USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 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 -80:sc= 1.15 USER MOD Set 1.2: A 659 MET CE :methyl 165:sc= -0.501 (180deg=-1.01) USER MOD Set 2.1: A 638 TYR OH : rot 57:sc= 1.05 USER MOD Set 2.2: A 646 LYS NZ :NH3+ 180:sc= -0.039 (180deg=-0.039) USER MOD Set 2.3: A 662 SER OG : rot -57:sc= 0.00672 USER MOD Set 3.1: A 620 ASN : amide:sc= -0.0132 K(o=1.8,f=-3.2) USER MOD Set 3.2: A 623 LYS NZ :NH3+ 139:sc= 1.85 (180deg=0.714) USER MOD Set 4.1: A 605 LYS NZ :NH3+ 172:sc= 0.747 (180deg=0) USER MOD Set 4.2: A 624 GLN : amide:sc= -0.832 K(o=-0.084,f=-2.3) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 609 GLN : amide:sc= 0.0677 X(o=0.068,f=-0.17) USER MOD Single : A 610 MET CE :methyl 177:sc= 0 (180deg=-0.0142) USER MOD Single : A 615 ASN : amide:sc= 0.396 K(o=0.4,f=-0.58) USER MOD Single : A 618 LYS NZ :NH3+ -168:sc= 0.979 (180deg=0.857) USER MOD Single : A 629 SER OG : rot 100:sc= 0 USER MOD Single : A 633 HIS : no HE2:sc= 0.864 K(o=0.86,f=-3.9!) USER MOD Single : A 634 TYR OH : rot 89:sc= 0.772 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 74:sc= 1.22 USER MOD Single : A 653 SER OG : rot -80:sc= 1.43 USER MOD Single : A 655 SER OG : rot -74:sc= 0.596 USER MOD Single : A 657 HIS : no HE2:sc= 0.12 K(o=0.12,f=-0.56) USER MOD Single : A 661 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.02) USER MOD Single : A 666 ASN : amide:sc= 0.321 K(o=0.32,f=-3.6!) USER MOD Single : A 669 TYR OH : rot 61:sc= 0.544 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.501 K(o=-0.5,f=-11!) USER MOD Single : A 678 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 679 GLN :FLIP amide:sc= -0.0597 F(o=-1.3,f=-0.06) USER MOD Single : A 681 LYS NZ :NH3+ 144:sc= 0.979 (180deg=-0.123) USER MOD Single : A 682 SER OG : rot 81:sc= 1.23 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=-0.016) USER MOD Single : A 691 THR OG1 : rot -102:sc= 0.0934 USER MOD Single : A 692 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.404 -3.685 -3.564 1.00 25.00 N ATOM 52 CA VAL A 598 -0.215 -2.851 -4.581 1.00 25.00 C ATOM 53 C VAL A 598 0.754 -2.820 -5.756 1.00 25.00 C ATOM 54 O VAL A 598 1.968 -2.647 -5.571 1.00 25.00 O ATOM 55 CB VAL A 598 -0.511 -1.406 -4.038 1.00 25.00 C ATOM 56 CG1 VAL A 598 0.580 -0.940 -3.054 1.00 25.00 C ATOM 57 CG2 VAL A 598 -0.643 -0.394 -5.185 1.00 25.00 C ATOM 0 HA VAL A 598 -1.181 -3.256 -4.884 1.00 25.00 H new ATOM 0 HB VAL A 598 -1.461 -1.455 -3.506 1.00 25.00 H new ATOM 0 HG11 VAL A 598 0.344 0.063 -2.698 1.00 25.00 H new ATOM 0 HG12 VAL A 598 0.623 -1.625 -2.207 1.00 25.00 H new ATOM 0 HG13 VAL A 598 1.545 -0.928 -3.560 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -0.848 0.595 -4.776 1.00 25.00 H new ATOM 0 HG22 VAL A 598 0.286 -0.366 -5.754 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.461 -0.692 -5.840 1.00 25.00 H new ATOM 67 N ARG A 599 0.210 -3.001 -6.953 1.00 25.00 N ATOM 68 CA ARG A 599 0.989 -2.992 -8.190 1.00 25.00 C ATOM 69 C ARG A 599 0.656 -1.760 -9.024 1.00 25.00 C ATOM 70 O ARG A 599 -0.248 -0.987 -8.690 1.00 25.00 O ATOM 71 CB ARG A 599 0.714 -4.264 -9.004 1.00 25.00 C ATOM 72 CG ARG A 599 -0.748 -4.443 -9.408 1.00 25.00 C ATOM 73 CD ARG A 599 -0.876 -5.395 -10.592 1.00 25.00 C ATOM 74 NE ARG A 599 -2.286 -5.696 -10.885 1.00 25.00 N ATOM 75 CZ ARG A 599 -3.116 -4.921 -11.577 1.00 25.00 C ATOM 76 NH1 ARG A 599 -2.757 -3.777 -12.102 1.00 25.00 N ATOM 77 NH2 ARG A 599 -4.348 -5.309 -11.735 1.00 25.00 N ATOM 0 H ARG A 599 -0.787 -3.159 -7.096 1.00 25.00 H new ATOM 0 HA ARG A 599 2.046 -2.962 -7.927 1.00 25.00 H new ATOM 0 HB2 ARG A 599 1.329 -4.246 -9.904 1.00 25.00 H new ATOM 0 HB3 ARG A 599 1.027 -5.130 -8.421 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -1.318 -4.830 -8.563 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.178 -3.476 -9.667 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -0.406 -4.952 -11.470 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -0.341 -6.320 -10.377 1.00 25.00 H new ATOM 0 HE ARG A 599 -2.659 -6.575 -10.526 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -1.800 -3.442 -11.989 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -3.434 -3.221 -12.624 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -4.660 -6.192 -11.332 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -5.001 -4.730 -12.262 1.00 25.00 H new ATOM 91 N GLU A 600 1.392 -1.611 -10.108 1.00 25.00 N ATOM 92 CA GLU A 600 1.245 -0.497 -11.038 1.00 25.00 C ATOM 93 C GLU A 600 -0.070 -0.602 -11.832 1.00 25.00 C ATOM 94 O GLU A 600 -0.660 -1.693 -11.921 1.00 25.00 O ATOM 95 CB GLU A 600 2.447 -0.507 -11.987 1.00 25.00 C ATOM 96 CG GLU A 600 3.766 -0.304 -11.265 1.00 25.00 C ATOM 97 CD GLU A 600 4.895 0.075 -12.213 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.325 1.256 -12.195 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.356 -0.806 -12.966 1.00 25.00 O ATOM 0 H GLU A 600 2.123 -2.270 -10.376 1.00 25.00 H new ATOM 0 HA GLU A 600 1.210 0.440 -10.482 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.473 -1.456 -12.523 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.322 0.277 -12.733 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.649 0.477 -10.513 1.00 25.00 H new ATOM 0 HG3 GLU A 600 4.032 -1.219 -10.736 1.00 25.00 H new ATOM 106 N PRO A 601 -0.559 0.524 -12.399 1.00 25.00 N ATOM 107 CA PRO A 601 -1.824 0.497 -13.143 1.00 25.00 C ATOM 108 C PRO A 601 -1.774 -0.134 -14.539 1.00 25.00 C ATOM 109 O PRO A 601 -0.716 -0.453 -15.081 1.00 25.00 O ATOM 110 CB PRO A 601 -2.196 1.978 -13.227 1.00 25.00 C ATOM 111 CG PRO A 601 -0.927 2.687 -13.213 1.00 25.00 C ATOM 112 CD PRO A 601 0.013 1.886 -12.371 1.00 25.00 C ATOM 0 HA PRO A 601 -2.546 -0.141 -12.634 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.758 2.193 -14.136 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.823 2.275 -12.387 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.537 2.800 -14.225 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.050 3.690 -12.805 1.00 25.00 H new ATOM 0 HD2 PRO A 601 1.025 1.903 -12.775 1.00 25.00 H new ATOM 0 HD3 PRO A 601 0.069 2.275 -11.354 1.00 25.00 H new ATOM 120 N SER A 602 -2.958 -0.315 -15.101 1.00 25.00 N ATOM 121 CA SER A 602 -3.155 -0.958 -16.390 1.00 25.00 C ATOM 122 C SER A 602 -3.020 0.045 -17.523 1.00 25.00 C ATOM 123 O SER A 602 -3.210 1.238 -17.329 1.00 25.00 O ATOM 124 CB SER A 602 -4.557 -1.565 -16.435 1.00 25.00 C ATOM 125 OG SER A 602 -4.740 -2.469 -15.356 1.00 25.00 O ATOM 0 H SER A 602 -3.828 -0.012 -14.664 1.00 25.00 H new ATOM 0 HA SER A 602 -2.396 -1.731 -16.512 1.00 25.00 H new ATOM 0 HB2 SER A 602 -5.305 -0.773 -16.385 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.705 -2.084 -17.382 1.00 25.00 H new ATOM 0 HG SER A 602 -5.643 -2.849 -15.397 1.00 25.00 H new ATOM 131 N ALA A 603 -2.680 -0.441 -18.709 1.00 25.00 N ATOM 132 CA ALA A 603 -2.563 0.432 -19.870 1.00 25.00 C ATOM 133 C ALA A 603 -3.942 1.075 -20.141 1.00 25.00 C ATOM 134 O ALA A 603 -4.983 0.433 -19.930 1.00 25.00 O ATOM 135 CB ALA A 603 -2.085 -0.376 -21.093 1.00 25.00 C ATOM 0 H ALA A 603 -2.482 -1.425 -18.892 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.829 1.215 -19.680 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -2.001 0.285 -21.956 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.112 -0.819 -20.879 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.804 -1.166 -21.310 1.00 25.00 H new ATOM 141 N PRO A 604 -3.965 2.339 -20.598 1.00 25.00 N ATOM 142 CA PRO A 604 -5.256 2.985 -20.858 1.00 25.00 C ATOM 143 C PRO A 604 -5.991 2.389 -22.058 1.00 25.00 C ATOM 144 O PRO A 604 -5.406 1.700 -22.894 1.00 25.00 O ATOM 145 CB PRO A 604 -4.863 4.443 -21.100 1.00 25.00 C ATOM 146 CG PRO A 604 -3.513 4.355 -21.643 1.00 25.00 C ATOM 147 CD PRO A 604 -2.847 3.253 -20.892 1.00 25.00 C ATOM 0 HA PRO A 604 -5.960 2.853 -20.036 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.544 4.930 -21.798 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.886 5.022 -20.177 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.534 4.143 -22.712 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.977 5.296 -21.515 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -2.073 2.768 -21.487 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.369 3.615 -19.981 1.00 25.00 H new ATOM 155 N LYS A 605 -7.287 2.654 -22.117 1.00 25.00 N ATOM 156 CA LYS A 605 -8.158 2.119 -23.168 1.00 25.00 C ATOM 157 C LYS A 605 -8.059 3.024 -24.392 1.00 25.00 C ATOM 158 O LYS A 605 -7.606 4.153 -24.277 1.00 25.00 O ATOM 159 CB LYS A 605 -9.609 2.052 -22.660 1.00 25.00 C ATOM 160 CG LYS A 605 -9.811 1.062 -21.495 1.00 25.00 C ATOM 161 CD LYS A 605 -9.658 1.722 -20.109 1.00 25.00 C ATOM 162 CE LYS A 605 -8.956 0.781 -19.123 1.00 25.00 C ATOM 163 NZ LYS A 605 -9.799 -0.418 -18.793 1.00 25.00 N ATOM 0 H LYS A 605 -7.770 3.245 -21.441 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.845 1.110 -23.438 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.919 3.046 -22.338 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.261 1.767 -23.485 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.803 0.617 -21.572 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.089 0.250 -21.586 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -9.087 2.646 -20.204 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -10.640 1.993 -19.721 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.008 0.452 -19.548 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -8.723 1.324 -18.207 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -9.239 -1.093 -18.234 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -10.629 -0.118 -18.243 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -10.113 -0.874 -19.673 1.00 25.00 H new ATOM 177 N LEU A 606 -8.477 2.551 -25.555 1.00 25.00 N ATOM 178 CA LEU A 606 -8.407 3.364 -26.767 1.00 25.00 C ATOM 179 C LEU A 606 -9.511 2.960 -27.728 1.00 25.00 C ATOM 180 O LEU A 606 -9.522 1.849 -28.229 1.00 25.00 O ATOM 181 CB LEU A 606 -7.028 3.203 -27.441 1.00 25.00 C ATOM 182 CG LEU A 606 -6.690 4.081 -28.669 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.190 3.480 -29.986 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.226 5.505 -28.511 1.00 25.00 C ATOM 0 H LEU A 606 -8.866 1.618 -25.689 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.541 4.411 -26.496 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.267 3.389 -26.683 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.929 2.161 -27.744 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.602 4.116 -28.714 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.924 4.140 -30.811 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.729 2.504 -30.139 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.273 3.367 -29.946 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.969 6.091 -29.393 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.310 5.475 -28.399 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.782 5.965 -27.628 1.00 25.00 H new ATOM 196 N GLU A 607 -10.428 3.885 -27.989 1.00 25.00 N ATOM 197 CA GLU A 607 -11.544 3.620 -28.905 1.00 25.00 C ATOM 198 C GLU A 607 -11.420 4.425 -30.208 1.00 25.00 C ATOM 199 O GLU A 607 -12.214 4.258 -31.122 1.00 25.00 O ATOM 200 CB GLU A 607 -12.880 3.922 -28.218 1.00 25.00 C ATOM 201 CG GLU A 607 -12.966 3.455 -26.758 1.00 25.00 C ATOM 202 CD GLU A 607 -12.522 2.018 -26.529 1.00 25.00 C ATOM 203 OE1 GLU A 607 -13.056 1.100 -27.176 1.00 25.00 O ATOM 204 OE2 GLU A 607 -11.623 1.822 -25.671 1.00 25.00 O ATOM 0 H GLU A 607 -10.426 4.821 -27.585 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.508 2.563 -29.168 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -13.057 4.997 -28.253 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.681 3.448 -28.785 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.354 4.114 -26.142 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.995 3.563 -26.415 1.00 25.00 H new ATOM 211 N GLY A 608 -10.409 5.289 -30.283 1.00 25.00 N ATOM 212 CA GLY A 608 -10.111 6.025 -31.514 1.00 25.00 C ATOM 213 C GLY A 608 -11.233 6.877 -32.085 1.00 25.00 C ATOM 214 O GLY A 608 -11.414 6.934 -33.298 1.00 25.00 O ATOM 0 H GLY A 608 -9.781 5.498 -29.507 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.254 6.672 -31.326 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.807 5.307 -32.275 1.00 25.00 H new ATOM 218 N GLN A 609 -11.999 7.535 -31.231 1.00 25.00 N ATOM 219 CA GLN A 609 -13.161 8.297 -31.690 1.00 25.00 C ATOM 220 C GLN A 609 -12.737 9.652 -32.230 1.00 25.00 C ATOM 221 O GLN A 609 -12.261 10.495 -31.482 1.00 25.00 O ATOM 222 CB GLN A 609 -14.155 8.469 -30.545 1.00 25.00 C ATOM 223 CG GLN A 609 -14.750 7.138 -30.077 1.00 25.00 C ATOM 224 CD GLN A 609 -15.517 6.436 -31.174 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.491 6.955 -31.689 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.074 5.265 -31.542 1.00 25.00 N ATOM 0 H GLN A 609 -11.844 7.561 -30.223 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.642 7.745 -32.498 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.657 8.955 -29.706 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.960 9.131 -30.864 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.949 6.489 -29.724 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.413 7.316 -29.230 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.255 4.863 -31.086 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.547 4.751 -32.285 1.00 25.00 H new ATOM 235 N MET A 610 -12.902 9.846 -33.532 1.00 25.00 N ATOM 236 CA MET A 610 -12.482 11.079 -34.203 1.00 25.00 C ATOM 237 C MET A 610 -13.171 12.328 -33.654 1.00 25.00 C ATOM 238 O MET A 610 -14.278 12.262 -33.126 1.00 25.00 O ATOM 239 CB MET A 610 -12.729 10.963 -35.708 1.00 25.00 C ATOM 240 CG MET A 610 -14.194 10.963 -36.125 1.00 25.00 C ATOM 241 SD MET A 610 -14.351 10.708 -37.909 1.00 25.00 S ATOM 242 CE MET A 610 -14.126 8.915 -38.051 1.00 25.00 C ATOM 0 H MET A 610 -13.328 9.159 -34.154 1.00 25.00 H new ATOM 0 HA MET A 610 -11.417 11.198 -34.005 1.00 25.00 H new ATOM 0 HB2 MET A 610 -12.225 11.790 -36.208 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.265 10.044 -36.067 1.00 25.00 H new ATOM 0 HG2 MET A 610 -14.729 10.177 -35.592 1.00 25.00 H new ATOM 0 HG3 MET A 610 -14.657 11.910 -35.846 1.00 25.00 H new ATOM 0 HE1 MET A 610 -14.252 8.614 -39.091 1.00 25.00 H new ATOM 0 HE2 MET A 610 -13.125 8.646 -37.714 1.00 25.00 H new ATOM 0 HE3 MET A 610 -14.866 8.405 -37.434 1.00 25.00 H new ATOM 252 N GLY A 611 -12.497 13.463 -33.774 1.00 25.00 N ATOM 253 CA GLY A 611 -13.042 14.714 -33.273 1.00 25.00 C ATOM 254 C GLY A 611 -13.963 15.369 -34.276 1.00 25.00 C ATOM 255 O GLY A 611 -13.587 15.576 -35.425 1.00 25.00 O ATOM 0 H GLY A 611 -11.579 13.542 -34.211 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.587 14.528 -32.347 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -12.226 15.395 -33.031 1.00 25.00 H new ATOM 259 N GLU A 612 -15.164 15.705 -33.834 1.00 25.00 N ATOM 260 CA GLU A 612 -16.170 16.349 -34.681 1.00 25.00 C ATOM 261 C GLU A 612 -15.808 17.818 -34.880 1.00 25.00 C ATOM 262 O GLU A 612 -16.195 18.435 -35.863 1.00 25.00 O ATOM 263 CB GLU A 612 -17.582 16.205 -34.066 1.00 25.00 C ATOM 264 CG GLU A 612 -17.797 16.833 -32.665 1.00 25.00 C ATOM 265 CD GLU A 612 -17.174 16.007 -31.542 1.00 25.00 C ATOM 266 OE1 GLU A 612 -15.973 16.203 -31.252 1.00 25.00 O ATOM 267 OE2 GLU A 612 -17.865 15.145 -30.954 1.00 25.00 O ATOM 0 H GLU A 612 -15.475 15.541 -32.877 1.00 25.00 H new ATOM 0 HA GLU A 612 -16.183 15.855 -35.653 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -18.300 16.652 -34.753 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.819 15.143 -34.003 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -17.369 17.835 -32.652 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.866 16.940 -32.480 1.00 25.00 H new ATOM 274 N ASP A 613 -15.035 18.358 -33.947 1.00 25.00 N ATOM 275 CA ASP A 613 -14.543 19.737 -34.040 1.00 25.00 C ATOM 276 C ASP A 613 -13.505 19.856 -35.153 1.00 25.00 C ATOM 277 O ASP A 613 -13.210 20.947 -35.640 1.00 25.00 O ATOM 278 CB ASP A 613 -13.828 20.134 -32.743 1.00 25.00 C ATOM 279 CG ASP A 613 -14.766 20.313 -31.573 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.437 19.775 -30.491 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.790 21.000 -31.698 1.00 25.00 O ATOM 0 H ASP A 613 -14.730 17.862 -33.109 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.404 20.377 -34.231 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.091 19.371 -32.495 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.282 21.063 -32.907 1.00 25.00 H new ATOM 286 N GLY A 614 -12.923 18.722 -35.519 1.00 25.00 N ATOM 287 CA GLY A 614 -11.808 18.713 -36.449 1.00 25.00 C ATOM 288 C GLY A 614 -10.557 19.124 -35.691 1.00 25.00 C ATOM 289 O GLY A 614 -10.656 19.647 -34.576 1.00 25.00 O ATOM 0 H GLY A 614 -13.205 17.800 -35.186 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.682 17.721 -36.882 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -11.996 19.400 -37.275 1.00 25.00 H new ATOM 293 N ASN A 615 -9.379 18.882 -36.267 1.00 25.00 N ATOM 294 CA ASN A 615 -8.097 19.259 -35.638 1.00 25.00 C ATOM 295 C ASN A 615 -8.002 18.688 -34.199 1.00 25.00 C ATOM 296 O ASN A 615 -7.350 19.271 -33.315 1.00 25.00 O ATOM 297 CB ASN A 615 -7.989 20.801 -35.654 1.00 25.00 C ATOM 298 CG ASN A 615 -6.572 21.297 -35.790 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.177 21.788 -36.828 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.814 21.185 -34.749 1.00 25.00 N ATOM 0 H ASN A 615 -9.278 18.424 -37.173 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.262 18.835 -36.195 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.584 21.192 -36.479 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.419 21.198 -34.735 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.849 21.515 -34.783 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.181 20.767 -33.894 1.00 25.00 H new ATOM 307 N SER A 616 -8.689 17.570 -33.968 1.00 25.00 N ATOM 308 CA SER A 616 -8.828 16.988 -32.636 1.00 25.00 C ATOM 309 C SER A 616 -9.268 15.519 -32.660 1.00 25.00 C ATOM 310 O SER A 616 -9.699 15.018 -33.703 1.00 25.00 O ATOM 311 CB SER A 616 -9.897 17.782 -31.899 1.00 25.00 C ATOM 312 OG SER A 616 -11.118 17.752 -32.613 1.00 25.00 O ATOM 0 H SER A 616 -9.165 17.043 -34.700 1.00 25.00 H new ATOM 0 HA SER A 616 -7.852 17.029 -32.152 1.00 25.00 H new ATOM 0 HB2 SER A 616 -10.042 17.368 -30.901 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.569 18.814 -31.772 1.00 25.00 H new ATOM 0 HG SER A 616 -11.087 18.407 -33.341 1.00 25.00 H new ATOM 318 N ILE A 617 -9.168 14.840 -31.516 1.00 25.00 N ATOM 319 CA ILE A 617 -9.615 13.441 -31.377 1.00 25.00 C ATOM 320 C ILE A 617 -9.848 13.063 -29.909 1.00 25.00 C ATOM 321 O ILE A 617 -9.224 13.637 -29.022 1.00 25.00 O ATOM 322 CB ILE A 617 -8.569 12.475 -31.997 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.173 11.073 -32.162 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.259 12.419 -31.162 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.647 10.286 -33.327 1.00 25.00 C ATOM 0 H ILE A 617 -8.778 15.236 -30.661 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.562 13.349 -31.909 