILE A 657 -0.601 3.714 6.262 1.00 25.00 C ATOM 1164 O ILE A 657 -1.759 3.421 6.559 1.00 25.00 O ATOM 1165 CB ILE A 657 1.010 1.676 6.081 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.067 0.402 5.191 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.447 1.368 7.481 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.903 -0.757 5.736 1.00 25.00 C ATOM 0 H ILE A 657 2.130 3.434 4.746 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.506 2.317 4.662 1.00 25.00 H new ATOM 0 HB ILE A 657 2.020 2.044 6.261 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.049 0.047 5.033 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.462 0.682 4.215 1.00 25.00 H new ATOM 0 HG21 ILE A 657 1.041 0.582 7.947 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.488 2.267 8.096 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.588 1.036 7.392 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.871 -1.590 5.034 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.935 -0.432 5.866 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.500 -1.076 6.697 1.00 25.00 H new ATOM 1180 N TYR A 658 0.020 4.809 6.717 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.637 5.763 7.613 1.00 25.00 C ATOM 1182 C TYR A 658 -1.453 6.805 6.826 1.00 25.00 C ATOM 1183 O TYR A 658 -2.510 7.245 7.287 1.00 25.00 O ATOM 1184 CB TYR A 658 0.413 6.456 8.494 1.00 25.00 C ATOM 1185 CG TYR A 658 1.164 5.523 9.433 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.537 5.338 9.309 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.498 4.830 10.440 1.00 25.00 C ATOM 1188 CE1 TYR A 658 3.224 4.492 10.160 1.00 25.00 C ATOM 1189 CE2 TYR A 658 1.180 3.983 11.293 1.00 25.00 C ATOM 1190 CZ TYR A 658 2.541 3.817 11.149 1.00 25.00 C ATOM 1191 OH TYR A 658 3.223 2.974 11.998 1.00 25.00 O ATOM 0 H TYR A 658 0.980 5.055 6.477 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.332 5.213 8.247 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.134 6.960 7.850 1.00 25.00 H new ATOM 0 HB3 TYR A 658 -0.080 7.227 9.086 1.00 25.00 H new ATOM 0 HD1 TYR A 658 3.076 5.864 8.535 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.568 4.956 10.557 1.00 25.00 H new ATOM 0 HE1 TYR A 658 4.290 4.361 10.050 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.649 3.453 12.070 1.00 25.00 H new ATOM 0 HH TYR A 658 2.596 2.577 12.638 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.953 7.186 5.635 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.596 8.217 4.789 1.00 25.00 C ATOM 1203 C LYS A 659 -2.893 7.721 4.149 1.00 25.00 C ATOM 1204 O LYS A 659 -3.833 8.496 3.959 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.646 8.704 3.683 1.00 25.00 C ATOM 1206 CG LYS A 659 0.451 9.661 4.144 1.00 25.00 C ATOM 1207 CD LYS A 659 1.393 10.065 3.007 1.00 25.00 C ATOM 1208 CE LYS A 659 2.479 11.016 3.478 1.00 25.00 C ATOM 1209 NZ LYS A 659 3.419 11.394 2.383 1.00 25.00 N ATOM 0 H LYS A 659 -0.101 6.794 5.233 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.836 9.045 5.456 1.00 25.00 H new ATOM 0 HB2 LYS A 659 -0.178 7.836 3.220 1.00 25.00 H new ATOM 0 HB3 LYS A 659 -1.236 9.198 2.911 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -0.006 10.555 4.568 1.00 25.00 H new ATOM 0 HG3 LYS A 659 1.028 9.190 4.940 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.852 9.172 2.582 1.00 25.00 H new ATOM 0 HD3 LYS A 659 0.818 10.537 2.211 1.00 25.00 H new ATOM 0 HE2 LYS A 659 2.018 11.916 3.884 1.00 25.00 H new ATOM 0 HE3 LYS A 659 3.039 10.550 4.289 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 4.141 12.044 2.754 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 3.880 10.539 2.011 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 2.892 11.863 1.619 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.929 6.424 3.820 1.00 25.00 N ATOM 1224 CA ILE A 660 -4.131 5.790 3.255 1.00 25.00 C ATOM 1225 C ILE A 660 -5.191 5.597 4.361 1.00 25.00 C ATOM 1226 O ILE A 660 -6.394 5.591 4.095 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.790 4.432 2.564 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.902 4.678 1.325 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -5.073 3.698 2.163 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.285 3.425 0.712 1.00 25.00 C ATOM 0 H ILE A 660 -2.138 5.790 3.935 