USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 616 SER OG : rot -78:sc= 0.555 USER MOD Set 1.2: A 659 MET CE :methyl -127:sc= -0.0196 (180deg=-0.282) USER MOD Set 2.1: A 643 SER OG : rot 160:sc= 0.452 USER MOD Set 2.2: A 646 LYS NZ :NH3+ -128:sc= 0.498 (180deg=0) USER MOD Set 3.1: A 629 SER OG : rot -1:sc= 0.459 USER MOD Set 3.2: A 679 GLN : amide:sc= -0.795 X(o=-0.34,f=-0.087) USER MOD Set 4.1: A 620 ASN : amide:sc= 0.248 K(o=2.4,f=-2) USER MOD Set 4.2: A 623 LYS NZ :NH3+ -157:sc= 2.13 (180deg=0.74) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 156:sc= -0.0055 (180deg=-0.0194) USER MOD Single : A 609 GLN : amide:sc= 0.203 X(o=0.2,f=-0.055) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.388 K(o=0.39,f=-0.46) USER MOD Single : A 618 LYS NZ :NH3+ -141:sc= 1.49 (180deg=0.345) USER MOD Single : A 624 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.64) USER MOD Single : A 633 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.28) USER MOD Single : A 634 TYR OH : rot 95:sc= 0.00778 USER MOD Single : A 638 TYR OH : rot 20:sc= 1.23 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -73:sc= 1.07 USER MOD Single : A 657 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.095) USER MOD Single : A 661 LYS NZ :NH3+ 171:sc= 1.15 (180deg=0.986) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= 0.425 K(o=0.43,f=-3.5!) USER MOD Single : A 669 TYR OH : rot 57:sc= 0.445 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.651 K(o=-0.65,f=-11!) USER MOD Single : A 678 GLN : amide:sc= -0.0142 K(o=-0.014,f=-2.6!) USER MOD Single : A 681 LYS NZ :NH3+ 164:sc= 0.633 (180deg=0.355) USER MOD Single : A 682 SER OG : rot 80:sc= 1.02 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 691 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 692 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.138 -3.246 -3.809 1.00 25.00 N ATOM 52 CA VAL A 598 -0.606 -2.762 -4.977 1.00 25.00 C ATOM 53 C VAL A 598 0.277 -2.666 -6.227 1.00 25.00 C ATOM 54 O VAL A 598 1.382 -2.136 -6.191 1.00 25.00 O ATOM 55 CB VAL A 598 -1.313 -1.392 -4.656 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.564 -0.607 -3.573 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.489 -0.533 -5.915 1.00 25.00 C ATOM 0 HA VAL A 598 -1.379 -3.497 -5.202 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.304 -1.635 -4.273 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -1.083 0.332 -3.380 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.527 -1.196 -2.657 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.451 -0.398 -3.911 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.980 0.403 -5.651 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.512 -0.320 -6.350 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -2.099 -1.071 -6.640 1.00 25.00 H new ATOM 67 N ARG A 599 -0.238 -3.204 -7.329 1.00 25.00 N ATOM 68 CA ARG A 599 0.460 -3.199 -8.620 1.00 25.00 C ATOM 69 C ARG A 599 0.401 -1.841 -9.330 1.00 25.00 C ATOM 70 O ARG A 599 -0.418 -0.976 -8.995 1.00 25.00 O ATOM 71 CB ARG A 599 -0.171 -4.257 -9.548 1.00 25.00 C ATOM 72 CG ARG A 599 -1.628 -3.940 -9.969 1.00 25.00 C ATOM 73 CD ARG A 599 -2.114 -4.839 -11.105 1.00 25.00 C ATOM 74 NE ARG A 599 -2.527 -6.171 -10.624 1.00 25.00 N ATOM 75 CZ ARG A 599 -3.782 -6.613 -10.550 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.816 -5.901 -10.925 1.00 25.00 N ATOM 77 NH2 ARG A 599 -4.000 -7.811 -10.085 1.00 25.00 N ATOM 0 H ARG A 599 -1.151 -3.657 -7.357 1.00 25.00 H new ATOM 0 HA ARG A 599 1.506 -3.421 -8.410 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.443 -4.351 -10.444 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.152 -5.224 -9.045 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.286 -4.059 -9.108 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.695 -2.897 -10.280 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -2.953 -4.361 -11.611 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.319 -4.951 -11.843 1.00 25.00 H new ATOM 0 HE ARG A 599 -1.789 -6.808 -10.322 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -4.680 -4.960 -11.295 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -5.757 -6.288 -10.847 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -3.217 -8.392 -9.786 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -4.954 -8.167 -10.020 1.00 25.00 H new ATOM 91 N GLU A 600 1.251 -1.686 -10.334 1.00 25.00 N ATOM 92 CA GLU A 600 1.217 -0.517 -11.211 1.00 25.00 C ATOM 93 C GLU A 600 -0.027 -0.658 -12.101 1.00 25.00 C ATOM 94 O GLU A 600 -0.545 -1.770 -12.277 1.00 25.00 O ATOM 95 CB GLU A 600 2.481 -0.468 -12.076 1.00 25.00 C ATOM 96 CG GLU A 600 3.704 0.024 -11.326 1.00 25.00 C ATOM 97 CD GLU A 600 4.892 0.252 -12.253 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.346 1.415 -12.378 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.376 -0.736 -12.847 1.00 25.00 O ATOM 0 H GLU A 600 1.981 -2.360 -10.566 1.00 25.00 H new ATOM 0 HA GLU A 600 1.176 0.403 -10.629 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.682 -1.464 -12.470 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.302 0.183 -12.932 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.463 0.954 -10.811 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.976 -0.703 -10.561 1.00 25.00 H new ATOM 106 N PRO A 601 -0.539 0.454 -12.656 1.00 25.00 N ATOM 107 CA PRO A 601 -1.765 0.309 -13.449 1.00 25.00 C ATOM 108 C PRO A 601 -1.608 -0.335 -14.829 1.00 25.00 C ATOM 109 O PRO A 601 -0.520 -0.432 -15.394 1.00 25.00 O ATOM 110 CB PRO A 601 -2.269 1.745 -13.560 1.00 25.00 C ATOM 111 CG PRO A 601 -1.062 2.591 -13.452 1.00 25.00 C ATOM 112 CD PRO A 601 -0.084 1.857 -12.592 1.00 25.00 C ATOM 0 HA PRO A 601 -2.448 -0.387 -12.962 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.781 1.910 -14.508 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.982 1.974 -12.768 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.638 2.785 -14.437 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.308 3.559 -13.015 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.935 1.964 -12.964 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.091 2.233 -11.569 1.00 25.00 H new ATOM 120 N SER A 602 -2.736 -0.778 -15.358 1.00 25.00 N ATOM 121 CA SER A 602 -2.812 -1.421 -16.662 1.00 25.00 C ATOM 122 C SER A 602 -2.789 -0.346 -17.736 1.00 25.00 C ATOM 123 O SER A 602 -3.150 0.800 -17.472 1.00 25.00 O ATOM 124 CB SER A 602 -4.101 -2.239 -16.777 1.00 25.00 C ATOM 125 OG SER A 602 -4.128 -2.981 -17.985 1.00 25.00 O ATOM 0 H SER A 602 -3.638 -0.701 -14.888 1.00 25.00 H new ATOM 0 HA SER A 602 -1.964 -2.094 -16.787 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.182 -2.918 -15.928 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.963 -1.573 -16.736 1.00 25.00 H new ATOM 0 HG SER A 602 -4.960 -3.496 -18.034 1.00 25.00 H new ATOM 131 N ALA A 603 -2.354 -0.712 -18.936 1.00 25.00 N ATOM 132 CA ALA A 603 -2.280 0.228 -20.052 1.00 25.00 C ATOM 133 C ALA A 603 -3.639 0.932 -20.235 1.00 25.00 C ATOM 134 O ALA A 603 -4.699 0.329 -19.997 1.00 25.00 O ATOM 135 CB ALA A 603 -1.877 -0.518 -21.337 1.00 25.00 C ATOM 0 H ALA A 603 -2.045 -1.657 -19.163 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.525 0.984 -19.838 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.823 0.188 -22.166 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.903 -0.986 -21.196 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.619 -1.285 -21.561 1.00 25.00 H new ATOM 141 N PRO A 604 -3.626 2.212 -20.643 1.00 25.00 N ATOM 142 CA PRO A 604 -4.909 2.903 -20.759 1.00 25.00 C ATOM 143 C PRO A 604 -5.800 2.403 -21.880 1.00 25.00 C ATOM 144 O PRO A 604 -5.349 1.783 -22.839 1.00 25.00 O ATOM 145 CB PRO A 604 -4.494 4.360 -20.969 1.00 25.00 C ATOM 146 CG PRO A 604 -3.213 4.263 -21.634 1.00 25.00 C ATOM 147 CD PRO A 604 -2.513 3.110 -20.997 1.00 25.00 C ATOM 0 HA PRO A 604 -5.529 2.737 -19.878 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.220 4.899 -21.577 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.413 4.893 -20.022 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.339 4.101 -22.705 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.640 5.183 -21.516 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.811 2.634 -21.681 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -1.945 3.416 -20.119 1.00 25.00 H new ATOM 155 N LYS A 605 -7.085 2.673 -21.719 1.00 25.00 N ATOM 156 CA LYS A 605 -8.108 2.231 -22.665 1.00 25.00 C ATOM 157 C LYS A 605 -8.005 3.127 -23.894 1.00 25.00 C ATOM 158 O LYS A 605 -7.556 4.257 -23.780 1.00 25.00 O ATOM 159 CB LYS A 605 -9.498 2.341 -22.012 1.00 25.00 C ATOM 160 CG LYS A 605 -9.821 1.237 -20.954 1.00 25.00 C ATOM 161 CD LYS A 605 -9.088 1.398 -19.588 1.00 25.00 C ATOM 162 CE LYS A 605 -7.942 0.369 -19.441 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.142 0.477 -18.152 1.00 25.00 N ATOM 0 H LYS A 605 -7.453 3.205 -20.930 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.961 1.190 -22.952 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.582 3.317 -21.534 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.255 2.304 -22.796 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.896 1.231 -20.774 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.563 0.265 -21.375 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.686 2.408 -19.505 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -9.801 1.271 -18.773 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.364 -0.634 -19.506 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -7.261 0.483 -20.284 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -6.698 -0.440 -17.941 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -6.404 1.202 -18.261 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -7.776 0.743 -17.371 1.00 25.00 H new ATOM 177 N LEU A 606 -8.400 2.642 -25.059 1.00 25.00 N ATOM 178 CA LEU A 606 -8.313 3.436 -26.282 1.00 25.00 C ATOM 179 C LEU A 606 -9.385 2.977 -27.253 1.00 25.00 C ATOM 180 O LEU A 606 -9.357 1.849 -27.717 1.00 25.00 O ATOM 181 CB LEU A 606 -6.914 3.291 -26.922 1.00 25.00 C ATOM 182 CG LEU A 606 -6.568 4.134 -28.173 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.066 3.505 -29.478 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.102 5.562 -28.050 1.00 25.00 C ATOM 0 H LEU A 606 -8.784 1.706 -25.188 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.469 4.487 -26.040 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.176 3.524 -26.155 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.780 2.242 -27.185 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.479 4.160 -28.218 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.792 4.144 -30.318 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.610 2.523 -29.606 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.150 3.400 -29.441 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.841 6.126 -28.945 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.186 5.537 -27.940 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.660 6.042 -27.177 1.00 25.00 H new ATOM 196 N GLU A 607 -10.325 3.862 -27.556 1.00 25.00 N ATOM 197 CA GLU A 607 -11.428 3.523 -28.462 1.00 25.00 C ATOM 198 C GLU A 607 -11.422 4.375 -29.743 1.00 25.00 C ATOM 199 O GLU A 607 -12.337 4.283 -30.548 1.00 25.00 O ATOM 200 CB GLU A 607 -12.777 3.673 -27.743 1.00 25.00 C ATOM 201 CG GLU A 607 -12.790 3.222 -26.270 1.00 25.00 C ATOM 202 CD GLU A 607 -12.242 1.822 -26.035 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.337 1.689 -25.170 1.00 25.00 O ATOM 204 OE2 GLU A 607 -12.703 0.868 -26.687 1.00 25.00 O ATOM 0 H GLU A 607 -10.352 4.815 -27.194 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.284 2.484 -28.760 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -13.080 4.719 -27.789 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.527 3.100 -28.288 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.207 3.930 -25.681 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.814 3.265 -25.899 1.00 25.00 H new ATOM 211 N GLY A 608 -10.390 5.205 -29.909 1.00 25.00 N ATOM 212 CA GLY A 608 -10.223 6.013 -31.124 1.00 25.00 C ATOM 213 C GLY A 608 -11.453 6.773 -31.609 1.00 25.00 C ATOM 214 O GLY A 608 -11.836 6.673 -32.769 1.00 25.00 O ATOM 0 H GLY A 608 -9.654 5.337 -29.216 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.424 6.733 -30.948 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.889 