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.303 12.863 -32.980 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -8.991 10.506 -31.249 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.254 11.170 -32.267 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.557 11.731 -31.633 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.816 13.414 -31.113 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.485 12.073 -30.153 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.135 9.312 -33.358 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.853 10.824 -34.252 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.571 10.150 -33.218 1.00 25.00 H new ATOM 337 N LYS A 618 -10.727 12.095 -29.656 1.00 25.00 N ATOM 338 CA LYS A 618 -11.000 11.614 -28.299 1.00 25.00 C ATOM 339 C LYS A 618 -10.373 10.233 -28.145 1.00 25.00 C ATOM 340 O LYS A 618 -10.650 9.319 -28.925 1.00 25.00 O ATOM 341 CB LYS A 618 -12.508 11.483 -28.017 1.00 25.00 C ATOM 342 CG LYS A 618 -13.383 12.688 -28.376 1.00 25.00 C ATOM 343 CD LYS A 618 -13.916 12.563 -29.808 1.00 25.00 C ATOM 344 CE LYS A 618 -15.029 13.534 -30.135 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.290 13.399 -29.345 1.00 25.00 N ATOM 0 H LYS A 618 -11.268 11.623 -30.380 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.583 12.337 -27.598 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.882 10.617 -28.562 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.638 11.272 -26.956 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.217 12.759 -27.677 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.804 13.606 -28.277 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.094 12.720 -30.506 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.277 11.546 -29.963 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -14.649 14.546 -29.999 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.276 13.426 -31.191 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -17.039 13.969 -29.787 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -16.582 12.401 -29.324 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -16.128 13.733 -28.373 1.00 25.00 H new ATOM 359 N VAL A 619 -9.545 10.075 -27.133 1.00 25.00 N ATOM 360 CA VAL A 619 -8.916 8.791 -26.832 1.00 25.00 C ATOM 361 C VAL A 619 -9.439 8.477 -25.438 1.00 25.00 C ATOM 362 O VAL A 619 -9.614 9.380 -24.626 1.00 25.00 O ATOM 363 CB VAL A 619 -7.343 8.854 -26.956 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.858 10.295 -27.215 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.636 8.254 -25.731 1.00 25.00 C ATOM 0 H VAL A 619 -9.285 10.826 -26.494 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.163 7.997 -27.536 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.074 8.242 -27.817 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.771 10.304 -27.295 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.294 10.664 -28.143 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.166 10.937 -26.389 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.556 8.321 -25.865 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.926 8.806 -24.837 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.924 7.208 -25.621 1.00 25.00 H new ATOM 375 N ASN A 620 -9.737 7.218 -25.162 1.00 25.00 N ATOM 376 CA ASN A 620 -10.341 6.869 -23.884 1.00 25.00 C ATOM 377 C ASN A 620 -9.309 6.795 -22.782 1.00 25.00 C ATOM 378 O ASN A 620 -8.126 6.626 -23.027 1.00 25.00 O ATOM 379 CB ASN A 620 -11.097 5.551 -23.977 1.00 25.00 C ATOM 380 CG ASN A 620 -12.576 5.761 -24.104 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.339 5.371 -23.241 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.988 6.394 -25.173 1.00 25.00 N ATOM 0 H ASN A 620 -9.575 6.432 -25.792 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.047 7.662 -23.638 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.736 4.985 -24.836 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.891 4.951 -23.091 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.983 6.577 -25.306 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.314 6.704 -25.873 1.00 25.00 H new ATOM 389 N LEU A 621 -9.778 6.950 -21.561 1.00 25.00 N ATOM 390 CA LEU A 621 -8.922 6.889 -20.401 1.00 25.00 C ATOM 391 C LEU A 621 -9.460 5.852 -19.423 1.00 25.00 C ATOM 392 O LEU A 621 -10.473 5.192 -19.682 1.00 25.00 O ATOM 393 CB LEU A 621 -8.823 8.290 -19.799 1.00 25.00 C ATOM 394 CG LEU A 621 -7.454 8.820 -19.367 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.312 8.475 -20.320 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.588 10.331 -19.267 1.00 25.00 C ATOM 0 H LEU A 621 -10.761 7.121 -21.348 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.914 6.571 -20.666 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.231 8.990 -20.528 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.477 8.320 -18.927 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.190 8.346 -18.422 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.380 8.890 -19.936 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.221 7.392 -20.402 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.519 8.897 -21.304 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.635 10.761 -18.961 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.874 10.736 -20.238 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.352 10.581 -18.531 1.00 25.00 H new ATOM 408 N ILE A 622 -8.769 5.706 -18.311 1.00 25.00 N ATOM 409 CA ILE A 622 -9.135 4.756 -17.271 1.00 25.00 C ATOM 410 C ILE A 622 -10.335 5.304 -16.491 1.00 25.00 C ATOM 411 O ILE A 622 -10.309 6.410 -15.973 1.00 25.00 O ATOM 412 CB ILE A 622 -7.889 4.517 -16.386 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.954 3.539 -17.111 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.223 4.015 -14.990 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.541 4.016 -17.201 1.00 25.00 C ATOM 0 H ILE A 622 -7.930 6.246 -18.098 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.443 3.795 -17.683 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.397 5.478 -16.237 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.972 2.580 -16.593 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.334 3.365 -18.117 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.302 3.869 -14.426 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.849 4.747 -14.480 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.758 3.068 -15.062 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -4.939 3.274 -17.726 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.510 4.960 -17.746 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.142 4.163 -16.197 1.00 25.00 H new ATOM 427 N LYS A 623 -11.400 4.509 -16.441 1.00 25.00 N ATOM 428 CA LYS A 623 -12.647 4.903 -15.775 1.00 25.00 C ATOM 429 C LYS A 623 -13.075 3.947 -14.659 1.00 25.00 C ATOM 430 O LYS A 623 -14.204 3.982 -14.192 1.00 25.00 O ATOM 431 CB LYS A 623 -13.771 5.081 -16.819 1.00 25.00 C ATOM 432 CG LYS A 623 -14.232 3.791 -17.550 1.00 25.00 C ATOM 433 CD LYS A 623 -13.408 3.433 -18.799 1.00 25.00 C ATOM 434 CE LYS A 623 -14.020 4.021 -20.069 1.00 25.00 C ATOM 435 NZ LYS A 623 -13.607 5.437 -20.323 1.00 25.00 N ATOM 0 H LYS A 623 -11.428 3.578 -16.857 1.00 25.00 H new ATOM 0 HA LYS A 623 -12.454 5.857 -15.284 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.635 5.521 -16.322 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.434 5.798 -17.567 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.187 2.957 -16.850 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -15.276 3.907 -17.841 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -12.390 3.803 -18.681 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -13.344 2.349 -18.894 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -13.731 3.407 -20.922 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.107 3.974 -19.996 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -13.417 5.567 -21.337 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -14.370 6.079 -20.029 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -12.747 5.650 -19.779 1.00 25.00 H new ATOM 449 N GLN A 624 -12.160 3.084 -14.253 1.00 25.00 N ATOM 450 CA GLN A 624 -12.422 2.067 -13.237 1.00 25.00 C ATOM 451 C GLN A 624 -11.094 1.845 -12.519 1.00 25.00 C ATOM 452 O GLN A 624 -10.085 2.393 -12.951 1.00 25.00 O ATOM 453 CB GLN A 624 -12.945 0.770 -13.897 1.00 25.00 C ATOM 454 CG GLN A 624 -11.910 -0.073 -14.682 1.00 25.00 C ATOM 455 CD GLN A 624 -11.314 0.630 -15.893 1.00 25.00 C ATOM 456 OE1 GLN A 624 -11.872 0.624 -16.984 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.175 1.223 -15.711 1.00 25.00 N ATOM 0 H GLN A 624 -11.208 3.065 -14.618 1.00 25.00 H new ATOM 0 HA GLN A 624 -13.192 2.379 -12.532 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -13.377 0.141 -13.118 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.754 1.036 -14.577 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -11.102 -0.355 -14.007 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.387 -0.996 -15.011 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.735 1.211 -14.791 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -9.719 1.702 -16.488 1.00 25.00 H new ATOM 466 N ASP A 625 -11.064 1.059 -11.455 1.00 25.00 N ATOM 467 CA ASP A 625 -9.806 0.802 -10.759 1.00 25.00 C ATOM 468 C ASP A 625 -8.937 -0.119 -11.615 1.00 25.00 C ATOM 469 O ASP A 625 -9.434 -1.000 -12.308 1.00 25.00 O ATOM 470 CB ASP A 625 -10.051 0.169 -9.385 1.00 25.00 C ATOM 471 CG ASP A 625 -10.727 -1.188 -9.478 1.00 25.00 C ATOM 472 OD1 ASP A 625 -11.907 -1.236 -9.898 1.00 25.00 O ATOM 473 OD2 ASP A 625 -10.086 -2.197 -9.121 1.00 25.00 O