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.538 6.448 2.487 1.00 25.00 H new ATOM 0 HB ILE A 660 -3.243 3.807 3.270 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.499 5.180 0.564 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -2.099 5.361 1.602 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.817 2.754 1.683 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.673 3.502 3.052 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.643 4.315 1.469 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.680 3.702 -0.151 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.656 2.930 1.452 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -3.077 2.746 0.397 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.708 5.440 5.595 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.555 5.425 6.795 1.00 25.00 C ATOM 1244 C GLN A 661 -6.136 6.817 7.106 1.00 25.00 C ATOM 1245 O GLN A 661 -7.132 6.933 7.827 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.744 4.910 7.991 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.453 3.403 7.959 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.504 2.897 9.050 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -3.001 3.689 9.848 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.264 1.588 9.113 1.00 25.00 N ATOM 0 H GLN A 661 -3.715 5.319 5.794 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.395 4.757 6.605 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.798 5.449 8.032 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.284 5.144 8.908 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.397 2.865 8.044 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.029 3.152 6.987 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.696 0.957 8.437 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.649 1.217 9.837 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.501 7.864 6.550 1.00 25.00 N ATOM 1260 CA LYS A 662 -5.949 9.257 6.722 1.00 25.00 C ATOM 1261 C LYS A 662 -7.099 9.619 5.772 1.00 25.00 C ATOM 1262 O LYS A 662 -8.014 10.353 6.154 1.00 25.00 O ATOM 1263 CB LYS A 662 -4.790 10.240 6.490 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.106 11.732 6.720 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.115 12.697 6.058 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.275 12.745 4.556 1.00 25.00 C ATOM 1267 NZ LYS A 662 -3.325 13.696 3.914 1.00 25.00 N ATOM 0 H LYS A 662 -4.666 7.769 5.971 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.306 9.338 7.748 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -3.966 9.959 7.146 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.437 10.118 5.466 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.107 11.942 6.342 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.123 11.926 7.792 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -4.257 13.697 6.468 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.097 12.393 6.303 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.120 11.748 4.145 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -5.297 13.035 4.311 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -3.474 13.693 2.885 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -3.489 14.654 4.285 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -2.349 13.406 4.124 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.036 9.106 4.533 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.029 9.405 3.492 1.00 25.00 C ATOM 1283 C GLU A 663 -9.394 8.755 3.784 1.00 25.00 C ATOM 1284 O GLU A 663 -10.440 9.373 3.569 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.470 8.982 2.119 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.324 9.831 1.575 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.707 11.284 1.375 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -7.731 11.544 0.707 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.987 12.162 1.892 1.00 25.00 O ATOM 0 H GLU A 663 -6.297 8.474 4.226 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.210 10.480 3.483 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.129 7.949 2.190 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.285 9.000 1.395 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.480 9.775 2.262 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -5.990 