5.356 -31.927 1.00 25.00 H new ATOM 218 N GLN A 609 -12.083 7.522 -30.720 1.00 25.00 N ATOM 219 CA GLN A 609 -13.330 8.213 -31.047 1.00 25.00 C ATOM 220 C GLN A 609 -13.091 9.496 -31.833 1.00 25.00 C ATOM 221 O GLN A 609 -12.428 10.414 -31.356 1.00 25.00 O ATOM 222 CB GLN A 609 -14.072 8.529 -29.758 1.00 25.00 C ATOM 223 CG GLN A 609 -14.519 7.274 -29.008 1.00 25.00 C ATOM 224 CD GLN A 609 -15.554 6.490 -29.780 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.653 6.959 -30.008 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.202 5.305 -30.191 1.00 25.00 N ATOM 0 H GLN A 609 -11.756 7.670 -29.765 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.925 7.554 -31.680 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.428 9.124 -29.110 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.945 9.140 -29.987 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.654 6.640 -28.815 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -14.928 7.558 -28.039 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.271 4.948 -29.979 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.858 4.735 -30.725 1.00 25.00 H new ATOM 235 N MET A 610 -13.651 9.532 -33.035 1.00 25.00 N ATOM 236 CA MET A 610 -13.491 10.643 -33.982 1.00 25.00 C ATOM 237 C MET A 610 -13.734 12.020 -33.373 1.00 25.00 C ATOM 238 O MET A 610 -14.644 12.198 -32.579 1.00 25.00 O ATOM 239 CB MET A 610 -14.487 10.473 -35.140 1.00 25.00 C ATOM 240 CG MET A 610 -14.507 9.082 -35.767 1.00 25.00 C ATOM 241 SD MET A 610 -12.928 8.635 -36.483 1.00 25.00 S ATOM 242 CE MET A 610 -13.228 6.929 -36.955 1.00 25.00 C ATOM 0 H MET A 610 -14.241 8.780 -33.392 1.00 25.00 H new ATOM 0 HA MET A 610 -12.453 10.603 -34.311 1.00 25.00 H new ATOM 0 HB2 MET A 610 -15.488 10.707 -34.777 1.00 25.00 H new ATOM 0 HB3 MET A 610 -14.250 11.202 -35.915 1.00 25.00 H new ATOM 0 HG2 MET A 610 -14.780 8.348 -35.009 1.00 25.00 H new ATOM 0 HG3 MET A 610 -15.276 9.045 -36.538 1.00 25.00 H new ATOM 0 HE1 MET A 610 -12.331 6.516 -37.416 1.00 25.00 H new ATOM 0 HE2 MET A 610 -13.483 6.346 -36.070 1.00 25.00 H new ATOM 0 HE3 MET A 610 -14.053 6.888 -37.666 1.00 25.00 H new ATOM 252 N GLY A 611 -12.925 12.995 -33.766 1.00 25.00 N ATOM 253 CA GLY A 611 -13.115 14.364 -33.306 1.00 25.00 C ATOM 254 C GLY A 611 -13.879 15.144 -34.352 1.00 25.00 C ATOM 255 O GLY A 611 -13.298 15.588 -35.339 1.00 25.00 O ATOM 0 H GLY A 611 -12.135 12.865 -34.398 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.660 14.370 -32.362 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.149 14.834 -33.119 1.00 25.00 H new ATOM 259 N GLU A 612 -15.179 15.304 -34.149 1.00 25.00 N ATOM 260 CA GLU A 612 -16.052 15.993 -35.108 1.00 25.00 C ATOM 261 C GLU A 612 -15.696 17.472 -35.189 1.00 25.00 C ATOM 262 O GLU A 612 -15.934 18.126 -36.197 1.00 25.00 O ATOM 263 CB GLU A 612 -17.525 15.851 -34.694 1.00 25.00 C ATOM 264 CG GLU A 612 -18.017 14.395 -34.545 1.00 25.00 C ATOM 265 CD GLU A 612 -17.639 13.756 -33.203 1.00 25.00 C ATOM 266 OE1 GLU A 612 -17.853 12.539 -33.036 1.00 25.00 O ATOM 267 OE2 GLU A 612 -17.115 14.468 -32.311 1.00 25.00 O ATOM 0 H GLU A 612 -15.664 14.963 -33.319 1.00 25.00 H new ATOM 0 HA GLU A 612 -15.905 15.533 -36.085 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.673 16.369 -33.746 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -18.146 16.356 -35.434 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -19.101 14.373 -34.656 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -17.601 13.795 -35.354 1.00 25.00 H new ATOM 274 N ASP A 613 -15.101 17.978 -34.118 1.00 25.00 N ATOM 275 CA ASP A 613 -14.634 19.364 -34.040 1.00 25.00 C ATOM 276 C ASP A 613 -13.586 19.662 -35.110 1.00 25.00 C ATOM 277 O ASP A 613 -13.374 20.814 -35.489 1.00 25.00 O ATOM 278 CB ASP A 613 -13.921 19.614 -32.705 1.00 25.00 C ATOM 279 CG ASP A 613 -14.833 19.545 -31.500 1.00 25.00 C ATOM 280 OD1 ASP A 613 -15.534 18.535 -31.307 1.00 25.00 O ATOM 281 OD2 ASP A 613 -14.801 20.517 -30.709 1.00 25.00 O ATOM 0 H ASP A 613 -14.925 17.438 -33.270 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.518 19.989 -34.164 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.124 18.880 -32.587 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.449 20.596 -32.735 1.00 25.00 H new ATOM 286 N GLY A 614 -12.909 18.616 -35.568 1.00 25.00 N ATOM 287 CA GLY A 614 -11.803 18.779 -36.493 1.00 25.00 C ATOM 288 C GLY A 614 -10.557 19.185 -35.725 1.00 25.00 C ATOM 289 O GLY A 614 -10.653 19.713 -34.610 1.00 25.00 O ATOM 0 H GLY A 614 -13.109 17.649 -35.312 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.624 17.848 -37.031 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.047 19.536 -37.238 1.00 25.00 H new ATOM 293 N ASN A 615 -9.384 18.932 -36.305 1.00 25.00 N ATOM 294 CA ASN A 615 -8.094 19.294 -35.688 1.00 25.00 C ATOM 295 C ASN A 615 -7.976 18.728 -34.255 1.00 25.00 C ATOM 296 O ASN A 615 -7.293 19.306 -33.392 1.00 25.00 O ATOM 297 CB ASN A 615 -7.965 20.831 -35.704 1.00 25.00 C ATOM 298 CG ASN A 615 -6.552 21.303 -35.913 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.192 21.745 -36.988 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.756 21.224 -34.898 1.00 25.00 N ATOM 0 H ASN A 615 -9.294 18.473 -37.211 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.276 18.854 -36.259 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.597 21.234 -36.495 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.340 21.231 -34.762 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.789 21.538 -34.982 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.094 20.847 -34.013 1.00 25.00 H new ATOM 307 N SER A 616 -8.671 17.621 -34.005 1.00 25.00 N ATOM 308 CA SER A 616 -8.774 17.038 -32.670 1.00 25.00 C ATOM 309 C SER A 616 -9.281 15.592 -32.693 1.00 25.00 C ATOM 310 O SER A 616 -9.746 15.119 -33.730 1.00 25.00 O ATOM 311 CB SER A 616 -9.776 17.865 -31.880 1.00 25.00 C ATOM 312 OG SER A 616 -11.021 17.884 -32.537 1.00 25.00 O ATOM 0 H SER A 616 -9.179 17.103 -34.722 1.00 25.00 H new ATOM 0 HA SER A 616 -7.778 17.039 -32.226 1.00 25.00 H new ATOM 0 HB2 SER A 616 -9.892 17.449 -30.879 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.404 18.883 -31.761 1.00 25.00 H new ATOM 0 HG SER A 616 -10.989 18.522 -33.280 1.00 25.00 H new ATOM 318 N ILE A 617 -9.200 14.909 -31.551 1.00 25.00 N ATOM 319 CA ILE A 617 -9.717 13.536 -31.395 1.00 25.00 C ATOM 320 C ILE A 617 -9.911 13.215 -29.910 1.00 25.00 C ATOM 321 O ILE A 617 -9.253 13.826 -29.063 1.00 25.00 O ATOM 322 CB ILE A 617 -8.734 12.503 -32.023 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.419 11.130 -32.173 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.417 12.387 -31.201 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.930 10.298 -33.339 1.00 25.00 C ATOM 0 H ILE A 617 -8.775 15.286 -30.704 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.675 13.471 -31.911 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.461 12.863 -33.015 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.270 10.564 -31.254 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.492 11.286 -32.281 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.758 11.657 -31.671 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.921 13.357 -31.170 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.649 12.066 -30.186 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.470 9.351 -33.362 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -9.104 10.838 -34.270 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.863 10.105 -33.226 1.00 25.00 H new ATOM 337 N LYS A 618 -10.786 12.263 -29.584 1.00 25.00 N ATOM 338 CA LYS A 618 -10.979 11.843 -28.192 1.00 25.00 C ATOM 339 C LYS A 618 -10.364 10.462 -28.018 1.00 25.00 C ATOM 340 O LYS A 618 -10.534 9.581 -28.860 1.00 25.00 O ATOM 341 CB LYS A 618 -12.461 11.761 -27.797 1.00 25.00 C ATOM 342 CG LYS A 618 -13.334 12.949 -28.195 1.00 25.00 C ATOM 343 CD LYS A 618 -14.164 12.633 -29.445 1.00 25.00 C ATOM 344 CE LYS A 618 -15.568 13.224 -29.373 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.462 12.585 -30.400 1.00 25.00 N ATOM 0 H LYS A 618 -11.370 11.770 -30.259 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.505 12.588 -27.554 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.884 10.861 -28.242 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.521 11.640 -26.715 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -13.998 13.208 -27.370 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.705 13.819 -28.383 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.653 13.023 -30.326 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.233 11.552 -29.569 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.982 13.072 -28.376 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.525 14.300 -29.539 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -17.087 13.306 -30.813 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.880 12.160 -31.150 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -17.038 11.847 -29.948 1.00 25.00 H new ATOM 359 N VAL A 619 -9.667 10.266 -26.916 1.00 25.00 N ATOM 360 CA VAL A 619 -9.051 8.979 -26.602 1.00 25.00 C ATOM 361 C VAL A 619 -9.570 8.669 -25.203 1.00 25.00 C ATOM 362 O VAL A 619 -9.776 9.578 -24.400 1.00 25.00 O ATOM 363 CB VAL A 619 -7.471 9.016 -26.739 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.969 10.433 -27.111 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.759 8.518 -25.472 1.00 25.00 C ATOM 0 H VAL A 619 -9.509 10.987 -26.212 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.316 8.185 -27.300 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.219 8.331 -27.549 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.882 10.423 -27.197 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.406 10.735 -28.063 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.265 11.139 -26.335 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.680 8.564 -25.619 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.037 9.148 -24.627 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.054 7.488 -25.270 1.00 25.00 H new ATOM 375 N ASN A 620 -9.822 7.403 -24.915 1.00 25.00 N ATOM 376 CA ASN A 620 -10.400 7.034 -23.626 1.00 25.00 C ATOM 377 C ASN A 620 -9.331 6.993 -22.555 1.00 25.00 C ATOM 378 O ASN A 620 -8.154 6.837 -22.838 1.00 25.00 O ATOM 379 CB ASN A 620 -11.113 5.692 -23.709 1.00 25.00 C ATOM 380 CG ASN A 620 -12.599 5.849 -23.876 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.365 5.517 -22.991 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.013 6.367 -25.003 1.00 25.00 N ATOM 0 H ASN A 620 -9.640 6.621 -25.544 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.134 7.794 -23.360 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.713 5.121 -24.547 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.909 5.117 -22.805 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.011 6.506 -25.165 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.338 6.633 -25.720 1.00 25.00 H new ATOM 389 N LEU A 621 -9.768 7.156 -21.322 1.00 25.00 N ATOM 390 CA LEU A 621 -8.888 7.120 -20.177 1.00 25.00 C ATOM 391 C LEU A 621 -9.416 6.084 -19.193 1.00 25.00 C ATOM 392 O LEU A 621 -10.418 5.420 -19.447 1.00 25.00 O ATOM 393 CB LEU A 621 -8.804 8.522 -19.575 1.00 25.00 C ATOM 394 CG LEU A 621 -7.415 9.151 -19.491 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.614 9.097 -20.791 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.597 10.611 -19.101 1.00 25.00 C ATOM 0 H LEU A 621 -10.748 7.318 -21.088 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.876 6.825 -20.455 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.442 9.183 -20.162 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.222 8.486 -18.569 1.00 25.00 H new ATOM 0 HG LEU A 621 -6.847 8.575 -18.760 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.642 9.566 -20.639 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.473 8.058 -21.089 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -7.155 9.628 -21.574 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.622 11.093 -19.031 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.199 11.117 -19.856 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.101 10.670 -18.136 1.00 25.00 H new ATOM 408 N ILE A 622 -8.727 5.933 -18.079 1.00 25.00 N ATOM 409 CA ILE A 622 -9.130 4.992 -17.039 1.00 25.00 