ATOM 0 H ASP A 625 -11.879 0.593 -11.057 1.00 25.00 H new ATOM 0 HA ASP A 625 -9.294 1.751 -10.601 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -9.100 0.062 -8.864 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -10.669 0.838 -8.786 1.00 25.00 H new ATOM 478 N ASP A 626 -7.631 0.102 -11.578 1.00 25.00 N ATOM 479 CA ASP A 626 -6.704 -0.694 -12.387 1.00 25.00 C ATOM 480 C ASP A 626 -5.922 -1.693 -11.581 1.00 25.00 C ATOM 481 O ASP A 626 -5.431 -2.687 -12.114 1.00 25.00 O ATOM 482 CB ASP A 626 -5.651 0.201 -13.012 1.00 25.00 C ATOM 483 CG ASP A 626 -6.107 0.845 -14.301 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.305 1.627 -14.827 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.215 0.568 -14.807 1.00 25.00 O ATOM 0 H ASP A 626 -7.187 0.818 -11.003 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.333 -1.201 -13.118 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.377 0.980 -12.301 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -4.752 -0.385 -13.204 1.00 25.00 H new ATOM 490 N GLY A 627 -5.762 -1.412 -10.300 1.00 25.00 N ATOM 491 CA GLY A 627 -4.932 -2.240 -9.456 1.00 25.00 C ATOM 492 C GLY A 627 -5.121 -1.913 -7.996 1.00 25.00 C ATOM 493 O GLY A 627 -6.223 -1.721 -7.524 1.00 25.00 O ATOM 0 H GLY A 627 -6.196 -0.619 -9.827 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.171 -3.290 -9.628 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.885 -2.103 -9.727 1.00 25.00 H new ATOM 497 N GLY A 628 -4.014 -1.853 -7.280 1.00 25.00 N ATOM 498 CA GLY A 628 -4.062 -1.681 -5.832 1.00 25.00 C ATOM 499 C GLY A 628 -4.055 -0.243 -5.350 1.00 25.00 C ATOM 500 O GLY A 628 -3.929 0.017 -4.161 1.00 25.00 O ATOM 0 H GLY A 628 -3.074 -1.920 -7.670 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.960 -2.169 -5.454 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.209 -2.198 -5.393 1.00 25.00 H new ATOM 504 N SER A 629 -4.174 0.698 -6.273 1.00 25.00 N ATOM 505 CA SER A 629 -4.184 2.116 -5.935 1.00 25.00 C ATOM 506 C SER A 629 -4.922 2.838 -7.049 1.00 25.00 C ATOM 507 O SER A 629 -4.731 2.501 -8.229 1.00 25.00 O ATOM 508 CB SER A 629 -2.751 2.654 -5.828 1.00 25.00 C ATOM 509 OG SER A 629 -2.723 4.062 -5.673 1.00 25.00 O ATOM 0 H SER A 629 -4.266 0.505 -7.270 1.00 25.00 H new ATOM 0 HA SER A 629 -4.672 2.274 -4.973 1.00 25.00 H new ATOM 0 HB2 SER A 629 -2.250 2.186 -4.980 1.00 25.00 H new ATOM 0 HB3 SER A 629 -2.192 2.376 -6.722 1.00 25.00 H new ATOM 0 HG SER A 629 -2.588 4.284 -4.728 1.00 25.00 H new ATOM 515 N PRO A 630 -5.771 3.825 -6.707 1.00 25.00 N ATOM 516 CA PRO A 630 -6.431 4.551 -7.793 1.00 25.00 C ATOM 517 C PRO A 630 -5.440 5.437 -8.529 1.00 25.00 C ATOM 518 O PRO A 630 -4.394 5.810 -7.984 1.00 25.00 O ATOM 519 CB PRO A 630 -7.483 5.385 -7.059 1.00 25.00 C ATOM 520 CG PRO A 630 -6.875 5.644 -5.736 1.00 25.00 C ATOM 521 CD PRO A 630 -6.173 4.356 -5.388 1.00 25.00 C ATOM 0 HA PRO A 630 -6.860 3.899 -8.554 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.697 6.313 -7.589 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.426 4.846 -6.966 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.176 6.479 -5.777 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.632 5.897 -4.994 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.311 4.528 -4.743 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -6.833 3.667 -4.861 1.00 25.00 H new ATOM 529 N ILE A 631 -5.762 5.764 -9.768 1.00 25.00 N ATOM 530 CA ILE A 631 -4.897 6.600 -10.588 1.00 25.00 C ATOM 531 C ILE A 631 -4.785 7.960 -9.911 1.00 25.00 C ATOM 532 O ILE A 631 -5.753 8.473 -9.359 1.00 25.00 O ATOM 533 CB ILE A 631 -5.460 6.730 -12.047 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.876 5.625 -12.953 1.00 25.00 C ATOM 535 CG2 ILE A 631 -5.102 8.088 -12.678 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.189 4.201 -12.539 1.00 25.00 C ATOM 0 H ILE A 631 -6.619 5.463 -10.232 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.909 6.149 -10.676 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.543 6.637 -11.972 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.246 5.779 -13.967 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.793 5.744 -12.988 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.510 8.139 -13.688 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.524 8.892 -12.075 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -4.018 8.196 -12.719 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.730 3.508 -13.244 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.793 4.017 -11.540 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.269 4.052 -12.534 1.00 25.00 H new ATOM 548 N ARG A 632 -3.596 8.540 -9.960 1.00 25.00 N ATOM 549 CA ARG A 632 -3.367 9.872 -9.428 1.00 25.00 C ATOM 550 C ARG A 632 -3.500 10.873 -10.577 1.00 25.00 C ATOM 551 O ARG A 632 -4.256 11.836 -10.464 1.00 25.00 O ATOM 552 CB ARG A 632 -1.981 9.973 -8.783 1.00 25.00 C ATOM 553 CG ARG A 632 -1.959 9.637 -7.271 1.00 25.00 C ATOM 554 CD ARG A 632 -0.731 10.255 -6.606 1.00 25.00 C ATOM 555 NE ARG A 632 -0.796 11.727 -6.625 1.00 25.00 N ATOM 556 CZ ARG A 632 0.096 12.545 -6.079 1.00 25.00 C ATOM 557 NH1 ARG A 632 1.149 12.104 -5.436 1.00 25.00 N ATOM 558 NH2 ARG A 632 -0.076 13.832 -6.189 1.00 25.00 N ATOM 0 H ARG A 632 -2.769 8.104 -10.367 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.102 10.091 -8.653 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.300 9.299 -9.304 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.599 10.984 -8.925 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -2.865 10.012 -6.795 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.950 8.556 -7.132 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -0.658 9.905 -5.576 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.170 9.922 -7.121 1.00 25.00 H new ATOM 0 HE ARG A 632 -1.593 12.153 -7.097 1.00 25.00 H new ATOM 0 HH11 ARG A 632 1.306 11.101 -5.341 1.00 25.00 H new ATOM 0 HH12 ARG A 632 1.812 12.764 -5.030 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -0.887 14.197 -6.689 1.00 25.00 H new ATOM 0 HH22 ARG A 632 0.600 14.474 -5.775 1.00 25.00 H new ATOM 572 N HIS A 633 -2.783 10.645 -11.673 1.00 25.00 N ATOM 573 CA HIS A 633 -2.800 11.563 -12.825 1.00 25.00 C ATOM 574 C HIS A 633 -2.699 10.805 -14.157 1.00 25.00 C ATOM 575 O HIS A 633 -2.350 9.621 -14.180 1.00 25.00 O ATOM 576 CB HIS A 633 -1.598 12.526 -12.761 1.00 25.00 C ATOM 577 CG HIS A 633 -1.317 13.077 -11.394 1.00 25.00 C ATOM 578 ND1 HIS A 633 -0.166 12.831 -10.692 1.00 25.00 N ATOM 579 CD2 HIS A 633 -2.053 13.893 -10.587 1.00 25.00 C ATOM 580 CE1 HIS A 633 -0.232 13.473 -9.538 1.00 25.00 C ATOM 581 NE2 HIS A 633 -1.367 14.130 -9.407 1.00 25.00 N ATOM 0 H HIS A 633 -2.179 9.832 -11.795 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.744 12.105 -12.777 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.710 12.004 -13.118 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.776 13.356 -13.444 1.00 25.00 H new ATOM 0 HD1 HIS A 633 0.611 12.250 -11.007 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -3.025 14.295 -10.831 1.00 25.00 H new ATOM 0 HE1 HIS A 633 0.550 13.461 -8.793 1.00 25.00 H new ATOM 589 N TYR A 634 -2.973 11.503 -15.254 1.00 25.00 N ATOM 590 CA TYR A 634 -2.791 10.963 -16.607 1.00 25.00 C ATOM 591 C TYR A 634 -1.821 11.851 -17.351 1.00 25.00 C ATOM 592 O TYR A 634 -1.822 13.072 -17.161 1.00 25.00 O ATOM 593 CB TYR A 634 -4.099 10.941 -17.379 1.00 25.00 C ATOM 594 CG TYR A 634 -5.122 10.049 -16.758 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.256 10.589 -16.135 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.969 8.655 -16.796 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.231 9.754 -15.556 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.932 7.812 -16.199 1.00 25.00 C ATOM 599 CZ TYR A 634 -7.058 8.375 -15.579 1.00 25.00 C ATOM 600 OH TYR A 634 -7.979 7.562 -14.989 1.00 25.00 O ATOM 0 H TYR A 634 -3.328 12.459 -15.236 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.419 9.942 -16.521 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.496 11.954 -17.441 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.908 10.611 -18.400 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.384 11.661 -16.099 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -4.108 8.223 -17.285 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -8.109 10.183 -15.096 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.803 6.740 -16.219 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.674 7.330 -15.639 1.00 25.00 H new ATOM 610 N LEU A 635 -0.993 11.235 -18.182 1.00 25.00 N ATOM 611 CA LEU A 635 0.031 11.942 -18.938 1.00 25.00 C ATOM 612 C LEU A 635 -0.090 11.530 -20.415 1.00 25.00 C ATOM 613 O LEU A 635 -0.126 10.333 -20.718 1.00 25.00 O ATOM 614 CB LEU A 635 1.421 11.602 -18.362 1.00 25.00 C ATOM 615 CG LEU A 635 1.524 11.572 -16.814 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.372 10.132 -16.262 1.00 25.00 C ATOM 617 CD2 LEU A 635 2.841 12.132 -16.330 1.00 25.00 C ATOM 0 H LEU A 635 -1.012 10.229 -18.351 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.101 13.021 -18.863 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.724 10.628 -18.746 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.138 12.331 -18.741 1.00 25.00 H new ATOM 0 HG LEU A 635 0.709 12.194 -16.444 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.449 10.149 -15.175 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.400 9.733 -16.550 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.160 9.500 -16.672 1.00 25.00 H new ATOM 0 HD21 LEU A 635 2.875 12.094 -15.241 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.660 