9.415 0.625 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.360 7.502 4.263 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.566 6.800 4.750 1.00 25.00 C ATOM 1298 C LEU A 664 -11.190 7.493 5.976 1.00 25.00 C ATOM 1299 O LEU A 664 -12.375 7.303 6.263 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.251 5.328 5.117 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.915 4.336 3.970 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.406 3.000 4.506 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -11.104 4.115 3.046 1.00 25.00 C ATOM 0 H LEU A 664 -8.506 6.948 4.325 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.283 6.829 3.929 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.410 5.331 5.810 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -11.109 4.930 5.659 1.00 25.00 H new ATOM 0 HG LEU A 664 -9.115 4.795 3.389 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -9.182 2.335 3.672 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.502 3.164 5.092 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -10.170 2.546 5.137 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.827 3.415 2.258 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.938 3.707 3.617 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -11.400 5.065 2.600 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.378 8.296 6.687 1.00 25.00 N ATOM 1316 CA GLU A 665 -10.834 9.054 7.863 1.00 25.00 C ATOM 1317 C GLU A 665 -11.740 10.233 7.447 1.00 25.00 C ATOM 1318 O GLU A 665 -12.469 10.784 8.277 1.00 25.00 O ATOM 1319 CB GLU A 665 -9.614 9.542 8.666 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.022 8.511 9.624 1.00 25.00 C ATOM 1321 CD GLU A 665 -9.679 8.538 10.990 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -9.803 9.639 11.567 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -10.069 7.459 11.484 1.00 25.00 O ATOM 0 H GLU A 665 -9.393 8.436 6.463 1.00 25.00 H new ATOM 0 HA GLU A 665 -11.431 8.399 8.497 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -8.838 9.855 7.967 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -9.902 10.424 9.237 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -9.130 7.516 9.193 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -7.954 8.696 9.735 1.00 25.00 H new ATOM 1694 N SER B 536 -8.591 8.312 -5.142 1.00 25.00 N ATOM 1695 CA SER B 536 -9.863 8.308 -5.872 1.00 25.00 C ATOM 1696 C SER B 536 -10.275 6.878 -6.236 1.00 25.00 C ATOM 1697 O SER B 536 -11.465 6.577 -6.371 1.00 25.00 O ATOM 1698 CB SER B 536 -9.740 9.166 -7.137 1.00 25.00 C ATOM 1699 OG SER B 536 -8.682 8.717 -7.971 1.00 25.00 O ATOM 0 HA SER B 536 -10.635 8.730 -5.229 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.678 9.136 -7.691 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.568 10.205 -6.857 1.00 25.00 H new ATOM 0 HG SER B 536 -8.008 8.260 -7.426 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.266 6.013 -6.386 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.472 4.596 -6.701 1.00 25.00 C ATOM 1707 C ILE B 537 -9.685 3.773 -5.418 1.00 25.00 C ATOM 1708 O ILE B 537 -10.426 2.786 -5.432 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.264 4.020 -7.533 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -8.157 4.685 -8.940 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.315 2.486 -7.668 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.871 4.412 -9.724 1.00 25.00 C ATOM 0 H ILE B 537 -8.285 6.276 -6.292 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.372 4.518 -7.311 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.367 4.270 -6.967 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -9.002 4.350 -9.542 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -8.260 5.763 -8.817 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.460 2.143 -8.250 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.285 2.032 -6.677 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.237 2.196 -8.172 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.914 4.927 -10.684 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -6.015 4.775 -9.156 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.768 3.340 -9.891 1.00 25.00 H new ATOM 1724 N ALA B 538 -9.038 4.188 -4.319 1.00 25.00 N ATOM 1725 CA ALA B 538 -9.111 