C ATOM 410 C ILE A 622 -10.399 5.473 -16.305 1.00 25.00 C ATOM 411 O ILE A 622 -10.475 6.608 -15.859 1.00 25.00 O ATOM 412 CB ILE A 622 -7.958 4.806 -16.009 1.00 25.00 C ATOM 413 CG1 ILE A 622 -7.033 3.660 -16.428 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.462 4.567 -14.596 1.00 25.00 C ATOM 415 CD1 ILE A 622 -6.167 3.975 -17.614 1.00 25.00 C ATOM 0 H ILE A 622 -7.876 6.453 -17.865 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.357 4.038 -17.515 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.396 5.740 -16.010 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.394 3.396 -15.585 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.639 2.783 -16.656 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.613 4.445 -13.923 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -9.061 5.419 -14.274 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -9.074 3.665 -14.576 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.542 3.113 -17.847 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -6.797 4.209 -18.472 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.533 4.831 -17.384 1.00 25.00 H new ATOM 427 N LYS A 623 -11.389 4.590 -16.175 1.00 25.00 N ATOM 428 CA LYS A 623 -12.585 4.868 -15.361 1.00 25.00 C ATOM 429 C LYS A 623 -12.792 3.833 -14.246 1.00 25.00 C ATOM 430 O LYS A 623 -13.853 3.756 -13.644 1.00 25.00 O ATOM 431 CB LYS A 623 -13.840 5.013 -16.237 1.00 25.00 C ATOM 432 CG LYS A 623 -14.040 3.924 -17.300 1.00 25.00 C ATOM 433 CD LYS A 623 -13.587 4.400 -18.662 1.00 25.00 C ATOM 434 CE LYS A 623 -14.731 5.162 -19.298 1.00 25.00 C ATOM 435 NZ LYS A 623 -14.279 6.136 -20.343 1.00 25.00 N ATOM 0 H LYS A 623 -11.392 3.673 -16.622 1.00 25.00 H new ATOM 0 HA LYS A 623 -12.412 5.825 -14.868 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.715 5.025 -15.587 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.801 5.981 -16.737 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.481 3.031 -17.019 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -15.092 3.642 -17.342 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -12.709 5.039 -18.569 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -13.300 3.553 -19.285 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -15.427 4.453 -19.747 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.278 5.698 -18.523 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -14.999 6.877 -20.461 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -13.381 6.569 -20.048 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -14.143 5.638 -21.246 1.00 25.00 H new ATOM 449 N GLN A 624 -11.767 3.036 -13.993 1.00 25.00 N ATOM 450 CA GLN A 624 -11.814 1.966 -12.992 1.00 25.00 C ATOM 451 C GLN A 624 -10.396 1.774 -12.454 1.00 25.00 C ATOM 452 O GLN A 624 -9.438 2.014 -13.178 1.00 25.00 O ATOM 453 CB GLN A 624 -12.328 0.660 -13.634 1.00 25.00 C ATOM 454 CG GLN A 624 -11.376 -0.012 -14.667 1.00 25.00 C ATOM 455 CD GLN A 624 -11.136 0.822 -15.923 1.00 25.00 C ATOM 456 OE1 GLN A 624 -11.966 0.892 -16.808 1.00 25.00 O ATOM 457 NE2 GLN A 624 -9.997 1.457 -15.998 1.00 25.00 N ATOM 0 H GLN A 624 -10.871 3.108 -14.475 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.494 2.229 -12.182 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.533 -0.057 -12.839 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.277 0.870 -14.127 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.418 -0.211 -14.187 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -11.794 -0.976 -14.957 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.319 1.380 -15.240 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -9.785 2.030 -16.815 1.00 25.00 H new ATOM 466 N ASP A 625 -10.223 1.349 -11.217 1.00 25.00 N ATOM 467 CA ASP A 625 -8.871 1.144 -10.710 1.00 25.00 C ATOM 468 C ASP A 625 -8.339 -0.175 -11.278 1.00 25.00 C ATOM 469 O ASP A 625 -8.968 -1.215 -11.196 1.00 25.00 O ATOM 470 CB ASP A 625 -8.806 1.194 -9.177 1.00 25.00 C ATOM 471 CG ASP A 625 -9.685 0.159 -8.503 1.00 25.00 C ATOM 472 OD1 ASP A 625 -10.909 0.129 -8.766 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.143 -0.607 -7.684 1.00 25.00 O ATOM 0 H ASP A 625 -10.974 1.143 -10.558 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.232 1.962 -11.043 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.774 1.046 -8.859 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.103 2.187 -8.840 1.00 25.00 H new ATOM 478 N ASP A 626 -7.166 -0.099 -11.890 1.00 25.00 N ATOM 479 CA ASP A 626 -6.557 -1.253 -12.561 1.00 25.00 C ATOM 480 C ASP A 626 -5.845 -2.188 -11.602 1.00 25.00 C ATOM 481 O ASP A 626 -5.342 -3.249 -11.992 1.00 25.00 O ATOM 482 CB ASP A 626 -5.489 -0.764 -13.518 1.00 25.00 C ATOM 483 CG ASP A 626 -6.051 0.043 -14.679 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.496 1.121 -14.932 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.011 -0.393 -15.353 1.00 25.00 O ATOM 0 H ASP A 626 -6.609 0.754 -11.939 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.373 -1.783 -13.053 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -4.772 -0.151 -12.971 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -4.942 -1.621 -13.910 1.00 25.00 H new ATOM 490 N GLY A 627 -5.756 -1.783 -10.349 1.00 25.00 N ATOM 491 CA GLY A 627 -5.005 -2.557 -9.384 1.00 25.00 C ATOM 492 C GLY A 627 -5.483 -2.448 -7.962 1.00 25.00 C ATOM 493 O GLY A 627 -6.606 -2.763 -7.641 1.00 25.00 O ATOM 0 H GLY A 627 -6.188 -0.935 -9.981 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.035 -3.605 -9.681 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.962 -2.244 -9.424 1.00 25.00 H new ATOM 497 N GLY A 628 -4.575 -2.011 -7.108 1.00 25.00 N ATOM 498 CA GLY A 628 -4.863 -1.904 -5.680 1.00 25.00 C ATOM 499 C GLY A 628 -5.063 -0.481 -5.194 1.00 25.00 C ATOM 500 O GLY A 628 -5.186 -0.238 -3.998 1.00 25.00 O ATOM 0 H GLY A 628 -3.633 -1.724 -7.373 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.760 -2.482 -5.457 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -4.044 -2.356 -5.120 1.00 25.00 H new ATOM 504 N SER A 629 -5.065 0.471 -6.114 1.00 25.00 N ATOM 505 CA SER A 629 -5.243 1.882 -5.776 1.00 25.00 C ATOM 506 C SER A 629 -5.717 2.603 -7.023 1.00 25.00 C ATOM 507 O SER A 629 -5.358 2.201 -8.140 1.00 25.00 O ATOM 508 CB SER A 629 -3.920 2.519 -5.331 1.00 25.00 C ATOM 509 OG SER A 629 -3.409 1.899 -4.164 1.00 25.00 O ATOM 0 H SER A 629 -4.944 0.293 -7.111 1.00 25.00 H new ATOM 0 HA SER A 629 -5.961 1.962 -4.960 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.189 2.440 -6.136 1.00 25.00 H new ATOM 0 HB3 SER A 629 -4.073 3.582 -5.142 1.00 25.00 H new ATOM 0 HG SER A 629 -4.022 1.191 -3.875 1.00 25.00 H new ATOM 515 N PRO A 630 -6.505 3.679 -6.863 1.00 25.00 N ATOM 516 CA PRO A 630 -6.915 4.398 -8.069 1.00 25.00 C ATOM 517 C PRO A 630 -5.767 5.178 -8.693 1.00 25.00 C ATOM 518 O PRO A 630 -4.737 5.451 -8.054 1.00 25.00 O ATOM 519 CB PRO A 630 -8.000 5.341 -7.547 1.00 25.00 C ATOM 520 CG PRO A 630 -7.582 5.633 -6.161 1.00 25.00 C ATOM 521 CD PRO A 630 -7.055 4.315 -5.647 1.00 25.00 C ATOM 0 HA PRO A 630 -7.256 3.730 -8.860 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -8.061 6.250 -8.146 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.984 4.873 -7.577 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.815 6.407 -6.131 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.418 5.989 -5.560 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.289 4.456 -4.884 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.845 3.712 -5.198 1.00 25.00 H new ATOM 529 N ILE A 631 -5.961 5.546 -9.947 1.00 25.00 N ATOM 530 CA ILE A 631 -4.999 6.346 -10.694 1.00 25.00 C ATOM 531 C ILE A 631 -4.992 7.722 -10.025 1.00 25.00 C ATOM 532 O ILE A 631 -5.985 8.119 -9.420 1.00 25.00 O ATOM 533 CB ILE A 631 -5.414 6.398 -12.208 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.794 5.215 -12.981 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.948 7.683 -12.903 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.213 3.819 -12.524 1.00 25.00 C ATOM 0 H ILE A 631 -6.794 5.298 -10.481 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.993 5.927 -10.679 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.503 6.355 -12.219 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.050 5.322 -14.035 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.709 5.289 -12.908 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.261 7.666 -13.947 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.389 8.546 -12.405 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.861 7.751 -12.852 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.715 3.070 -13.139 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.931 3.678 -11.481 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.293 3.712 -12.625 1.00 25.00 H new ATOM 548 N ARG A 632 -3.877 8.435 -10.109 1.00 25.00 N ATOM 549 CA ARG A 632 -3.771 9.781 -9.549 1.00 25.00 C ATOM 550 C ARG A 632 -3.762 10.816 -10.674 1.00 25.00 C ATOM 551 O ARG A 632 -4.446 11.836 -10.587 1.00 25.00 O ATOM 552 CB ARG A 632 -2.516 9.900 -8.668 1.00 25.00 C ATOM 553 CG ARG A 632 -2.409 8.817 -7.565 1.00 25.00 C ATOM 554 CD ARG A 632 -3.552 8.829 -6.559 1.00 25.00 C ATOM 555 NE ARG A 632 -3.601 10.096 -5.808 1.00 25.00 N ATOM 556 CZ ARG A 632 -4.302 10.304 -4.699 1.00 25.00 C ATOM 557 NH1 ARG A 632 -5.016 9.364 -4.132 1.00 25.00 N ATOM 558 NH2 ARG A 632 -4.276 11.485 -4.146 1.00 25.00 N ATOM 0 H ARG A 632 -3.026 8.103 -10.563 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.638 9.974 -8.917 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.633 9.843 -9.304 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -2.508 10.883 -8.198 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -2.368 7.836 -8.039 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.469 8.952 -7.030 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -4.497 8.677 -7.080 1.00 25.00 H new ATOM 0 HD3 ARG A 632 -3.434 7.998 -5.864 1.00 25.00 H new ATOM 0 HE ARG A 632 -3.052 10.876 -6.169 1.00 25.00 H new ATOM 0 HH11 ARG A 632 -5.048 8.431 -4.542 1.00 25.00 H new ATOM 0 HH12 ARG A 632 -5.540 9.565 -3.280 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -3.723 12.232 -4.565 1.00 25.00 H new ATOM 0 HH22 ARG A 632 -4.809 11.661 -3.294 1.00 25.00 H new ATOM 572 N HIS A 633 -2.989 10.549 -11.724 1.00 25.00 N ATOM 573 CA HIS A 633 -2.838 11.479 -12.850 1.00 25.00 C ATOM 574 C HIS A 633 -2.711 10.745 -14.188 1.00 25.00 C ATOM 575 O HIS A 633 -2.482 9.535 -14.221 1.00 25.00 O ATOM 576 CB HIS A 633 -1.563 12.314 -12.655 1.00 25.00 C ATOM 577 CG HIS A 633 -1.445 12.924 -11.292 1.00 25.00 C ATOM 578 ND1 HIS A 633 -2.201 13.978 -10.847 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.637 12.602 -10.244 1.00 25.00 C ATOM 580 CE1 HIS A 633 -1.847 14.246 -9.594 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.901 13.433 -9.171 1.00 25.00 N ATOM 0 H HIS A 633 -2.451 9.688 -11.822 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.730 12.106 -12.872 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.694 11.682 -12.837 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.541 13.108 -13.402 1.00 25.00 H new ATOM 0 HD2 HIS A 633 0.101 11.814 -10.250 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -2.282 15.034 -8.996 1.00 25.00 H new ATOM 0 HE2 HIS A 633 -0.459 13.419 -8.252 1.00 25.00 H new ATOM 589 N TYR A 634 -2.836 11.488 -15.277 1.00 25.00 N ATOM 590 CA TYR A 634 -2.633 10.961 -16.625 1.00 25.00 C ATOM 591 C TYR A 634 -1.636 11.825 -17.346 1.00 25.00 C ATOM 592 O TYR A 634 -1.573 13.038 -17.112 1.00 25.00 O ATOM 593 CB TYR A 634 -3.918 10.986 -17.425 1.00 25.00 C ATOM 594 CG TYR A 634 -4.986 10.145 -16.824 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.084 10.735 -16.180 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.920 8.746 -16.902 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.108 9.939 -15.631 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.932 7.952 -16.342 1.00 25.00 C ATOM 599 CZ TYR A 634 -7.024 8.567 -15.704 1.00 25.00 C ATOM 600 OH TYR A 634 -8.021 7.840 -15.134 1.00 25.00 O ATOM 0 H TYR A 634 -3.082 12.478 -15.254 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.282 9.933 -16.532 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.272 12.014 -17.503 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.716 10.640 -18.439 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.145 