11.541 -16.739 1.00 25.00 H new ATOM 0 HD23 LEU A 635 2.940 13.166 -16.660 1.00 25.00 H new ATOM 629 N VAL A 636 -0.166 12.490 -21.328 1.00 25.00 N ATOM 630 CA VAL A 636 -0.315 12.188 -22.767 1.00 25.00 C ATOM 631 C VAL A 636 0.758 12.897 -23.590 1.00 25.00 C ATOM 632 O VAL A 636 1.134 14.016 -23.267 1.00 25.00 O ATOM 633 CB VAL A 636 -1.715 12.643 -23.304 1.00 25.00 C ATOM 634 CG1 VAL A 636 -1.997 12.044 -24.693 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.832 12.245 -22.323 1.00 25.00 C ATOM 0 H VAL A 636 -0.128 13.486 -21.110 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.214 11.108 -22.871 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.697 13.729 -23.394 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -2.975 12.377 -25.041 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.231 12.375 -25.394 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -1.985 10.956 -24.629 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.795 12.571 -22.716 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.838 11.162 -22.199 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.655 12.720 -21.358 1.00 25.00 H new ATOM 645 N ARG A 637 1.238 12.258 -24.652 1.00 25.00 N ATOM 646 CA ARG A 637 2.248 12.843 -25.539 1.00 25.00 C ATOM 647 C ARG A 637 1.865 12.517 -26.981 1.00 25.00 C ATOM 648 O ARG A 637 1.447 11.403 -27.253 1.00 25.00 O ATOM 649 CB ARG A 637 3.614 12.233 -25.220 1.00 25.00 C ATOM 650 CG ARG A 637 4.762 13.036 -25.766 1.00 25.00 C ATOM 651 CD ARG A 637 6.045 12.243 -25.803 1.00 25.00 C ATOM 652 NE ARG A 637 7.169 13.113 -26.184 1.00 25.00 N ATOM 653 CZ ARG A 637 8.295 12.706 -26.761 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.508 11.453 -27.082 1.00 25.00 N ATOM 655 NH2 ARG A 637 9.225 13.582 -27.022 1.00 25.00 N ATOM 0 H ARG A 637 0.941 11.321 -24.925 1.00 25.00 H new ATOM 0 HA ARG A 637 2.298 13.923 -25.400 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.722 12.145 -24.139 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.658 11.223 -25.628 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.519 13.377 -26.772 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.905 13.926 -25.153 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.235 11.798 -24.826 1.00 25.00 H new ATOM 0 HD3 ARG A 637 5.953 11.422 -26.514 1.00 25.00 H new ATOM 0 HE ARG A 637 7.076 14.110 -25.989 1.00 25.00 H new ATOM 0 HH11 ARG A 637 7.795 10.749 -26.890 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.386 11.182 -27.524 1.00 25.00 H new ATOM 0 HH21 ARG A 637 9.083 14.563 -26.784 1.00 25.00 H new ATOM 0 HH22 ARG A 637 10.095 13.286 -27.465 1.00 25.00 H new ATOM 669 N TYR A 638 1.988 13.463 -27.900 1.00 25.00 N ATOM 670 CA TYR A 638 1.635 13.207 -29.304 1.00 25.00 C ATOM 671 C TYR A 638 2.481 14.034 -30.272 1.00 25.00 C ATOM 672 O TYR A 638 3.057 15.048 -29.876 1.00 25.00 O ATOM 673 CB TYR A 638 0.135 13.463 -29.534 1.00 25.00 C ATOM 674 CG TYR A 638 -0.331 14.887 -29.306 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.675 15.712 -30.396 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.452 15.418 -28.001 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.142 17.036 -30.187 1.00 25.00 C ATOM 678 CE2 TYR A 638 -0.908 16.744 -27.797 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.259 17.534 -28.891 1.00 25.00 C ATOM 680 OH TYR A 638 -1.712 18.809 -28.683 1.00 25.00 O ATOM 0 H TYR A 638 2.325 14.407 -27.711 1.00 25.00 H new ATOM 0 HA TYR A 638 1.850 12.158 -29.509 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.110 13.179 -30.557 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.432 12.805 -28.876 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.582 15.332 -31.403 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.194 14.806 -27.150 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.406 17.656 -31.031 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -0.984 17.142 -26.796 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.597 18.912 -29.091 1.00 25.00 H new ATOM 690 N ARG A 639 2.558 13.581 -31.522 1.00 25.00 N ATOM 691 CA ARG A 639 3.367 14.219 -32.581 1.00 25.00 C ATOM 692 C ARG A 639 2.691 13.931 -33.909 1.00 25.00 C ATOM 693 O ARG A 639 2.027 12.915 -34.036 1.00 25.00 O ATOM 694 CB ARG A 639 4.787 13.626 -32.551 1.00 25.00 C ATOM 695 CG ARG A 639 5.664 13.784 -33.795 1.00 25.00 C ATOM 696 CD ARG A 639 5.636 12.510 -34.634 1.00 25.00 C ATOM 697 NE ARG A 639 5.607 12.798 -36.073 1.00 25.00 N ATOM 698 CZ ARG A 639 5.542 11.891 -37.038 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.497 10.604 -36.801 1.00 25.00 N ATOM 700 NH2 ARG A 639 5.512 12.297 -38.275 1.00 25.00 N ATOM 0 H ARG A 639 2.058 12.751 -31.841 1.00 25.00 H new ATOM 0 HA ARG A 639 3.442 15.296 -32.433 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.317 14.075 -31.711 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.698 12.560 -32.340 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.312 14.626 -34.391 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.689 14.009 -33.499 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.513 11.905 -34.403 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.761 11.918 -34.365 1.00 25.00 H new ATOM 0 HE ARG A 639 5.640 13.778 -36.354 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.511 10.262 -35.840 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.448 9.944 -37.577 1.00 25.00 H new ATOM 0 HH21 ARG A 639 5.539 13.295 -38.485 1.00 25.00 H new ATOM 0 HH22 ARG A 639 5.462 11.617 -39.034 1.00 25.00 H new ATOM 714 N ALA A 640 2.855 14.813 -34.883 1.00 25.00 N ATOM 715 CA ALA A 640 2.238 14.665 -36.196 1.00 25.00 C ATOM 716 C ALA A 640 3.254 14.941 -37.298 1.00 25.00 C ATOM 717 O ALA A 640 4.428 15.174 -37.023 1.00 25.00 O ATOM 718 CB ALA A 640 1.075 15.615 -36.310 1.00 25.00 C ATOM 0 H ALA A 640 3.422 15.656 -34.786 1.00 25.00 H new ATOM 0 HA ALA A 640 1.882 13.641 -36.310 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.612 15.507 -37.291 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.342 15.388 -35.535 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.428 16.639 -36.187 1.00 25.00 H new ATOM 724 N LEU A 641 2.800 14.925 -38.543 1.00 25.00 N ATOM 725 CA LEU A 641 3.677 15.206 -39.677 1.00 25.00 C ATOM 726 C LEU A 641 4.272 16.614 -39.566 1.00 25.00 C ATOM 727 O LEU A 641 5.463 16.801 -39.789 1.00 25.00 O ATOM 728 CB LEU A 641 2.891 15.069 -40.989 1.00 25.00 C ATOM 729 CG LEU A 641 3.705 15.224 -42.286 1.00 25.00 C ATOM 730 CD1 LEU A 641 4.774 14.133 -42.420 1.00 25.00 C ATOM 731 CD2 LEU A 641 2.762 15.167 -43.487 1.00 25.00 C ATOM 0 H LEU A 641 1.833 14.721 -38.796 1.00 25.00 H new ATOM 0 HA LEU A 641 4.495 14.486 -39.671 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.411 14.091 -41.000 1.00 25.00 H new ATOM 0 HB3 LEU A 641 2.096 15.815 -40.992 1.00 25.00 H new ATOM 0 HG LEU A 641 4.214 16.187 -42.251 1.00 25.00 H new ATOM 0 HD11 LEU A 641 5.327 14.277 -43.348 1.00 25.00 H new ATOM 0 HD12 LEU A 641 5.461 14.191 -41.576 1.00 25.00 H new ATOM 0 HD13 LEU A 641 4.295 13.154 -42.431 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.337 15.277 -44.407 1.00 25.00 H new ATOM 0 HD22 LEU A 641 2.242 14.209 -43.496 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.033 15.975 -43.416 1.00 25.00 H new ATOM 743 N SER A 642 3.444 17.587 -39.204 1.00 25.00 N ATOM 744 CA SER A 642 3.897 18.969 -39.018 1.00 25.00 C ATOM 745 C SER A 642 4.008 19.351 -37.536 1.00 25.00 C ATOM 746 O SER A 642 4.869 20.136 -37.149 1.00 25.00 O ATOM 747 CB SER A 642 2.910 19.912 -39.712 1.00 25.00 C ATOM 748 OG SER A 642 3.373 21.250 -39.701 1.00 25.00 O ATOM 0 H SER A 642 2.448 17.447 -39.031 1.00 25.00 H new ATOM 0 HA SER A 642 4.892 19.057 -39.454 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.758 19.587 -40.741 1.00 25.00 H new ATOM 0 HB3 SER A 642 1.942 19.857 -39.214 1.00 25.00 H new ATOM 0 HG SER A 642 2.721 21.825 -40.153 1.00 25.00 H new ATOM 754 N SER A 643 3.146 18.793 -36.695 1.00 25.00 N ATOM 755 CA SER A 643 3.190 19.107 -35.264 1.00 25.00 C ATOM 756 C SER A 643 4.309 18.351 -34.548 1.00 25.00 C ATOM 757 O SER A 643 4.457 17.143 -34.692 1.00 25.00 O ATOM 758 CB SER A 643 1.861 18.780 -34.577 1.00 25.00 C ATOM 759 OG SER A 643 0.795 19.560 -35.098 1.00 25.00 O ATOM 0 H SER A 643 2.419 18.132 -36.968 1.00 25.00 H new ATOM 0 HA SER A 643 3.382 20.178 -35.195 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.635 17.722 -34.707 1.00 25.00 H new ATOM 0 HB3 SER A 643 1.952 18.957 -33.505 1.00 25.00 H new ATOM 0 HG SER A 643 0.554 19.231 -35.989 1.00 25.00 H new ATOM 765 N GLU A 644 5.078 19.081 -33.759 1.00 25.00 N ATOM 766 CA GLU A 644 6.171 18.520 -32.961 1.00 25.00 C ATOM 767 C GLU A 644 5.678 17.535 -31.893 1.00 25.00 C ATOM 768 O GLU A 644 4.479 17.468 -31.599 1.00 25.00 O ATOM 769 CB GLU A 644 6.879 19.674 -32.232 1.00 25.00 C ATOM 770 CG GLU A 644 5.960 20.357 -31.198 1.00 25.00 C ATOM 771 CD GLU A 644 6.609 21.498 -30.446 1.00 25.00 C ATOM 772 OE1 GLU A 644 7.815 21.755 -30.629 1.00 25.00 O ATOM 773 OE2 GLU A 644 5.885 22.138 -29.647 1.00 25.00 O ATOM 0 H GLU A 644 4.966 20.089 -33.648 1.00 25.00 H new ATOM 0 HA GLU A 644 6.832 17.985 -33.642 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.769 19.294 -31.730 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.215 20.411 -32.961 1.00 25.00 H new ATOM 0 HG2 GLU A 644 5.073 20.732 -31.709 1.00 25.00 H new ATOM 0 HG3 GLU A 644 5.622 19.610 -30.480 1.00 25.00 H new ATOM 780 N TRP A 645 6.617 16.812 -31.285 1.00 25.00 N ATOM 781 CA TRP A 645 6.327 16.008 -30.098 1.00 25.00 C ATOM 782 C TRP A 645 5.995 16.973 -28.975 1.00 25.00 C ATOM 783 O TRP A 645 6.890 17.544 -28.353 1.00 25.00 O ATOM 784 CB TRP A 645 7.537 15.170 -29.662 1.00 25.00 C ATOM 785 CG TRP A 645 7.653 13.826 -30.330 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.586 13.430 -31.233 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.800 12.676 -30.134 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.395 12.136 -31.621 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.302 11.634 -30.970 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.646 12.429 -29.362 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.695 10.365 -31.042 1.00 25.00 C ATOM 792 CZ3 TRP A 645 5.030 11.147 -29.431 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.568 10.132 -30.273 1.00 25.00 C ATOM 0 H TRP A 645 7.588 16.766 -31.595 1.00 25.00 H new ATOM 0 HA TRP A 645 5.508 15.326 -30.325 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.445 15.738 -29.863 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.487 15.020 -28.584 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.382 14.062 -31.599 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.974 11.626 -32.288 1.00 25.00 H new ATOM 0 HE3 TRP A 645 5.235 13.201 -28.728 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.099 9.593 -31.681 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 4.149 10.943 -28.841 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.089 9.165 -30.312 1.00 25.00 H new ATOM 804 N LYS A 646 4.711 17.147 -28.709 1.00 25.00 N ATOM 805 CA LYS A 646 4.270 18.026 -27.634 1.00 25.00 C ATOM 806 C LYS A 646 4.811 17.399 -26.353 1.00 25.00 C ATOM 807 O LYS A 646 4.904 16.175 -26.267 1.00 25.00 O ATOM 808 CB LYS A 646 2.741 18.150 -27.635 1.00 25.00 C ATOM 809 CG LYS A 646 2.169 18.651 -28.979 1.00 25.00 C ATOM 810 CD LYS A 646 2.627 20.071 -29.344 1.00 25.00 C ATOM 811 CE LYS A 646 2.267 20.414 -30.791 1.00 25.00 C ATOM 812 NZ LYS A 646 0.787 20.452 -31.038 1.00 25.00 N ATOM 0 H LYS A 646 3.955 16.693 -29.221 1.00 25.00 H new ATOM 0 HA LYS A 646 4.640 19.045 -27.745 1.00 25.00 H new ATOM 0 HB2 LYS A 646 2.305 17.179 -27.402 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.438 18.834 -26.842 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.469 17.965 -29.771 1.00 25.00 H new ATOM 0 HG3 LYS A 646 1.080 18.629 -28.933 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.161 20.790 -28.670 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.705 20.155 -29.205 1.00 25.00 H new ATOM 0 HE2 LYS A 646 2.697 21.383 -31.046 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.721 19.679 -31.456 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 0.607 20.689 -32.035 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 0.375 19.521 -30.824 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 0.351 21.172 -30.427 1.00 25.00 H new ATOM 826 N PRO A 647 5.201 18.219 -25.361 1.00 25.00 N ATOM 827 CA PRO A 647 5.884 17.620 -24.206 1.00 25.00 C ATOM 828 C PRO A 647 5.038 16.663 -23.364 1.00 25.00 C ATOM 829 O PRO A 647 5.346 15.481 -23.293 1.00 25.00 O ATOM 830 CB PRO A 647 6.344 18.844 -23.402 1.00 25.00 C ATOM 831 CG PRO A 647 5.390 19.934 -23.787 1.00 25.00 C ATOM 832 CD PRO A 647 5.105 19.687 -25.241 1.00 25.00 C ATOM 0 HA PRO A 647 6.694 16.967 -24.531 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.310 18.649 -22.330 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.372 19.114 -23.645 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.478 19.892 -23.191 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.829 20.919 -23.630 1.00 25.00 H new ATOM 0 HD2 PRO A 647 4.117 20.050 -25.525 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.827 20.191 -25.884 1.00 25.00 H new ATOM 840 N GLU A 648 3.990 17.167 -22.728 1.00 25.00 N ATOM 841 CA GLU A 648 3.123 16.337 -21.901 1.00 25.00 C ATOM 842 C GLU A 648 1.799 17.064 -21.705 1.00 25.00 C ATOM 843 O GLU A 648 1.781 18.290 -21.579 1.00 25.00 O ATOM 844 CB GLU A 648 3.785 16.096 -20.541 1.00 25.00 C ATOM 845 CG GLU A 648 3.119 15.017 -19.718 1.00 25.00 C ATOM 846 CD GLU A 648 3.903 14.718 -18.457 1.00 25.00 C ATOM 847 OE1 GLU A 648 4.689 13.746 -18.457 1.00 25.00 O ATOM 848 OE2 GLU A 648 3.726 15.450 -17.459 1.00 25.00 O ATOM 0 H GLU A 648 3.718 18.149 -22.769 1.00 25.00 H new ATOM 0 HA GLU A 648 2.953 15.376 -22.386 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.829 15.826 -20.699 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.779 17.027 -19.975 1.00 25.00 H new ATOM 0 HG2 GLU A 648 2.109 15.330 -19.454 1.00 25.00 H new ATOM 0 HG3 GLU A 648 3.026 14.109 -20.314 1.00 25.00 H new ATOM 855 N ILE A 649 0.695 16.325 -21.677 1.00 25.00 N ATOM 856 CA ILE A 649 -0.614 16.905 -21.423 1.00 25.00 C ATOM 857 C ILE A 649 -1.103 16.346 -20.093 1.00 25.00 C ATOM 858 O ILE A 649 -1.224 15.136 -19.917 1.00 25.00 O ATOM 859 CB ILE A 649 -1.642 16.562 -22.545 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.065 16.860 -23.951 1.00 25.00 C ATOM 861 CG2 ILE A 649 -2.969 17.330 -22.324 1.00 25.00 C ATOM 862 CD1 ILE A 649 -0.703 18.343 -24.228 1.00 25.00 C ATOM 0 H ILE A 649 0.684 15.316 -21.829 1.00 25.00 H new ATOM 0 HA ILE A 649 -0.526 17.991 -21.400 1.00 25.00 H new ATOM 0 HB ILE A 649 -1.848 15.493 -22.491 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.170 16.254 -24.092 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -1.790 16.536 -24.698 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -3.672 17.077 -23.117 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.394 17.052 -21.360 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -2.776 18.403 -22.339 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.309 18.438 -25.240 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -1.596 18.960 -24.127 1.00 25.00 H new ATOM 0 HD13 ILE A 649 0.050 18.674 -23.512 1.00 25.00 H new ATOM 874 N ARG A 650 -1.389 17.258 -19.177 1.00 25.00 N ATOM 875 CA ARG A 650 -1.922 16.941 -17.848 1.00 25.00 C ATOM 876 C ARG A 650 -3.312 16.404 -17.961 1.00 25.00 C ATOM 877 O ARG A 650 -4.012 16.888 -18.797 1.00 25.00 O ATOM 878 CB ARG A 650 -2.068 18.241 -17.014 1.00 25.00 C ATOM 879 CG ARG A 650 -3.294 19.160 -17.471 1.00 25.00 C ATOM 880 CD ARG A 650 -3.285 20.527 -16.818 1.00 25.00 C ATOM 881 NE ARG A 650 -4.427 21.334 -17.284 1.00 25.00 N ATOM 882 CZ ARG A 650 -4.660 22.600 -16.955 1.00 25.00 C ATOM 883 NH1 ARG A 650 -3.867 23.273 -16.156 1.00 25.00 N ATOM 884 NH2 ARG A 650 -5.706 23.202 -17.448 1.00 25.00 N ATOM 0 H ARG A 650 -1.257 18.258 -19.332 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.240 16.224 -17.390 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.194 17.977 -15.964 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.145 18.817 -17.089 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.267 19.281 -18.554 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.229 18.655 -17.230 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -3.328 20.418 -15.734 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.352 21.040 -17.050 1.00 25.00 H new ATOM 0 HE ARG A 650 -5.094 20.883 -17.911 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -3.038 22.825 -15.764 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -4.079 24.244 -15.926 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -6.333 22.701 -18.078 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -5.897 24.174 -17.204 1.00 25.00 H new ATOM 898 N LEU A 651 -3.720 15.444 -17.148 1.00 25.00 N ATOM 899 CA LEU A 651 -5.160 15.219 -16.932 1.00 25.00 C ATOM 900 C LEU A 651 -5.417 14.668 -15.518 1.00 25.00 C ATOM 901 O LEU A 651 -4.595 13.915 -14.989 1.00 25.00 O ATOM 902 CB LEU A 651 -5.837 14.408 -18.052 1.00 25.00 C ATOM 903 CG LEU A 651 -6.630 15.212 -19.139 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.029 16.742 -18.799 1.00 25.00 C ATOM 905 CD2 LEU A 651 -5.858 15.197 -20.469 1.00 25.00 C ATOM 0 H LEU A 651 -3.102 14.817 -16.634 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.652 16.190 -16.991 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.068 13.823 -18.558 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.523 13.699 -17.588 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.582 14.683 -19.188 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.573 17.172 -19.640 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.659 16.765 -17.910 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.124 17.322 -18.617 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.415 15.758 -21.219 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -4.879 15.655 -20.327 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -5.732 14.168 -20.805 1.00 25.00 H new ATOM 917 N PRO A 652 -6.544 15.059 -14.879 1.00 25.00 N ATOM 918 CA PRO A 652 -6.794 14.596 -13.508 1.00 25.00 C ATOM 919 C PRO A 652 -7.340 13.180 -13.465 1.00 25.00 C ATOM 920 O PRO A 652 -7.811 12.667 -14.461 1.00 25.00 O ATOM 921 CB PRO A 652 -7.858 15.578 -13.016 1.00 25.00 C ATOM 922 CG PRO A 652 -8.661 15.847 -14.231 1.00 25.00 C ATOM 923 CD PRO A 652 -7.638 15.942 -15.338 1.00 25.00 C ATOM 0 HA PRO A 652 -5.884 14.571 -12.908 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.465 15.148 -12.220 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.411 16.490 -12.619 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.378 15.048 -14.419 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.231 16.771 -14.135 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.048 15.610 -16.292 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.294 16.967 -15.479 1.00 25.00 H new ATOM 931 N SER A 653 -7.299 12.557 -12.298 1.00 25.00 N ATOM 932 CA SER A 653 -7.769 11.184 -12.126 1.00 25.00 C ATOM 933 C SER A 653 -9.214 10.937 -12.557 