3.451 -3.054 1.00 25.00 C ATOM 1726 C ALA B 538 -10.370 3.775 -2.249 1.00 25.00 C ATOM 1727 O ALA B 538 -10.697 3.085 -1.278 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.858 3.690 -2.223 1.00 25.00 C ATOM 0 H ALA B 538 -8.460 5.028 -4.283 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.171 2.393 -3.308 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.930 3.135 -1.288 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.983 3.352 -2.779 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.762 4.754 -2.007 1.00 25.00 H new ATOM 1734 N ASP B 539 -11.063 4.822 -2.674 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.351 5.206 -2.090 1.00 25.00 C ATOM 1736 C ASP B 539 -13.491 4.750 -3.015 1.00 25.00 C ATOM 1737 O ASP B 539 -14.672 4.829 -2.662 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.388 6.728 -1.844 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.469 7.185 -0.719 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.063 6.333 0.095 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.159 8.395 -0.659 1.00 25.00 O ATOM 0 H ASP B 539 -10.754 5.431 -3.431 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.481 4.715 -1.126 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -12.108 7.243 -2.763 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.410 7.025 -1.611 1.00 25.00 H new ATOM 1746 N MET B 540 -13.100 4.264 -4.197 1.00 25.00 N ATOM 1747 CA MET B 540 -14.018 3.677 -5.169 1.00 25.00 C ATOM 1748 C MET B 540 -14.050 2.153 -5.001 1.00 25.00 C ATOM 1749 O MET B 540 -15.080 1.511 -5.230 1.00 25.00 O ATOM 1750 CB MET B 540 -13.547 4.039 -6.582 1.00 25.00 C ATOM 1751 CG MET B 540 -14.443 3.516 -7.707 1.00 25.00 C ATOM 1752 SD MET B 540 -13.708 3.687 -9.352 1.00 25.00 S ATOM 1753 CE MET B 540 -13.930 5.435 -9.687 1.00 25.00 C ATOM 0 H MET B 540 -12.128 4.269 -4.506 1.00 25.00 H new ATOM 0 HA MET B 540 -15.023 4.067 -5.008 1.00 25.00 H new ATOM 0 HB2 MET B 540 -13.482 5.124 -6.662 1.00 25.00 H new ATOM 0 HB3 MET B 540 -12.540 3.648 -6.726 1.00 25.00 H new ATOM 0 HG2 MET B 540 -14.666 2.465 -7.525 1.00 25.00 H new ATOM 0 HG3 MET B 540 -15.392 4.052 -7.684 1.00 25.00 H new ATOM 0 HE1 MET B 540 -13.521 5.672 -10.669 1.00 25.00 H new ATOM 0 HE2 MET B 540 -14.993 5.677 -9.669 1.00 25.00 H new ATOM 0 HE3 MET B 540 -13.412 6.020 -8.927 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.902 1.599 -4.593 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.734 0.156 -4.420 1.00 25.00 C ATOM 1765 C ASP B 541 -13.135 -0.304 -3.007 1.00 25.00 C ATOM 1766 O ASP B 541 -13.415 -1.489 -2.802 1.00 25.00 O ATOM 1767 CB ASP B 541 -11.280 -0.233 -4.725 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.943 -0.186 -6.207 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.881 -0.176 -7.030 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.740 -0.151 -6.541 1.00 25.00 O ATOM 0 H ASP B 541 -12.066 2.140 -4.374 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.399 -0.349 -5.120 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.611 0.438 -4.186 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -11.094 -1.239 -4.349 1.00 25.00 H new ATOM 1775 N PHE B 542 -13.174 0.634 -2.040 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.545 0.309 -0.652 1.00 25.00 C ATOM 1777 C PHE B 542 -15.051 0.000 -0.538 1.00 25.00 C ATOM 1778 O PHE B 542 -15.472 -0.732 0.361 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.166 1.472 0.279 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.354 1.195 1.752 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.486 0.352 2.433 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.402 1.774 2.451 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.664 0.092 3.778 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.583 1.518 3.798 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.713 0.677 4.462 1.00 25.00 C ATOM 0 H PHE B 542 -12.954 1.618 -2.195 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.996 -0.583 -0.350 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -12.122 1.733 0.104 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.762 2.343 0.009 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.662 -0.106 1.905 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.086 2.433 1.937 