11.811 -16.104 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -4.083 8.276 -17.397 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.958 10.404 -15.154 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.873 6.875 -16.400 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.690 7.613 -15.813 1.00 25.00 H new ATOM 610 N LEU A 635 -0.858 11.193 -18.210 1.00 25.00 N ATOM 611 CA LEU A 635 0.167 11.868 -18.982 1.00 25.00 C ATOM 612 C LEU A 635 -0.058 11.460 -20.443 1.00 25.00 C ATOM 613 O LEU A 635 -0.235 10.271 -20.732 1.00 25.00 O ATOM 614 CB LEU A 635 1.560 11.451 -18.476 1.00 25.00 C ATOM 615 CG LEU A 635 1.855 11.664 -16.972 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.496 10.430 -16.109 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.338 11.971 -16.776 1.00 25.00 C ATOM 0 H LEU A 635 -0.922 10.192 -18.395 1.00 25.00 H new ATOM 0 HA LEU A 635 0.112 12.952 -18.883 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.700 10.394 -18.702 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.307 12.001 -19.049 1.00 25.00 H new ATOM 0 HG LEU A 635 1.232 12.497 -16.647 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.724 10.638 -15.064 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.433 10.211 -16.212 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.077 9.571 -16.443 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.542 12.120 -15.716 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.934 11.137 -17.146 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.598 12.875 -17.326 1.00 25.00 H new ATOM 629 N VAL A 636 -0.079 12.427 -21.350 1.00 25.00 N ATOM 630 CA VAL A 636 -0.329 12.160 -22.777 1.00 25.00 C ATOM 631 C VAL A 636 0.700 12.909 -23.618 1.00 25.00 C ATOM 632 O VAL A 636 1.009 14.062 -23.317 1.00 25.00 O ATOM 633 CB VAL A 636 -1.753 12.643 -23.221 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.103 12.085 -24.615 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.828 12.222 -22.201 1.00 25.00 C ATOM 0 H VAL A 636 0.074 13.411 -21.130 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.259 11.082 -22.925 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.734 13.732 -23.268 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.095 12.431 -24.907 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.369 12.434 -25.341 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.093 10.995 -24.584 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.805 12.571 -22.536 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.841 11.136 -22.114 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.600 12.661 -21.230 1.00 25.00 H new ATOM 645 N ARG A 637 1.215 12.274 -24.665 1.00 25.00 N ATOM 646 CA ARG A 637 2.227 12.882 -25.526 1.00 25.00 C ATOM 647 C ARG A 637 1.883 12.557 -26.978 1.00 25.00 C ATOM 648 O ARG A 637 1.589 11.416 -27.284 1.00 25.00 O ATOM 649 CB ARG A 637 3.585 12.288 -25.147 1.00 25.00 C ATOM 650 CG ARG A 637 4.759 13.082 -25.631 1.00 25.00 C ATOM 651 CD ARG A 637 6.048 12.321 -25.403 1.00 25.00 C ATOM 652 NE ARG A 637 7.216 13.091 -25.861 1.00 25.00 N ATOM 653 CZ ARG A 637 7.920 13.935 -25.113 1.00 25.00 C ATOM 654 NH1 ARG A 637 7.631 14.184 -23.860 1.00 25.00 N ATOM 655 NH2 ARG A 637 8.948 14.539 -25.643 1.00 25.00 N ATOM 0 H ARG A 637 0.946 11.330 -24.941 1.00 25.00 H new ATOM 0 HA ARG A 637 2.259 13.965 -25.405 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.641 12.202 -24.062 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.653 11.278 -25.551 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.643 13.302 -26.692 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.798 14.038 -25.109 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.154 12.092 -24.343 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.008 11.369 -25.932 1.00 25.00 H new ATOM 0 HE ARG A 637 7.509 12.967 -26.830 1.00 25.00 H new ATOM 0 HH11 ARG A 637 6.836 13.722 -23.418 1.00 25.00 H new ATOM 0 HH12 ARG A 637 8.201 14.840 -23.326 1.00 25.00 H new ATOM 0 HH21 ARG A 637 9.199 14.360 -26.615 1.00 25.00 H new ATOM 0 HH22 ARG A 637 9.500 15.190 -25.085 1.00 25.00 H new ATOM 669 N TYR A 638 1.903 13.537 -27.872 1.00 25.00 N ATOM 670 CA TYR A 638 1.550 13.284 -29.279 1.00 25.00 C ATOM 671 C TYR A 638 2.356 14.139 -30.245 1.00 25.00 C ATOM 672 O TYR A 638 2.872 15.189 -29.861 1.00 25.00 O ATOM 673 CB TYR A 638 0.040 13.477 -29.516 1.00 25.00 C ATOM 674 CG TYR A 638 -0.522 14.850 -29.198 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.947 15.712 -30.233 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.661 15.290 -27.864 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.511 16.986 -29.933 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.211 16.559 -27.575 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.636 17.387 -28.605 1.00 25.00 C ATOM 680 OH TYR A 638 -2.185 18.601 -28.291 1.00 25.00 O ATOM 0 H TYR A 638 2.155 14.503 -27.661 1.00 25.00 H new ATOM 0 HA TYR A 638 1.805 12.244 -29.481 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.173 13.254 -30.562 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.497 12.741 -28.917 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.844 15.402 -31.263 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.343 14.649 -27.055 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.839 17.636 -30.730 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.301 16.886 -26.550 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.715 18.926 -29.048 1.00 25.00 H new ATOM 690 N ARG A 639 2.465 13.667 -31.483 1.00 25.00 N ATOM 691 CA ARG A 639 3.272 14.303 -32.539 1.00 25.00 C ATOM 692 C ARG A 639 2.578 14.014 -33.862 1.00 25.00 C ATOM 693 O ARG A 639 1.849 13.041 -33.956 1.00 25.00 O ATOM 694 CB ARG A 639 4.682 13.692 -32.498 1.00 25.00 C ATOM 695 CG ARG A 639 5.599 13.936 -33.688 1.00 25.00 C ATOM 696 CD ARG A 639 5.620 12.719 -34.595 1.00 25.00 C ATOM 697 NE ARG A 639 5.939 13.076 -35.982 1.00 25.00 N ATOM 698 CZ ARG A 639 6.119 12.210 -36.971 1.00 25.00 C ATOM 699 NH1 ARG A 639 6.017 10.915 -36.805 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.400 12.667 -38.159 1.00 25.00 N ATOM 0 H ARG A 639 1.991 12.819 -31.794 1.00 25.00 H new ATOM 0 HA ARG A 639 3.364 15.381 -32.406 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.184 14.068 -31.607 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.576 12.614 -32.373 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.258 14.808 -34.246 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.608 14.156 -33.339 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.355 12.004 -34.226 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.649 12.224 -34.561 1.00 25.00 H new ATOM 0 HE ARG A 639 6.029 14.068 -36.203 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.791 10.535 -35.886 1.00 25.00 H new ATOM 0 HH12 ARG A 639 6.164 10.286 -37.595 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.478 13.672 -38.314 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.542 12.019 -38.934 1.00 25.00 H new ATOM 714 N ALA A 640 2.792 14.853 -34.865 1.00 25.00 N ATOM 715 CA ALA A 640 2.154 14.701 -36.169 1.00 25.00 C ATOM 716 C ALA A 640 3.181 14.870 -37.295 1.00 25.00 C ATOM 717 O ALA A 640 4.325 15.226 -37.036 1.00 25.00 O ATOM 718 CB ALA A 640 1.046 15.721 -36.295 1.00 25.00 C ATOM 0 H ALA A 640 3.413 15.660 -34.800 1.00 25.00 H new ATOM 0 HA ALA A 640 1.733 13.699 -36.254 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.563 15.615 -37.266 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.312 15.560 -35.505 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.463 16.724 -36.204 1.00 25.00 H new ATOM 724 N LEU A 641 2.788 14.622 -38.540 1.00 25.00 N ATOM 725 CA LEU A 641 3.731 14.755 -39.658 1.00 25.00 C ATOM 726 C LEU A 641 4.256 16.185 -39.773 1.00 25.00 C ATOM 727 O LEU A 641 5.434 16.392 -40.044 1.00 25.00 O ATOM 728 CB LEU A 641 3.095 14.353 -41.001 1.00 25.00 C ATOM 729 CG LEU A 641 2.591 12.911 -41.193 1.00 25.00 C ATOM 730 CD1 LEU A 641 2.264 12.678 -42.669 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.584 11.843 -40.719 1.00 25.00 C ATOM 0 H LEU A 641 1.846 14.334 -38.803 1.00 25.00 H new ATOM 0 HA LEU A 641 4.557 14.077 -39.442 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.252 15.021 -41.178 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.828 14.551 -41.783 1.00 25.00 H new ATOM 0 HG LEU A 641 1.701 12.808 -40.572 1.00 25.00 H new ATOM 0 HD11 LEU A 641 1.907 11.657 -42.806 1.00 25.00 H new ATOM 0 HD12 LEU A 641 1.491 13.378 -42.985 1.00 25.00 H new ATOM 0 HD13 LEU A 641 3.161 12.832 -43.269 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.160 10.853 -40.886 1.00 25.00 H new ATOM 0 HD22 LEU A 641 4.515 11.938 -41.278 1.00 25.00 H new ATOM 0 HD23 LEU A 641 3.784 11.978 -39.656 1.00 25.00 H new ATOM 743 N SER A 642 3.382 17.160 -39.565 1.00 25.00 N ATOM 744 CA SER A 642 3.743 18.574 -39.660 1.00 25.00 C ATOM 745 C SER A 642 3.881 19.264 -38.303 1.00 25.00 C ATOM 746 O SER A 642 4.043 20.480 -38.245 1.00 25.00 O ATOM 747 CB SER A 642 2.698 19.308 -40.500 1.00 25.00 C ATOM 748 OG SER A 642 2.558 18.685 -41.768 1.00 25.00 O ATOM 0 H SER A 642 2.404 16.997 -39.326 1.00 25.00 H new ATOM 0 HA SER A 642 4.725 18.615 -40.131 1.00 25.00 H new ATOM 0 HB2 SER A 642 1.740 19.310 -39.980 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.992 20.350 -40.630 1.00 25.00 H new ATOM 0 HG SER A 642 1.885 19.164 -42.295 1.00 25.00 H new ATOM 754 N SER A 643 3.805 18.511 -37.211 1.00 25.00 N ATOM 755 CA SER A 643 3.886 19.115 -35.876 1.00 25.00 C ATOM 756 C SER A 643 4.706 18.283 -34.894 1.00 25.00 C ATOM 757 O SER A 643 4.671 17.064 -34.909 1.00 25.00 O ATOM 758 CB SER A 643 2.485 19.322 -35.315 1.00 25.00 C ATOM 759 OG SER A 643 2.465 20.385 -34.376 1.00 25.00 O ATOM 0 H SER A 643 3.689 17.498 -37.216 1.00 25.00 H new ATOM 0 HA SER A 643 4.396 20.071 -35.995 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.792 19.537 -36.128 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.141 18.404 -34.838 1.00 25.00 H new ATOM 0 HG SER A 643 1.547 20.712 -34.272 1.00 25.00 H new ATOM 765 N GLU A 644 5.451 18.969 -34.048 1.00 25.00 N ATOM 766 CA GLU A 644 6.382 18.337 -33.107 1.00 25.00 C ATOM 767 C GLU A 644 5.711 17.602 -31.945 1.00 25.00 C ATOM 768 O GLU A 644 4.494 17.709 -31.735 1.00 25.00 O ATOM 769 CB GLU A 644 7.289 19.416 -32.509 1.00 25.00 C ATOM 770 CG GLU A 644 8.106 20.175 -33.536 1.00 25.00 C ATOM 771 CD GLU A 644 9.041 21.168 -32.874 1.00 25.00 C ATOM 772 OE1 GLU A 644 8.539 22.107 -32.218 1.00 25.00 O ATOM 773 OE2 GLU A 644 10.270 21.006 -33.001 1.00 25.00 O ATOM 0 H GLU A 644 5.434 19.987 -33.987 1.00 25.00 H new ATOM 0 HA GLU A 644 6.929 17.592 -33.685 1.00 25.00 H new ATOM 0 HB2 GLU A 644 6.675 20.124 -31.953 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.966 18.951 -31.793 1.00 25.00 H new ATOM 0 HG2 GLU A 644 8.684 19.472 -34.135 1.00 25.00 H new ATOM 0 HG3 GLU A 644 7.438 20.701 -34.218 1.00 25.00 H new ATOM 780 N TRP A 645 6.525 16.877 -31.181 1.00 25.00 N ATOM 781 CA TRP A 645 6.066 16.205 -29.968 1.00 25.00 C ATOM 782 C TRP A 645 5.664 17.245 -28.938 1.00 25.00 C ATOM 783 O TRP A 645 6.453 18.111 -28.568 1.00 25.00 O ATOM 784 CB TRP A 645 7.175 15.342 -29.345 1.00 25.00 C ATOM 785 CG TRP A 645 7.402 14.022 -30.026 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.423 13.681 -30.855 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.583 12.837 -29.925 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.315 12.389 -31.283 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.189 11.835 -30.739 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.381 12.531 -29.256 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.635 10.548 -30.889 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.821 11.235 -29.399 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.459 10.258 -30.219 1.00 25.00 C ATOM 0 H TRP A 645 7.515 16.739 -31.384 1.00 25.00 H new ATOM 0 HA TRP A 645 5.225 15.568 -30.244 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.107 15.907 -29.359 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.929 15.158 -28.299 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.222 14.350 -31.140 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.968 11.914 -31.907 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.892 13.273 -28.642 