1.00 25.00 C ATOM 934 O SER A 653 -9.574 9.825 -12.913 1.00 25.00 O ATOM 935 CB SER A 653 -7.644 10.837 -10.654 1.00 25.00 C ATOM 936 OG SER A 653 -6.951 11.884 -9.983 1.00 25.00 O ATOM 0 H SER A 653 -6.941 12.984 -11.444 1.00 25.00 H new ATOM 0 HA SER A 653 -7.154 10.560 -12.774 1.00 25.00 H new ATOM 0 HB2 SER A 653 -8.632 10.700 -10.215 1.00 25.00 H new ATOM 0 HB3 SER A 653 -7.108 9.895 -10.534 1.00 25.00 H new ATOM 0 HG SER A 653 -5.987 11.787 -10.132 1.00 25.00 H new ATOM 942 N GLY A 654 -10.039 11.975 -12.511 1.00 25.00 N ATOM 943 CA GLY A 654 -11.450 11.837 -12.844 1.00 25.00 C ATOM 944 C GLY A 654 -11.822 11.997 -14.310 1.00 25.00 C ATOM 945 O GLY A 654 -13.005 12.006 -14.632 1.00 25.00 O ATOM 0 H GLY A 654 -9.756 12.919 -12.247 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.784 10.853 -12.513 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.010 12.574 -12.268 1.00 25.00 H new ATOM 949 N SER A 655 -10.857 12.134 -15.208 1.00 25.00 N ATOM 950 CA SER A 655 -11.188 12.265 -16.629 1.00 25.00 C ATOM 951 C SER A 655 -11.422 10.878 -17.231 1.00 25.00 C ATOM 952 O SER A 655 -10.524 10.045 -17.256 1.00 25.00 O ATOM 953 CB SER A 655 -10.083 13.001 -17.383 1.00 25.00 C ATOM 954 OG SER A 655 -8.816 12.461 -17.073 1.00 25.00 O ATOM 0 H SER A 655 -9.861 12.158 -14.991 1.00 25.00 H new ATOM 0 HA SER A 655 -12.101 12.854 -16.724 1.00 25.00 H new ATOM 0 HB2 SER A 655 -10.260 12.930 -18.456 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.104 14.060 -17.125 1.00 25.00 H new ATOM 0 HG SER A 655 -8.553 12.741 -16.171 1.00 25.00 H new ATOM 960 N ASP A 656 -12.639 10.647 -17.704 1.00 25.00 N ATOM 961 CA ASP A 656 -13.049 9.357 -18.290 1.00 25.00 C ATOM 962 C ASP A 656 -12.412 9.128 -19.664 1.00 25.00 C ATOM 963 O ASP A 656 -12.140 7.993 -20.068 1.00 25.00 O ATOM 964 CB ASP A 656 -14.575 9.371 -18.437 1.00 25.00 C ATOM 965 CG ASP A 656 -15.079 8.344 -19.426 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.334 7.192 -19.019 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.214 8.689 -20.623 1.00 25.00 O ATOM 0 H ASP A 656 -13.381 11.347 -17.697 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.718 8.551 -17.636 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.031 9.186 -17.464 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.895 10.363 -18.755 1.00 25.00 H new ATOM 972 N HIS A 657 -12.164 10.218 -20.373 1.00 25.00 N ATOM 973 CA HIS A 657 -11.517 10.176 -21.674 1.00 25.00 C ATOM 974 C HIS A 657 -10.765 11.485 -21.804 1.00 25.00 C ATOM 975 O HIS A 657 -10.949 12.392 -20.989 1.00 25.00 O ATOM 976 CB HIS A 657 -12.536 10.007 -22.810 1.00 25.00 C ATOM 977 CG HIS A 657 -13.460 11.168 -22.970 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.680 11.271 -22.355 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.337 12.306 -23.709 1.00 25.00 C ATOM 980 CE1 HIS A 657 -15.231 12.428 -22.718 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.454 13.100 -23.545 1.00 25.00 N ATOM 0 H HIS A 657 -12.406 11.159 -20.061 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.847 9.320 -21.750 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.000 9.850 -23.746 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.125 9.109 -22.626 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -15.094 10.581 -21.728 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.489 12.551 -24.332 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -16.196 12.773 -22.377 1.00 25.00 H new ATOM 989 N VAL A 658 -9.922 11.584 -22.817 1.00 25.00 N ATOM 990 CA VAL A 658 -9.139 12.785 -23.061 1.00 25.00 C ATOM 991 C VAL A 658 -9.333 13.185 -24.513 1.00 25.00 C ATOM 992 O VAL A 658 -9.175 12.367 -25.421 1.00 25.00 O ATOM 993 CB VAL A 658 -7.613 12.554 -22.738 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.167 11.125 -23.094 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.726 13.561 -23.480 1.00 25.00 C ATOM 0 H VAL A 658 -9.760 10.837 -23.492 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.479 13.585 -22.403 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.497 12.700 -21.664 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.110 11.004 -22.857 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.752 10.407 -22.519 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.323 10.950 -24.158 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.680 13.374 -23.235 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.872 13.452 -24.555 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -6.994 14.574 -23.178 1.00 25.00 H new ATOM 1005 N MET A 659 -9.665 14.446 -24.740 1.00 25.00 N ATOM 1006 CA MET A 659 -9.772 14.958 -26.095 1.00 25.00 C ATOM 1007 C MET A 659 -8.556 15.823 -26.371 1.00 25.00 C ATOM 1008 O MET A 659 -8.334 16.836 -25.708 1.00 25.00 O ATOM 1009 CB MET A 659 -11.056 15.752 -26.312 1.00 25.00 C ATOM 1010 CG MET A 659 -11.193 16.201 -27.755 1.00 25.00 C ATOM 1011 SD MET A 659 -12.878 16.535 -28.221 1.00 25.00 S ATOM 1012 CE MET A 659 -12.705 16.534 -30.005 1.00 25.00 C ATOM 0 H MET A 659 -9.864 15.129 -24.009 1.00 25.00 H new ATOM 0 HA MET A 659 -9.810 14.118 -26.788 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.915 15.140 -26.037 1.00 25.00 H new ATOM 0 HB3 MET A 659 -11.062 16.623 -25.656 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.594 17.099 -27.909 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.786 15.430 -28.410 1.00 25.00 H new ATOM 0 HE1 MET A 659 -13.690 16.462 -30.466 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.222 17.457 -30.324 1.00 25.00 H new ATOM 0 HE3 MET A 659 -12.098 15.682 -30.311 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.764 15.413 -27.344 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.582 16.162 -27.735 1.00 25.00 C ATOM 1024 C LEU A 660 -6.992 17.091 -28.848 1.00 25.00 C ATOM 1025 O LEU A 660 -7.856 16.753 -29.649 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.483 15.234 -28.252 1.00 25.00 C ATOM 1027 CG LEU A 660 -4.842 14.271 -27.249 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -3.815 13.448 -27.993 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.175 15.032 -26.092 1.00 25.00 C ATOM 0 H LEU A 660 -7.918 14.560 -27.882 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.191 16.702 -26.873 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -5.898 14.643 -29.068 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.693 15.853 -28.677 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.609 13.631 -26.813 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.339 12.750 -27.304 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.304 12.892 -28.792 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.060 14.108 -28.420 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -3.729 14.320 -25.397 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.399 15.688 -26.487 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -4.923 15.629 -25.570 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.361 18.252 -28.900 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.611 19.247 -29.940 1.00 25.00 C ATOM 1043 C LYS A 661 -5.243 19.738 -30.361 1.00 25.00 C ATOM 1044 O LYS A 661 -4.250 19.311 -29.781 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.484 20.399 -29.415 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.885 19.940 -29.014 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.938 21.027 -29.192 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.318 20.383 -29.283 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.437 21.377 -29.441 1.00 25.00 N ATOM 0 H LYS A 661 -5.656 18.536 -28.220 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.161 18.822 -30.780 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.996 20.857 -28.555 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.564 21.168 -30.183 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -9.162 19.071 -29.611 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.873 19.620 -27.972 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.904 21.723 -28.354 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.733 21.604 -30.094 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.333 19.694 -30.127 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.493 19.791 -28.385 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.337 20.870 -29.564 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.491 21.977 -28.593 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.258 21.972 -30.275 1.00 25.00 H new ATOM 1063 N SER A 662 -5.195 20.629 -31.343 1.00 25.00 N ATOM 1064 CA SER A 662 -3.924 21.184 -31.848 1.00 25.00 C ATOM 1065 C SER A 662 -3.037 20.051 -32.381 1.00 25.00 C ATOM 1066 O SER A 662 -1.892 19.875 -31.962 1.00 25.00 O ATOM 1067 CB SER A 662 -3.197 21.994 -30.757 1.00 25.00 C ATOM 1068 OG SER A 662 -2.140 22.771 -31.300 1.00 25.00 O ATOM 0 H SER A 662 -6.023 20.992 -31.815 1.00 25.00 H new ATOM 0 HA SER A 662 -4.144 21.870 -32.666 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.909 22.648 -30.254 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.800 21.315 -30.003 1.00 25.00 H new ATOM 0 HG SER A 662 -1.509 22.184 -31.766 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.596 19.285 -33.305 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.913 18.165 -33.943 1.00 25.00 C ATOM 1076 C LEU A 663 -3.285 18.211 -35.418 1.00 25.00 C ATOM 1077 O LEU A 663 -4.295 18.819 -35.778 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.341 16.837 -33.291 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.848 16.551 -33.096 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.523 16.018 -34.346 