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.984 -0.568 4.295 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.404 1.976 4.330 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.852 0.476 5.514 1.00 25.00 H new ATOM 1795 N SER B 543 -15.843 0.569 -1.461 1.00 25.00 N ATOM 1796 CA SER B 543 -17.292 0.339 -1.515 1.00 25.00 C ATOM 1797 C SER B 543 -17.629 -0.976 -2.235 1.00 25.00 C ATOM 1798 O SER B 543 -18.672 -1.583 -1.974 1.00 25.00 O ATOM 1799 CB SER B 543 -17.981 1.515 -2.216 1.00 25.00 C ATOM 1800 OG SER B 543 -17.591 1.610 -3.577 1.00 25.00 O ATOM 0 H SER B 543 -15.497 1.198 -2.186 1.00 25.00 H new ATOM 0 HA SER B 543 -17.658 0.261 -0.491 1.00 25.00 H new ATOM 0 HB2 SER B 543 -19.062 1.394 -2.154 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.734 2.443 -1.700 1.00 25.00 H new ATOM 0 HG SER B 543 -18.049 2.368 -3.996 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.733 -1.406 -3.138 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.912 -2.645 -3.903 1.00 25.00 C ATOM 1808 C ALA B 544 -16.431 -3.874 -3.119 1.00 25.00 C ATOM 1809 O ALA B 544 -16.869 -4.997 -3.387 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.175 -2.548 -5.232 1.00 25.00 C ATOM 0 H ALA B 544 -15.871 -0.907 -3.355 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.979 -2.770 -4.088 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.313 -3.472 -5.793 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.571 -1.711 -5.807 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -15.112 -2.391 -5.048 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.534 -3.642 -2.150 1.00 25.00 N ATOM 1817 CA LEU B 545 -14.981 -4.704 -1.308 1.00 25.00 C ATOM 1818 C LEU B 545 -15.936 -5.105 -0.172 1.00 25.00 C ATOM 1819 O LEU B 545 -15.765 -6.165 0.439 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.635 -4.251 -0.736 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.505 -4.063 -1.764 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.339 -3.297 -1.158 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.008 -5.409 -2.289 1.00 25.00 C ATOM 0 H LEU B 545 -15.174 -2.713 -1.931 1.00 25.00 H new ATOM 0 HA LEU B 545 -14.842 -5.587 -1.932 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.783 -3.308 -0.209 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.310 -4.982 0.004 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.916 -3.489 -2.594 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.554 -3.178 -1.905 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.680 -2.315 -0.830 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -10.946 -3.848 -0.304 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.210 -5.245 -3.013 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.628 -6.005 -1.459 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -12.831 -5.938 -2.769 1.00 25.00 H new ATOM 1835 N LEU B 546 -16.941 -4.255 0.102 1.00 25.00 N ATOM 1836 CA LEU B 546 -17.976 -4.558 1.107 1.00 25.00 C ATOM 1837 C LEU B 546 -19.051 -5.473 0.515 1.00 25.00 C ATOM 1838 O LEU B 546 -19.718 -6.219 1.235 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.636 -3.264 1.625 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.733 -2.304 2.409 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.495 -1.035 2.762 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.210 -2.961 3.678 1.00 25.00 C ATOM 0 H LEU B 546 -17.059 -3.352 -0.358 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.489 -5.066 1.940 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -19.048 -2.725 0.772 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.476 -3.540 2.263 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.883 -2.049 1.777 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.843 -0.362 3.318 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.828 -0.544 1.847 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.361 -1.289 3.373 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.572 -2.259 4.215 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.049 -3.247 4.312 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.633 -3.848 3.417 1.00 25.00 H new ATOM 1854 N SER B 547 -19.200 -5.389 -0.811 1.00 25.00 N ATOM 1855 CA SER B 547 -20.138 -6.227 -1.573 1.00 25.00 C ATOM 1856 C SER B 547 -19.619 -7.664 -1.749 1.00 25.00 