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.116 9.807 -31.511 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.905 10.987 -28.883 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.018 9.277 -30.319 1.00 25.00 H new ATOM 804 N LYS A 646 4.437 17.147 -28.458 1.00 25.00 N ATOM 805 CA LYS A 646 3.964 18.033 -27.396 1.00 25.00 C ATOM 806 C LYS A 646 4.657 17.509 -26.146 1.00 25.00 C ATOM 807 O LYS A 646 4.954 16.320 -26.081 1.00 25.00 O ATOM 808 CB LYS A 646 2.434 17.975 -27.265 1.00 25.00 C ATOM 809 CG LYS A 646 1.688 18.910 -28.241 1.00 25.00 C ATOM 810 CD LYS A 646 1.815 18.453 -29.695 1.00 25.00 C ATOM 811 CE LYS A 646 1.141 19.399 -30.657 1.00 25.00 C ATOM 812 NZ LYS A 646 1.367 18.906 -32.051 1.00 25.00 N ATOM 0 H LYS A 646 3.749 16.467 -28.782 1.00 25.00 H new ATOM 0 HA LYS A 646 4.194 19.081 -27.587 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.103 16.950 -27.434 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.156 18.235 -26.244 1.00 25.00 H new ATOM 0 HG2 LYS A 646 0.634 18.952 -27.966 1.00 25.00 H new ATOM 0 HG3 LYS A 646 2.083 19.921 -28.145 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.870 18.366 -29.955 1.00 25.00 H new ATOM 0 HD3 LYS A 646 1.378 17.460 -29.800 1.00 25.00 H new ATOM 0 HE2 LYS A 646 0.073 19.457 -30.445 1.00 25.00 H new ATOM 0 HE3 LYS A 646 1.544 20.405 -30.542 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 1.752 19.677 -32.634 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 2.041 18.114 -32.034 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 0.465 18.584 -32.456 1.00 25.00 H new ATOM 826 N PRO A 647 4.936 18.376 -25.154 1.00 25.00 N ATOM 827 CA PRO A 647 5.660 17.851 -23.986 1.00 25.00 C ATOM 828 C PRO A 647 4.863 16.824 -23.175 1.00 25.00 C ATOM 829 O PRO A 647 5.196 15.652 -23.184 1.00 25.00 O ATOM 830 CB PRO A 647 5.986 19.116 -23.183 1.00 25.00 C ATOM 831 CG PRO A 647 4.928 20.102 -23.573 1.00 25.00 C ATOM 832 CD PRO A 647 4.659 19.821 -25.028 1.00 25.00 C ATOM 0 HA PRO A 647 6.546 17.284 -24.273 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.967 18.919 -22.111 1.00 25.00 H new ATOM 0 HB3 PRO A 647 6.982 19.490 -23.421 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.027 19.974 -22.972 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.268 21.127 -23.424 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.630 20.058 -25.300 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.305 20.412 -25.678 1.00 25.00 H new ATOM 840 N GLU A 648 3.822 17.255 -22.479 1.00 25.00 N ATOM 841 CA GLU A 648 2.974 16.344 -21.721 1.00 25.00 C ATOM 842 C GLU A 648 1.653 17.056 -21.464 1.00 25.00 C ATOM 843 O GLU A 648 1.650 18.270 -21.217 1.00 25.00 O ATOM 844 CB GLU A 648 3.636 15.986 -20.386 1.00 25.00 C ATOM 845 CG GLU A 648 3.241 14.617 -19.875 1.00 25.00 C ATOM 846 CD GLU A 648 3.871 13.488 -20.690 1.00 25.00 C ATOM 847 OE1 GLU A 648 3.115 12.746 -21.350 1.00 25.00 O ATOM 848 OE2 GLU A 648 5.112 13.337 -20.663 1.00 25.00 O ATOM 0 H GLU A 648 3.542 18.234 -22.423 1.00 25.00 H new ATOM 0 HA GLU A 648 2.817 15.421 -22.279 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.719 16.025 -20.502 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.368 16.736 -19.642 1.00 25.00 H new ATOM 0 HG2 GLU A 648 3.542 14.521 -18.832 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.156 14.520 -19.904 1.00 25.00 H new ATOM 855 N ILE A 649 0.540 16.341 -21.527 1.00 25.00 N ATOM 856 CA ILE A 649 -0.772 16.947 -21.270 1.00 25.00 C ATOM 857 C ILE A 649 -1.275 16.490 -19.887 1.00 25.00 C ATOM 858 O ILE A 649 -1.266 15.312 -19.555 1.00 25.00 O ATOM 859 CB ILE A 649 -1.805 16.642 -22.402 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.158 16.736 -23.807 1.00 25.00 C ATOM 861 CG2 ILE A 649 -2.993 17.642 -22.340 1.00 25.00 C ATOM 862 CD1 ILE A 649 -0.548 18.129 -24.205 1.00 25.00 C ATOM 0 H ILE A 649 0.511 15.346 -21.752 1.00 25.00 H new ATOM 0 HA ILE A 649 -0.660 18.031 -21.268 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.161 15.624 -22.241 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.369 15.987 -23.870 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -1.911 16.469 -24.548 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -3.702 17.414 -23.136 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.491 17.556 -21.374 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -2.620 18.658 -22.466 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.126 18.068 -25.208 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -1.330 18.888 -24.186 1.00 25.00 H new ATOM 0 HD13 ILE A 649 0.236 18.398 -23.497 1.00 25.00 H new ATOM 874 N ARG A 650 -1.676 17.478 -19.098 1.00 25.00 N ATOM 875 CA ARG A 650 -2.042 17.347 -17.669 1.00 25.00 C ATOM 876 C ARG A 650 -3.488 16.939 -17.286 1.00 25.00 C ATOM 877 O ARG A 650 -4.393 17.764 -17.288 1.00 25.00 O ATOM 878 CB ARG A 650 -1.871 18.777 -17.142 1.00 25.00 C ATOM 879 CG ARG A 650 -2.752 19.818 -17.960 1.00 25.00 C ATOM 880 CD ARG A 650 -1.979 21.071 -18.336 1.00 25.00 C ATOM 881 NE ARG A 650 -1.638 21.830 -17.117 1.00 25.00 N ATOM 882 CZ ARG A 650 -1.026 23.009 -17.084 1.00 25.00 C ATOM 883 NH1 ARG A 650 -0.650 23.634 -18.172 1.00 25.00 N ATOM 884 NH2 ARG A 650 -0.797 23.572 -15.929 1.00 25.00 N ATOM 0 H ARG A 650 -1.763 18.436 -19.437 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.430 16.539 -17.270 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.151 18.812 -16.089 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -0.821 19.063 -17.202 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.124 19.340 -18.866 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -3.622 20.097 -17.366 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -1.070 20.801 -18.874 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.575 21.690 -19.007 1.00 25.00 H new ATOM 0 HE ARG A 650 -1.894 21.413 -16.222 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -0.825 23.217 -19.086 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -0.183 24.538 -18.105 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -1.087 23.107 -15.069 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -0.328 24.477 -15.887 1.00 25.00 H new ATOM 898 N LEU A 651 -3.749 15.706 -16.904 1.00 25.00 N ATOM 899 CA LEU A 651 -5.151 15.367 -16.612 1.00 25.00 C ATOM 900 C LEU A 651 -5.351 14.637 -15.283 1.00 25.00 C ATOM 901 O LEU A 651 -4.531 13.803 -14.893 1.00 25.00 O ATOM 902 CB LEU A 651 -5.762 14.618 -17.811 1.00 25.00 C ATOM 903 CG LEU A 651 -6.168 15.453 -19.067 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.177 16.551 -18.730 1.00 25.00 C ATOM 905 CD2 LEU A 651 -4.987 16.103 -19.882 1.00 25.00 C ATOM 0 H LEU A 651 -3.068 14.955 -16.790 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.693 16.302 -16.474 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.047 13.860 -18.131 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.649 14.091 -17.459 1.00 25.00 H new ATOM 0 HG LEU A 651 -6.613 14.695 -19.712 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.429 17.104 -19.635 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.080 16.101 -18.317 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.743 17.232 -17.998 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -5.391 16.657 -20.729 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -4.430 16.783 -19.237 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -4.321 15.320 -20.245 1.00 25.00 H new ATOM 917 N PRO A 652 -6.442 14.969 -14.552 1.00 25.00 N ATOM 918 CA PRO A 652 -6.682 14.350 -13.245 1.00 25.00 C ATOM 919 C PRO A 652 -7.282 12.967 -13.376 1.00 25.00 C ATOM 920 O PRO A 652 -7.826 12.626 -14.416 1.00 25.00 O ATOM 921 CB PRO A 652 -7.706 15.295 -12.614 1.00 25.00 C ATOM 922 CG PRO A 652 -8.524 15.732 -13.775 1.00 25.00 C ATOM 923 CD PRO A 652 -7.511 15.942 -14.874 1.00 25.00 C ATOM 0 HA PRO A 652 -5.765 14.222 -12.670 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.312 14.789 -11.862 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.225 16.139 -12.120 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.262 14.978 -14.050 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.071 16.649 -13.556 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -7.942 15.754 -15.858 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.134 16.965 -14.882 1.00 25.00 H new ATOM 931 N SER A 653 -7.211 12.184 -12.309 1.00 25.00 N ATOM 932 CA SER A 653 -7.748 10.824 -12.296 1.00 25.00 C ATOM 933 C SER A 653 -9.233 10.730 -12.635 1.00 25.00 C ATOM 934 O SER A 653 -9.686 9.709 -13.127 1.00 25.00 O ATOM 935 CB SER A 653 -7.540 10.239 -10.916 1.00 25.00 C ATOM 936 OG SER A 653 -8.032 11.122 -9.920 1.00 25.00 O ATOM 0 H SER A 653 -6.782 12.469 -11.429 1.00 25.00 H new ATOM 0 HA SER A 653 -7.214 10.275 -13.072 1.00 25.00 H new ATOM 0 HB2 SER A 653 -8.050 9.278 -10.842 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.479 10.051 -10.751 1.00 25.00 H new ATOM 0 HG SER A 653 -7.891 10.727 -9.034 1.00 25.00 H new ATOM 942 N GLY A 654 -9.980 11.796 -12.375 1.00 25.00 N ATOM 943 CA GLY A 654 -11.411 11.802 -12.644 1.00 25.00 C ATOM 944 C GLY A 654 -11.781 12.023 -14.101 1.00 25.00 C ATOM 945 O GLY A 654 -12.956 12.038 -14.446 1.00 25.00 O ATOM 0 H GLY A 654 -9.619 12.664 -11.980 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.833 10.852 -12.316 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.877 12.582 -12.042 1.00 25.00 H new ATOM 949 N SER A 655 -10.788 12.198 -14.961 1.00 25.00 N ATOM 950 CA SER A 655 -11.040 12.384 -16.388 1.00 25.00 C ATOM 951 C SER A 655 -11.228 10.982 -16.981 1.00 25.00 C ATOM 952 O SER A 655 -10.274 10.222 -17.050 1.00 25.00 O ATOM 953 CB SER A 655 -9.854 13.107 -17.045 1.00 25.00 C ATOM 954 OG SER A 655 -10.239 13.797 -18.224 1.00 25.00 O ATOM 0 H SER A 655 -9.802 12.216 -14.700 1.00 25.00 H new ATOM 0 HA SER A 655 -11.924 12.998 -16.563 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.422 13.814 -16.336 1.00 25.00 H new ATOM 0 HB3 SER A 655 -9.076 12.382 -17.287 1.00 25.00 H new ATOM 0 HG SER A 655 -10.411 13.150 -18.940 1.00 25.00 H new ATOM 960 N ASP A 656 -12.441 10.628 -17.384 1.00 25.00 N ATOM 961 CA ASP A 656 -12.706 9.281 -17.914 1.00 25.00 C ATOM 962 C ASP A 656 -12.288 9.150 -19.378 1.00 25.00 C ATOM 963 O ASP A 656 -12.151 8.045 -19.910 1.00 25.00 O ATOM 964 CB ASP A 656 -14.188 8.929 -17.798 1.00 25.00 C ATOM 965 CG ASP A 656 -14.994 9.443 -18.970 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.567 8.607 -19.708 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.047 10.673 -19.165 1.00 25.00 O ATOM 0 H ASP A 656 -13.255 11.242 -17.358 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.112 8.592 -17.314 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -14.298 7.847 -17.731 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.587 9.347 -16.874 1.00 25.00 H new ATOM 972 N HIS A 657 -12.077 10.286 -20.020 1.00 25.00 N ATOM 973 CA HIS A 657 -11.597 10.343 -21.391 1.00 25.00 C ATOM 974 C HIS A 657 -10.809 11.634 -21.486 1.00 25.00 C ATOM 975 O HIS A 657 -10.852 12.456 -20.569 1.00 25.00 O ATOM 976 CB HIS A 657 -12.750 10.324 -22.406 1.00 25.00 C ATOM 977 CG HIS A 657 -13.389 11.660 -22.625 1.00 25.00 C ATOM 978 ND1 HIS A 657 -13.060 12.514 -23.652 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.376 12.300 -21.937 1.00 25.00 C ATOM 980 CE1 HIS A 657 -13.819 13.598 -23.553 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.638 13.526 -22.524 1.00 25.00 N ATOM 0 H HIS A 657 -12.235 11.203 -19.601 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.987 9.472 -21.630 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.375 9.951 -23.359 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.510 9.621 -22.065 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -14.879 11.909 -21.065 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -13.771 14.436 -24.233 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -15.319 14.224 -22.224 1.00 25.00 H new ATOM 989 N VAL A 658 -10.105 11.821 -22.586 1.00 25.00 N ATOM 990 CA VAL A 658 -9.375 13.056 -22.830 1.00 25.00 C ATOM 991 C VAL A 658 -9.627 13.415 -24.289 1.00 25.00 C ATOM 992 O VAL A 658 -9.872 12.532 -25.113 1.00 25.00 O ATOM 993 CB VAL A 658 -7.844 12.881 -22.507 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.169 11.898 -23.462 1.00 25.00 C ATOM 995 CG2 VAL A 658 -7.112 14.220 -22.536 1.00 25.00 C ATOM 0 H VAL A 658 -10.021 11.130 -23.331 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.715 13.862 -22.179 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.783 12.471 -21.499 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.114 11.807 -23.204 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.649 10.923 -23.379 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.262 12.262 -24.485 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -6.058 14.063 -22.309 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.208 14.666 -23.526 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.547 14.889 -21.794 1.00 25.00 H new ATOM 1005 N MET A 659 -9.574 14.694 -24.617 1.00 25.00 N ATOM 1006 CA MET A 659 -9.698 15.136 -25.998 1.00 25.00 C ATOM 1007 C MET A 659 -8.466 15.966 -26.281 1.00 25.00 C ATOM 1008 O MET A 659 -8.116 16.855 -25.507 1.00 25.00 O ATOM 1009 CB MET A 659 -10.974 15.941 -26.240 1.00 25.00 C ATOM 1010 CG MET A 659 -11.156 16.274 -27.716 1.00 25.00 C ATOM 1011 SD MET A 659 -12.814 16.774 -28.145 1.00 25.00 S ATOM 1012 CE MET A 659 -12.765 16.480 -29.936 1.00 25.00 C ATOM 0 H MET A 659 -9.445 15.449 -23.943 1.00 25.00 H new ATOM 0 HA MET A 659 -9.770 14.279 -26.668 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.835 15.374 -25.885 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.939 16.863 -25.660 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.465 17.072 -27.986 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.884 15.402 -28.311 1.00 25.00 H new ATOM 0 HE1 MET A 659 -13.078 17.382 -30.462 1.00 25.00 H new ATOM 0 HE2 MET A 659 -11.749 16.220 -30.234 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.438 15.661 -30.189 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.802 15.661 -27.379 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.589 16.361 -27.766 1.00 25.00 C ATOM 1024 C LEU A 660 -6.945 17.263 -28.913 1.00 25.00 C ATOM 1025 O LEU A 660 -7.773 16.902 -29.734 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.523 15.368 -28.219 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.075 14.335 -27.179 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.111 13.391 -27.854 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.419 15.002 -25.962 1.00 25.00 C ATOM 0 H LEU A 660 -8.085 14.925 -28.026 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.193 16.926 -26.922 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -5.900 14.834 -29.091 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.647 15.930 -28.543 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.944 13.793 -26.805 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.773 12.642 -27.138 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.609 12.897 -28.688 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.253 13.951 -28.225 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.115 14.237 -25.248 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.544 15.566 -26.284 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.132 15.677 -25.489 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.313 18.423 -28.970 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.528 19.397 -30.043 1.00 25.00 C ATOM 1043 C LYS A 661 -5.145 19.795 -30.517 1.00 25.00 C ATOM 1044 O LYS A 661 -4.156 19.287 -29.995 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.309 20.618 -29.529 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.772 20.314 -29.194 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.727 21.187 -30.001 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.154 20.717 -29.778 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.169 21.543 -30.526 1.00 25.00 N ATOM 0 H LYS A 661 -5.632 18.723 -28.273 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.122 18.975 -30.854 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.814 21.007 -28.639 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.274 21.405 -30.282 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -8.981 19.263 -29.395 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.943 20.475 -28.130 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.625 22.230 -29.701 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.477 21.135 -31.061 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.241 19.676 -30.089 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.380 20.751 -28.712 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.102 21.089 -30.461 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.217 22.495 -30.109 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -11.889 21.616 -31.525 1.00 25.00 H new ATOM 1063 N SER A 662 -5.081 20.699 -31.483 1.00 25.00 N ATOM 1064 CA SER A 662 -3.805 21.187 -32.032 1.00 25.00 C ATOM 1065 C SER A 662 -2.940 20.033 -32.545 1.00 25.00 C ATOM 1066 O SER A 662 -1.776 19.874 -32.167 1.00 25.00 O ATOM 1067 CB SER A 662 -3.047 22.012 -30.987 1.00 25.00 C ATOM 1068 OG SER A 662 -3.897 23.010 -30.443 1.00 25.00 O ATOM 0 H SER A 662 -5.904 21.120 -31.914 1.00 25.00 H new ATOM 0 HA SER A 662 -4.033 21.832 -32.881 1.00 25.00 H new ATOM 0 HB2 SER A 662 -2.683 21.361 -30.192 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.173 22.477 -31.443 1.00 25.00 H new ATOM 0 HG SER A 662 -3.404 23.531 -29.775 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.541 19.231 -33.411 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.895 18.083 -34.030 1.00 25.00 C ATOM 1076 C LEU A 663 -3.313 18.122 -35.488 1.00 25.00 C ATOM 1077 O LEU A 663 -4.315 18.757 -35.820 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.337 16.779 -33.342 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.848 16.528 -33.133 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.530 15.952 -34.360 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.012 15.564 -31.962 1.00 25.00 C ATOM 0 H LEU A 663 -4.508 19.362 -33.709 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.810 18.118 -33.934 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.941 15.947 -33.924 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.857 16.741 -32.364 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.324 17.488 -32.934 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.588 15.799 -34.150 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.423 16.645 -35.195 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.069 14.998 -34.618 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.072 15.371 -31.795 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.504 14.627 -32.189 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.578 16.004 -31.065 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.556 17.470 -36.353 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.867 17.488 -37.774 1.00 25.00 C ATOM 1095 C ASP A 664 -4.113 16.649 -37.971 1.00 25.00 C ATOM 1096 O ASP A 664 -4.256 15.608 -37.357 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.746 16.868 -38.616 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.427 17.632 -38.527 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.361 18.704 -37.888 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.566 17.128 -39.098 1.00 25.00 O ATOM 0 H ASP A 664 -1.730 16.927 -36.102 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.998 18.523 -38.091 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.584 15.840 -38.292 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.064 16.827 -39.658 1.00 25.00 H new ATOM 1105 N TRP A 665 -5.017 17.084 -38.829 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.213 16.293 -39.125 1.00 25.00 C ATOM 1107 C TRP A 665 -6.159 15.831 -40.571 1.00 25.00 C ATOM 1108 O TRP A 665 -6.639 14.761 -40.908 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.472 17.113 -38.852 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.472 18.436 -39.549 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.910 19.592 -39.116 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -8.057 18.754 -40.828 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -7.085 20.604 -40.008 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.782 20.130 -41.085 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.774 18.013 -41.791 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -8.198 20.776 -42.266 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -9.202 18.663 -42.980 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.901 20.039 -43.203 1.00 25.00 C ATOM 0 H TRP A 665 -4.954 17.969 -39.332 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.245 15.417 -38.478 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.346 16.543 -39.168 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.568 17.275 -37.778 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.387 19.696 -38.177 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.751 21.561 -39.892 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.994 16.968 -41.627 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.974 21.819 -42.436 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.760 18.110 -43.721 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -9.227 20.513 -44.117 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.554 16.653 -41.412 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.415 16.382 -42.839 1.00 25.00 C ATOM 1131 C ASN A 666 -4.110 15.644 -43.111 1.00 25.00 C ATOM 1132 O ASN A 666 -3.729 15.449 -44.263 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.406 17.708 -43.607 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.231 18.577 -43.236 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -4.067 18.961 -42.082 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.407 18.884 -44.194 1.00 25.00 N ATOM 0 H ASN A 666 -5.139 17.539 -41.123 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.252 15.764 -43.164 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.381 17.505 -44.678 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.332 18.248 -43.406 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.590 19.463 -43.998 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.577 18.546 -45.141 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.432 15.244 -42.047 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.174 14.516 -42.137 1.00 25.00 C ATOM 1145 C ALA A 667 -2.170 13.557 -40.951 1.00 25.00 C ATOM 1146 O ALA A 667 -3.028 13.652 -40.076 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.973 15.475 -42.097 1.00 25.00 C ATOM 0 H ALA A 667 -3.740 15.416 -41.090 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.087 13.977 -43.080 1.00 25.00 H new ATOM 0 HB1 ALA A 667 -0.048 14.903 -42.166 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -1.034 16.169 -42.935 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.985 16.034 -41.161 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.224 12.639 -40.943 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.163 11.581 -39.942 1.00 25.00 C ATOM 1155 C GLU A 668 -0.491 12.024 -38.639 1.00 25.00 C ATOM 1156 O GLU A 668 0.425 12.849 -38.646 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.401 10.405 -40.566 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.473 9.106 -39.798 1.00 25.00 C ATOM 1159 CD GLU A 668 -0.567 7.897 -40.727 1.00 25.00 C ATOM 1160 OE1 GLU A 668 0.297 7.748 -41.611 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -1.522 7.096 -40.578 1.00 25.00 O ATOM 0 H GLU A 668 -0.472 12.602 -41.631 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.179 11.299 -39.666 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.788 10.235 -41.571 1.00 25.00 H new ATOM 0 HB3 GLU A 668 0.646 10.688 -40.671 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.409 9.009 -39.165 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -1.339 9.123 -39.137 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.945 11.475 -37.523 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.347 11.769 -36.227 1.00 25.00 C ATOM 1170 C TYR A 669 -0.416 10.559 -35.315 1.00 25.00 C ATOM 1171 O TYR A 669 -1.226 9.659 -35.524 1.00 25.00 O ATOM 1172 CB TYR A 669 -1.046 12.962 -35.575 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.490 12.733 -35.251 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.480 12.975 -36.213 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.881 12.282 -33.975 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.837 12.792 -35.913 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.247 12.092 -33.669 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.208 12.357 -34.643 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.528 12.205 -34.357 1.00 25.00 O ATOM 0 H TYR A 669 -1.727 10.822 -37.487 1.00 25.00 H new ATOM 0 HA TYR A 669 0.702 12.021 -36.386 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.517 13.220 -34.658 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.968 13.821 -36.241 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.193 13.307 -37.200 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.131 12.080 -33.225 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.590 12.987 -36.662 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.544 11.745 -32.690 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.932 11.585 -34.999 1.00 25.00 H new ATOM 1189 N GLU A 670 0.449 10.550 -34.313 1.00 25.00 N ATOM 1190 CA GLU A 670 0.552 9.457 -33.351 1.00 25.00 C ATOM 1191 C GLU A 670 0.326 10.009 -31.947 1.00 25.00 C ATOM 1192 O GLU A 670 0.715 11.143 -31.643 1.00 25.00 O ATOM 1193 CB GLU A 670 1.936 8.792 -33.454 1.00 25.00 C ATOM 1194 CG GLU A 670 3.118 9.743 -33.187 1.00 25.00 C ATOM 1195 CD GLU A 670 4.463 9.114 -33.510 1.00 25.00 C ATOM 1196 OE1 GLU A 670 5.156 9.627 -34.421 1.00 25.00 O ATOM 1197 OE2 GLU A 670 4.838 8.123 -32.859 1.00 25.00 O ATOM 0 H GLU A 670 1.108 11.309 -34.140 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.205 8.703 -33.567 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.983 7.965 -32.745 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.047 8.364 -34.450 1.00 25.00 H new ATOM 0 HG2 GLU A 670 2.993 10.648 -33.782 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.106 10.046 -32.140 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.312 9.216 -31.097 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.615 9.615 -29.721 1.00 25.00 C ATOM 1206 C VAL A 671 -0.202 8.512 -28.765 1.00 25.00 C ATOM 1207 O VAL A 671 -0.583 7.370 -28.960 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.145 9.824 -29.532 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.475 10.220 -28.082 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.682 10.882 -30.505 1.00 25.00 C ATOM 0 H VAL A 671 -0.635 8.279 -31.337 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.076 10.541 -29.520 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.635 8.875 -29.750 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.551 10.360 -27.979 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.145 9.432 -27.405 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.963 11.150 -27.833 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.754 11.008 -30.351 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.176 11.831 -30.326 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.498 10.560 -31.530 1.00 25.00 H new ATOM 1220 N TYR A 672 0.548 8.864 -27.731 1.00 25.00 N ATOM 1221 CA TYR A 672 0.939 7.938 -26.668 1.00 25.00 C ATOM 1222 C TYR A 672 0.297 8.439 -25.393 1.00 25.00 C ATOM 1223 O TYR A 672 0.206 9.644 -25.173 1.00 25.00 O ATOM 1224 CB TYR A 672 2.457 7.907 -26.493 1.00 25.00 C ATOM 1225 CG TYR A 672 3.134 7.057 -27.531 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.607 5.768 -27.210 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.292 7.524 -28.844 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.210 4.947 -28.199 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.907 6.713 -29.837 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.355 5.431 -29.507 1.00 25.00 C ATOM 1231 OH TYR A 672 4.928 4.640 -30.468 1.00 25.00 O ATOM 0 H TYR A 672 0.908 9.809 -27.601 1.00 25.00 H new ATOM 0 HA TYR A 672 0.616 6.927 -26.915 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.848 8.923 -26.548 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.698 7.526 -25.501 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.509 5.401 -26.199 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.942 8.512 -29.104 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.555 3.956 -27.945 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.028 7.087 -30.843 1.00 25.00 H new ATOM 0 HH TYR A 672 4.952 5.125 -31.319 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.157 7.525 -24.556 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.823 7.891 -23.315 1.00 25.00 C ATOM 1243 C VAL A 673 -0.464 6.855 -22.255 1.00 25.00 C ATOM 1244 O VAL A 673 -0.341 5.659 -22.555 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.379 7.987 -23.547 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.906 6.752 -24.308 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.145 8.194 -22.226 1.00 25.00 C ATOM 0 H VAL A 673 -0.077 6.520 -24.712 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.492 8.871 -22.971 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.559 8.866 -24.166 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -3.982 6.846 -24.453 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.413 6.685 -25.278 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.695 5.852 -23.731 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.214 8.255 -22.431 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.951 7.355 -21.558 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.813 9.119 -21.754 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.283 7.320 -21.026 1.00 25.00 N ATOM 1258 CA VAL A 674 -0.023 6.448 -19.881 1.00 25.00 C ATOM 1259 C VAL A 674 -0.857 6.954 -18.711 1.00 25.00 C ATOM 1260 O VAL A 674 -1.292 8.112 -18.683 1.00 25.00 O ATOM 1261 CB VAL A 674 1.489 6.427 -19.456 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.345 5.779 -20.526 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.007 7.826 -19.172 1.00 25.00 C ATOM 0 H VAL A 674 -0.312 8.312 -20.791 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.287 5.430 -20.166 1.00 25.00 H new ATOM 0 HB VAL A 674 1.555 5.839 -18.541 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.387 5.777 -20.207 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.013 4.753 -20.686 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.251 6.340 -21.456 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.056 7.773 -18.881 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.909 8.439 -20.068 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.428 8.271 -18.363 1.00 25.00 H new ATOM 1273 N ALA A 675 -1.067 6.082 -17.743 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.785 6.419 -16.530 1.00 25.00 C ATOM 1275 C ALA A 675 -0.757 6.315 -15.419 1.00 25.00 C ATOM 1276 O ALA A 675 0.164 5.516 -15.511 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.931 5.445 -16.313 1.00 25.00 C ATOM 0 H ALA A 675 -0.742 5.116 -17.777 1.00 25.00 H new ATOM 0 HA ALA A 675 -2.227 7.414 -16.570 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.464 5.708 -15.399 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.616 5.495 -17.159 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.536 4.433 -16.225 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.900 7.119 -14.387 1.00 25.00 N ATOM 1284 CA GLU A 676 0.025 7.091 -13.265 1.00 25.00 C ATOM 1285 C GLU A 676 -0.770 7.007 -11.977 1.00 25.00 C ATOM 1286 O GLU A 676 -1.594 7.881 -11.678 1.00 25.00 O ATOM 1287 CB GLU A 676 0.895 8.348 -13.306 1.00 25.00 C ATOM 1288 CG GLU A 676 1.827 8.521 -12.134 1.00 25.00 C ATOM 1289 CD GLU A 676 3.172 9.081 -12.548 1.00 25.00 C ATOM 1290 OE1 GLU A 676 3.209 10.167 -13.167 1.00 25.00 O ATOM 1291 OE2 GLU A 676 4.205 8.435 -12.278 1.00 25.00 O ATOM 0 H GLU A 676 -1.650 7.804 -14.298 1.00 25.00 H new ATOM 0 HA GLU A 676 0.680 6.221 -13.322 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.487 8.331 -14.221 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.243 9.220 -13.364 1.00 25.00 H new ATOM 0 HG2 GLU A 676 1.368 9.186 -11.403 1.00 25.00 H new ATOM 0 HG3 GLU A 676 1.972 7.559 -11.643 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.544 5.950 -11.210 1.00 25.00 N ATOM 1299 CA ASN A 677 -1.217 5.795 -9.930 1.00 25.00 C ATOM 1300 C ASN A 677 -0.176 6.128 -8.872 1.00 25.00 C ATOM 1301 O ASN A 677 0.945 6.475 -9.194 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.915 4.415 -9.760 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.971 3.270 -9.474 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.221 3.428 -9.396 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.529 2.101 -9.303 1.00 25.00 N ATOM 0 H ASN A 677 0.096 5.192 -11.450 1.00 25.00 H new ATOM 0 HA ASN A 677 -2.064 6.476 -9.839 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.639 4.485 -8.948 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.475 4.190 -10.668 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.952 1.286 -9.096 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.542 2.004 -9.376 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.551 6.047 -7.612 1.00 25.00 N ATOM 1313 CA GLN A 678 0.344 6.432 -6.520 1.00 25.00 C ATOM 1314 C GLN A 678 1.516 5.457 -6.285 1.00 25.00 C ATOM 1315 O GLN A 678 2.309 5.649 -5.372 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.464 6.734 -5.251 1.00 25.00 C ATOM 1317 CG GLN A 678 -1.705 5.869 -5.046 1.00 25.00 C ATOM 1318 CD GLN A 678 -2.360 6.121 -3.709 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -3.362 6.813 -3.628 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -1.807 5.566 -2.666 1.00 25.00 N ATOM 0 H GLN A 678 -1.468 5.719 -7.310 1.00 25.00 H new ATOM 0 HA GLN A 678 0.842 7.352 -6.827 1.00 25.00 H new ATOM 0 HB2 GLN A 678 0.189 6.613 -4.387 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.770 7.780 -5.276 1.00 25.00 H new ATOM 0 HG2 GLN A 678 -2.421 6.069 -5.843 1.00 25.00 H new ATOM 0 HG3 GLN A 678 -1.429 4.817 -5.121 1.00 25.00 H new ATOM 0 HE21 GLN A 678 -0.969 4.994 -2.776 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -2.212 5.704 -1.740 1.00 25.00 H new ATOM 1329 N GLN A 679 1.602 4.412 -7.099 1.00 25.00 N ATOM 1330 CA GLN A 679 2.689 3.433 -7.019 1.00 25.00 C ATOM 1331 C GLN A 679 3.629 3.513 -8.226 1.00 25.00 C ATOM 1332 O GLN A 679 4.821 3.273 -8.085 1.00 25.00 O ATOM 1333 CB GLN A 679 2.118 2.014 -6.963 1.00 25.00 C ATOM 1334 CG GLN A 679 1.983 1.465 -5.562 1.00 25.00 C ATOM 1335 CD GLN A 679 0.957 2.194 -4.706 1.00 25.00 C ATOM 1336 OE1 GLN A 679 1.204 2.484 -3.539 1.00 25.00 O ATOM 1337 NE2 GLN A 679 -0.193 2.468 -5.263 1.00 25.00 N ATOM 0 H GLN A 679 0.923 4.216 -7.834 1.00 25.00 H new ATOM 0 HA GLN A 679 3.252 3.665 -6.115 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.139 2.008 -7.441 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.760 1.351 -7.543 1.00 25.00 H new ATOM 0 HG2 GLN A 679 1.709 0.412 -5.621 1.00 25.00 H new ATOM 0 HG3 GLN A 679 2.954 1.515 -5.068 1.00 25.00 H new ATOM 0 HE21 GLN A 679 -0.362 2.212 -6.236 1.00 25.00 H new ATOM 0 HE22 GLN A 679 -0.921 2.938 -4.725 1.00 25.00 H new ATOM 1346 N GLY A 680 3.096 3.835 -9.398 1.00 25.00 N ATOM 1347 CA GLY A 680 3.911 3.892 -10.601 1.00 25.00 C ATOM 1348 C GLY A 680 3.100 4.129 -11.863 1.00 25.00 C ATOM 1349 O GLY A 680 1.916 4.493 -11.800 1.00 25.00 O ATOM 0 H GLY A 680 2.111 4.059 -9.539 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.648 4.688 -10.495 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.464 2.958 -10.702 1.00 25.00 H new ATOM 1353 N LYS A 681 3.735 3.939 -13.012 1.00 25.00 N ATOM 1354 CA LYS A 681 3.115 4.213 -14.313 1.00 25.00 C ATOM 1355 C LYS A 681 2.566 2.977 -14.995 1.00 25.00 C ATOM 1356 O LYS A 681 2.936 1.859 -14.686 1.00 25.00 O ATOM 1357 CB LYS A 681 4.152 4.821 -15.248 1.00 25.00 C ATOM 1358 CG LYS A 681 4.606 6.202 -14.832 1.00 25.00 C ATOM 1359 CD LYS A 681 4.147 7.261 -15.824 1.00 25.00 C ATOM 1360 CE LYS A 681 5.203 8.326 -15.972 1.00 25.00 C ATOM 1361 NZ LYS A 681 5.347 9.189 -14.751 1.00 25.00 N ATOM 0 H LYS A 681 4.692 3.592 -13.075 1.00 25.00 H new ATOM 0 HA LYS A 681 2.284 4.890 -14.114 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.018 4.161 -15.294 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.736 4.872 -16.254 1.00 25.00 H new ATOM 0 HG2 LYS A 681 4.212 6.433 -13.842 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.693 6.221 -14.754 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.946 6.801 -16.791 1.00 25.00 H new ATOM 0 HD3 LYS A 681 3.213 7.709 -15.483 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.160 7.852 -16.189 