C ATOM 1857 O SER B 547 -20.386 -8.567 -2.097 1.00 25.00 O ATOM 1858 CB SER B 547 -20.406 -5.600 -2.945 1.00 25.00 C ATOM 1859 OG SER B 547 -19.280 -5.734 -3.796 1.00 25.00 O ATOM 0 H SER B 547 -18.672 -4.736 -1.390 1.00 25.00 H new ATOM 0 HA SER B 547 -21.066 -6.279 -1.003 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.271 -6.078 -3.404 1.00 25.00 H new ATOM 0 HB3 SER B 547 -20.651 -4.545 -2.824 1.00 25.00 H new ATOM 0 HG SER B 547 -18.547 -5.178 -3.459 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.312 -7.864 -1.501 1.00 25.00 N ATOM 1866 CA GLN B 548 -17.648 -9.167 -1.698 1.00 25.00 C ATOM 1867 C GLN B 548 -18.078 -10.224 -0.669 1.00 25.00 C ATOM 1868 O GLN B 548 -17.803 -11.417 -0.845 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.122 -9.002 -1.662 1.00 25.00 C ATOM 1870 CG GLN B 548 -15.521 -8.351 -2.908 1.00 25.00 C ATOM 1871 CD GLN B 548 -14.005 -8.206 -2.850 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -13.438 -7.930 -1.793 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -13.347 -8.391 -3.989 1.00 25.00 N ATOM 0 H GLN B 548 -17.689 -7.132 -1.160 1.00 25.00 H new ATOM 0 HA GLN B 548 -17.961 -9.526 -2.678 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -15.855 -8.403 -0.791 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -15.667 -9.983 -1.526 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -15.788 -8.945 -3.782 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.967 -7.366 -3.044 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -13.858 -8.618 -4.842 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -12.331 -8.306 -4.011 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.754 -9.778 0.390 1.00 25.00 N ATOM 1883 CA ILE B 549 -19.217 -10.675 1.462 1.00 25.00 C ATOM 1884 C ILE B 549 -20.730 -10.942 1.389 1.00 25.00 C ATOM 1885 O ILE B 549 -21.222 -11.906 1.984 1.00 25.00 O ATOM 1886 CB ILE B 549 -18.827 -10.157 2.890 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -19.349 -8.730 3.183 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -17.317 -10.206 3.077 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -19.174 -8.279 4.621 1.00 25.00 C ATOM 0 H ILE B 549 -18.996 -8.798 0.533 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.699 -11.619 1.296 1.00 25.00 H new ATOM 0 HB ILE B 549 -19.311 -10.824 3.603 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -18.833 -8.027 2.530 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -20.408 -8.684 2.927 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -17.062 -9.843 4.073 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -16.970 -11.233 2.965 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -16.837 -9.577 2.328 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -19.567 -7.269 4.736 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -19.714 -8.956 5.283 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -18.115 -8.288 4.879 1.00 25.00 H new ATOM 1901 N SER B 550 -21.455 -10.085 0.655 1.00 25.00 N ATOM 1902 CA SER B 550 -22.908 -10.217 0.504 1.00 25.00 C ATOM 1903 C SER B 550 -23.271 -10.901 -0.821 1.00 25.00 C ATOM 1904 O SER B 550 -24.181 -11.734 -0.864 1.00 25.00 O ATOM 1905 CB SER B 550 -23.579 -8.837 0.592 1.00 25.00 C ATOM 1906 OG SER B 550 -23.095 -7.960 -0.413 1.00 25.00 O ATOM 0 H SER B 550 -21.055 -9.291 0.156 1.00 25.00 H new ATOM 0 HA SER B 550 -23.275 -10.844 1.317 1.00 25.00 H new ATOM 0 HB2 SER B 550 -24.658 -8.949 0.490 1.00 25.00 H new ATOM 0 HB3 SER B 550 -23.395 -8.403 1.575 1.00 25.00 H new ATOM 0 HG SER B 550 -23.542 -7.091 -0.332 1.00 25.00 H new ATOM 1912 N SER B 551 -22.552 -10.541 -1.895 1.00 25.00 N ATOM 1913 CA SER B 551 -22.791 -11.111 -3.224 1.00 25.00 C ATOM 1914 C SER B 551 -21.592 -11.946 -3.684 1.00 25.00 C ATOM 1915 O SER B 551 -20.568 -11.356 -4.096 1.00 25.00 O ATOM 1916 CB SER B 551 -23.095 -10.000 -4.239 1.00 25.00 C ATOM 1917 OG SER B 551 -23.290 -10.533 -5.538 1.00 25.00 O ATOM 1918 OXT SER B 551 -21.688 -13.190 -3.628 1.00 25.00 O ATOM 0 H SER B 551 -21.798 -9.855 -1.866 1.00 25.00 H new ATOM 0 HA SER B 551 -23.658 -11.769 -3.161 1.00 25.00 H new ATOM 0 HB2 SER B 551 -23.986 -9.454 -3.929 1.00 25.00 H new ATOM 0 HB3 SER B 551 -22.273 -9.284 -4.256 1.00 25.00 H new ATOM 0 HG SER B 551 -23.483 -9.805 -6.165 1.00 25.00 H new