1.00 25.00 H new ATOM 0 HE3 LYS A 681 4.958 8.956 -16.827 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 6.245 9.711 -14.799 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 4.557 9.863 -14.707 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 5.339 8.591 -13.900 1.00 25.00 H new ATOM 1375 N SER A 682 1.681 3.205 -15.947 1.00 25.00 N ATOM 1376 CA SER A 682 1.106 2.126 -16.734 1.00 25.00 C ATOM 1377 C SER A 682 1.961 1.911 -17.963 1.00 25.00 C ATOM 1378 O SER A 682 2.764 2.771 -18.331 1.00 25.00 O ATOM 1379 CB SER A 682 -0.309 2.488 -17.188 1.00 25.00 C ATOM 1380 OG SER A 682 -0.280 3.369 -18.302 1.00 25.00 O ATOM 0 H SER A 682 1.342 4.134 -16.197 1.00 25.00 H new ATOM 0 HA SER A 682 1.068 1.225 -16.122 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.853 1.581 -17.452 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.850 2.955 -16.365 1.00 25.00 H new ATOM 0 HG SER A 682 -0.118 2.856 -19.121 1.00 25.00 H new ATOM 1386 N LYS A 683 1.772 0.784 -18.632 1.00 25.00 N ATOM 1387 CA LYS A 683 2.442 0.571 -19.910 1.00 25.00 C ATOM 1388 C LYS A 683 1.795 1.565 -20.862 1.00 25.00 C ATOM 1389 O LYS A 683 0.601 1.839 -20.749 1.00 25.00 O ATOM 1390 CB LYS A 683 2.229 -0.849 -20.433 1.00 25.00 C ATOM 1391 CG LYS A 683 3.216 -1.240 -21.543 1.00 25.00 C ATOM 1392 CD LYS A 683 2.835 -2.548 -22.239 1.00 25.00 C ATOM 1393 CE LYS A 683 3.003 -3.760 -21.322 1.00 25.00 C ATOM 1394 NZ LYS A 683 2.767 -5.039 -22.079 1.00 25.00 N ATOM 0 H LYS A 683 1.175 0.017 -18.322 1.00 25.00 H new ATOM 0 HA LYS A 683 3.519 0.707 -19.813 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.326 -1.552 -19.606 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.211 -0.941 -20.812 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.261 -0.440 -22.282 1.00 25.00 H new ATOM 0 HG3 LYS A 683 4.215 -1.337 -21.118 1.00 25.00 H new ATOM 0 HD2 LYS A 683 1.800 -2.490 -22.576 1.00 25.00 H new ATOM 0 HD3 LYS A 683 3.453 -2.678 -23.127 1.00 25.00 H new ATOM 0 HE2 LYS A 683 4.007 -3.764 -20.897 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.304 -3.691 -20.489 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 2.886 -5.849 -21.438 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.801 -5.041 -22.464 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 3.451 -5.112 -22.859 1.00 25.00 H new ATOM 1408 N ALA A 684 2.563 2.093 -21.794 1.00 25.00 N ATOM 1409 CA ALA A 684 2.029 3.019 -22.775 1.00 25.00 C ATOM 1410 C ALA A 684 1.142 2.296 -23.776 1.00 25.00 C ATOM 1411 O ALA A 684 1.396 1.142 -24.134 1.00 25.00 O ATOM 1412 CB ALA A 684 3.180 3.702 -23.504 1.00 25.00 C ATOM 0 H ALA A 684 3.559 1.897 -21.893 1.00 25.00 H new ATOM 0 HA ALA A 684 1.424 3.765 -22.259 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.781 4.398 -24.242 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.794 4.246 -22.786 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.789 2.951 -24.006 1.00 25.00 H new ATOM 1418 N ALA A 685 0.128 3.004 -24.241 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.723 2.537 -25.319 1.00 25.00 C ATOM 1420 C ALA A 685 -0.596 3.651 -26.344 1.00 25.00 C ATOM 1421 O ALA A 685 -0.452 4.817 -25.963 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.172 2.365 -24.854 1.00 25.00 C ATOM 0 H ALA A 685 -0.129 3.923 -23.879 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.437 1.559 -25.705 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.782 2.014 -25.686 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.210 1.637 -24.044 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.557 3.322 -24.500 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.626 3.303 -27.619 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.481 4.283 -28.680 1.00 25.00 C ATOM 1430 C HIS A 686 -1.360 3.961 -29.867 1.00 25.00 C ATOM 1431 O HIS A 686 -1.638 2.793 -30.137 1.00 25.00 O ATOM 1432 CB HIS A 686 0.974 4.383 -29.123 1.00 25.00 C ATOM 1433 CG HIS A 686 1.532 3.108 -29.677 1.00 25.00 C ATOM 1434 ND1 HIS A 686 2.030 2.082 -28.911 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.685 2.692 -30.965 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.448 1.119 -29.726 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.263 1.437 -30.990 1.00 25.00 N ATOM 0 H HIS A 686 -0.750 2.344 -27.945 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.800 5.244 -28.277 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.060 5.164 -29.879 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.581 4.694 -28.273 1.00 25.00 H new ATOM 0 HD2 HIS A 686 1.397 3.259 -31.838 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.886 0.190 -29.392 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.496 0.878 -31.811 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.803 4.996 -30.564 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.614 4.818 -31.760 1.00 25.00 C ATOM 1447 C PHE A 687 -2.248 5.902 -32.764 1.00 25.00 C ATOM 1448 O PHE A 687 -1.705 6.945 -32.388 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.114 4.806 -31.426 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.743 6.172 -31.310 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.566 6.956 -30.154 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.542 6.672 -32.356 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.199 8.227 -30.038 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.163 7.936 -32.254 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.995 8.712 -31.091 1.00 25.00 C ATOM 0 H PHE A 687 -1.615 5.969 -30.322 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.404 3.846 -32.206 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.640 4.243 -32.197 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.259 4.273 -30.487 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.946 6.591 -29.349 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.682 6.081 -33.249 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.068 8.817 -29.143 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.767 8.308 -33.068 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.475 9.676 -31.008 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.520 5.632 -34.032 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.160 6.521 -35.134 1.00 25.00 C ATOM 1467 C VAL A 688 -3.448 6.823 -35.896 1.00 25.00 C ATOM 1468 O VAL A 688 -4.279 5.927 -36.067 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.110 5.824 -36.060 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.713 6.716 -37.227 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.152 5.451 -35.252 1.00 25.00 C ATOM 0 H VAL A 688 -3.001 4.783 -34.331 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.709 7.444 -34.771 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.574 4.922 -36.458 1.00 25.00 H new ATOM 0 HG11 VAL A 688 0.018 6.198 -37.848 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.595 6.950 -37.823 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.277 7.640 -36.847 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.875 4.967 -35.909 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.594 6.354 -34.830 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.120 4.769 -34.446 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.633 8.062 -36.334 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.870 8.456 -37.011 1.00 25.00 C ATOM 1483 C PHE A 689 -4.670 9.620 -37.991 1.00 25.00 C ATOM 1484 O PHE A 689 -3.720 10.385 -37.870 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.895 8.858 -35.937 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.268 9.157 -36.478 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.657 10.484 -36.746 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.180 8.118 -36.722 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.940 10.777 -37.248 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.469 8.397 -37.237 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.846 9.735 -37.500 1.00 25.00 C ATOM 0 H PHE A 689 -2.948 8.811 -36.235 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.219 7.608 -37.601 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -5.972 8.054 -35.205 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.525 9.737 -35.408 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.961 11.289 -36.564 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -7.896 7.097 -36.515 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.226 11.801 -37.439 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.162 7.591 -37.428 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.828 9.954 -37.893 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.592 9.741 -38.945 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.681 10.870 -39.887 1.00 25.00 C ATOM 1503 C ARG A 690 -7.116 10.849 -40.374 1.00 25.00 C ATOM 1504 O ARG A 690 -7.750 9.797 -40.330 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.749 10.754 -41.112 1.00 25.00 C ATOM 1506 CG ARG A 690 -3.971 9.461 -41.289 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.795 8.331 -41.868 1.00 25.00 C ATOM 1508 NE ARG A 690 -3.965 7.122 -41.892 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.292 5.956 -42.421 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -5.441 5.747 -43.018 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.425 4.988 -42.350 1.00 25.00 N ATOM 0 H ARG A 690 -6.319 9.041 -39.093 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.379 11.785 -39.378 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.351 10.908 -42.007 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.031 11.573 -41.066 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.117 9.647 -41.940 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.573 9.151 -40.323 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.689 8.166 -41.267 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.130 8.582 -42.875 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.045 7.188 -41.457 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -6.124 6.501 -43.088 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -5.651 4.830 -43.412 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -2.525 5.142 -41.896 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -3.646 4.075 -42.748 1.00 25.00 H new ATOM 1525 N THR A 691 -7.626 11.974 -40.846 1.00 25.00 N ATOM 1526 CA THR A 691 -8.984 12.045 -41.389 1.00 25.00 C ATOM 1527 C THR A 691 -8.889 12.828 -42.696 1.00 25.00 C ATOM 1528 O THR A 691 -7.797 13.235 -43.082 1.00 25.00 O ATOM 1529 CB THR A 691 -9.993 12.675 -40.375 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.325 12.558 -40.885 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.707 14.139 -40.102 1.00 25.00 C ATOM 0 H THR A 691 -7.121 12.860 -40.867 1.00 25.00 H new ATOM 0 HA THR A 691 -9.380 11.047 -41.577 1.00 25.00 H new ATOM 0 HB THR A 691 -9.883 12.129 -39.438 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.956 12.952 -40.247 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.437 14.526 -39.392 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.705 14.242 -39.685 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.773 14.702 -41.033 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.014 13.006 -43.383 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.080 13.696 -44.689 1.00 25.00 C ATOM 1541 C HIS A 692 -9.243 12.987 -45.777 1.00 25.00 C ATOM 1542 O HIS A 692 -9.098 13.474 -46.894 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.677 15.174 -44.535 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.121 16.045 -45.669 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.433 16.296 -45.991 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -9.395 16.747 -46.584 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -11.455 17.111 -47.040 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -10.241 17.424 -47.440 1.00 25.00 N ATOM 0 H HIS A 692 -10.921 12.675 -43.054 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.115 13.654 -45.029 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -10.098 15.560 -43.607 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.593 15.237 -44.444 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -8.316 16.770 -46.633 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.359 17.473 -47.507 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -9.981 18.035 -48.215 1.00 25.00 H new