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.997 15.538 -31.970 1.00 25.00 C ATOM 0 H LEU A 663 -4.550 19.424 -33.639 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.832 18.235 -33.825 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.927 16.027 -33.891 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.866 16.783 -32.311 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.338 17.495 -32.858 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.578 15.838 -34.141 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.429 16.748 -35.150 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.048 15.084 -34.646 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.054 15.320 -31.814 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.473 14.620 -32.235 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.572 15.947 -31.054 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.478 17.595 -36.265 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.743 17.599 -37.702 1.00 25.00 C ATOM 1095 C ASP A 664 -3.982 16.747 -37.930 1.00 25.00 C ATOM 1096 O ASP A 664 -4.150 15.726 -37.285 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.595 16.977 -38.507 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.268 17.728 -38.368 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.128 18.649 -37.534 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.664 17.358 -39.105 1.00 25.00 O ATOM 0 H ASP A 664 -1.637 17.087 -35.989 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.866 18.631 -38.031 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.454 15.945 -38.184 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.876 16.946 -39.560 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.853 17.156 -38.836 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.062 16.379 -39.122 1.00 25.00 C ATOM 1107 C TRP A 665 -6.042 15.804 -40.529 1.00 25.00 C ATOM 1108 O TRP A 665 -6.526 14.707 -40.762 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.300 17.250 -38.907 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.203 18.600 -39.554 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.599 19.708 -39.054 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.729 19.001 -40.835 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.691 20.760 -39.909 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.374 20.369 -41.024 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.465 18.344 -41.844 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.721 21.086 -42.186 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.824 19.068 -43.014 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.441 20.431 -43.170 1.00 25.00 C ATOM 0 H TRP A 665 -4.754 18.010 -39.384 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.095 15.535 -38.433 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.173 16.730 -39.300 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.462 17.380 -37.837 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.106 19.748 -38.094 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.311 21.692 -39.744 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.751 17.309 -41.730 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.433 22.120 -42.306 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.392 18.580 -43.792 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.717 20.961 -44.070 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.464 16.543 -41.463 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.379 16.134 -42.864 1.00 25.00 C ATOM 1131 C ASN A 666 -4.093 15.356 -43.120 1.00 25.00 C ATOM 1132 O ASN A 666 -3.740 15.079 -44.261 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.389 17.377 -43.760 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.169 18.241 -43.559 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -3.884 18.690 -42.454 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.441 18.472 -44.613 1.00 25.00 N ATOM 0 H ASN A 666 -5.037 17.450 -41.273 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.234 15.497 -43.090 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.444 17.068 -44.804 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.284 17.963 -43.553 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.600 19.044 -44.537 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.711 18.081 -45.515 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.394 15.020 -42.049 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.125 14.311 -42.125 1.00 25.00 C ATOM 1145 C ALA A 667 -2.103 13.395 -40.911 1.00 25.00 C ATOM 1146 O ALA A 667 -2.919 13.554 -40.006 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.949 15.294 -42.102 1.00 25.00 C ATOM 0 H ALA A 667 -3.691 15.232 -41.097 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.028 13.747 -43.053 1.00 25.00 H new ATOM 0 HB1 ALA A 667 -0.011 14.741 -42.160 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -1.024 15.971 -42.953 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.974 15.870 -41.177 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.189 12.442 -40.899 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.144 11.457 -39.826 1.00 25.00 C ATOM 1155 C GLU A 668 -0.409 11.949 -38.590 1.00 25.00 C ATOM 1156 O GLU A 668 0.501 12.786 -38.659 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.502 10.160 -40.341 1.00 25.00 C ATOM 1158 CG GLU A 668 0.980 10.266 -40.694 1.00 25.00 C ATOM 1159 CD GLU A 668 1.493 9.005 -41.384 1.00 25.00 C ATOM 1160 OE1 GLU A 668 0.665 8.136 -41.756 1.00 25.00 O ATOM 1161 OE2 GLU A 668 2.719 8.887 -41.565 1.00 25.00 O ATOM 0 H GLU A 668 -0.471 12.326 -41.614 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.174 11.273 -39.520 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.624 9.386 -39.583 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.047 9.829 -41.225 1.00 25.00 H new ATOM 0 HG2 GLU A 668 1.137 11.126 -41.345 1.00 25.00 H new ATOM 0 HG3 GLU A 668 1.557 10.444 -39.787 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.824 11.411 -37.452 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.208 11.721 -36.177 1.00 25.00 C ATOM 1170 C TYR A 669 -0.288 10.509 -35.277 1.00 25.00 C ATOM 1171 O TYR A 669 -1.133 9.639 -35.480 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.909 12.913 -35.524 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.360 12.710 -35.224 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.334 13.023 -36.185 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.778 12.220 -33.974 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.699 12.870 -35.903 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.152 12.065 -33.686 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.095 12.402 -34.655 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.419 12.287 -34.386 1.00 25.00 O ATOM 0 H TYR A 669 -1.597 10.748 -37.390 1.00 25.00 H new ATOM 0 HA TYR A 669 0.838 11.985 -36.336 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.392 13.154 -34.595 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.807 13.778 -36.179 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.028 13.387 -37.155 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.042 11.960 -33.228 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.439 13.114 -36.651 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.469 11.689 -32.724 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.825 11.648 -35.009 1.00 25.00 H new ATOM 1189 N GLU A 670 0.592 10.462 -34.292 1.00 25.00 N ATOM 1190 CA GLU A 670 0.664 9.358 -33.341 1.00 25.00 C ATOM 1191 C GLU A 670 0.435 9.912 -31.943 1.00 25.00 C ATOM 1192 O GLU A 670 0.839 11.039 -31.633 1.00 25.00 O ATOM 1193 CB GLU A 670 2.029 8.651 -33.433 1.00 25.00 C ATOM 1194 CG GLU A 670 3.240 9.543 -33.134 1.00 25.00 C ATOM 1195 CD GLU A 670 4.561 8.846 -33.432 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.821 7.771 -32.856 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.348 9.387 -34.241 1.00 25.00 O ATOM 0 H GLU A 670 1.284 11.193 -34.125 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.103 8.619 -33.573 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.034 7.811 -32.738 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.140 8.236 -34.435 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.171 10.455 -33.727 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.218 9.842 -32.086 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.226 9.129 -31.106 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.548 9.531 -29.737 1.00 25.00 C ATOM 1206 C VAL A 671 -0.134 8.431 -28.780 1.00 25.00 C ATOM 1207 O VAL A 671 -0.423 7.273 -29.032 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.083 9.733 -29.572 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.441 10.125 -28.127 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.605 10.792 -30.550 1.00 25.00 C ATOM 0 H VAL A 671 -0.557 8.196 -31.352 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.022 10.462 -29.525 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.564 8.782 -29.799 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.519 10.259 -28.043 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.119 9.337 -27.446 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.938 11.057 -27.868 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.680 10.914 -30.414 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.105 11.742 -30.359 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.402 10.474 -31.573 1.00 25.00 H new ATOM 1220 N TYR A 672 0.516 8.801 -27.686 1.00 25.00 N ATOM 1221 CA TYR A 672 0.893 7.874 -26.619 1.00 25.00 C ATOM 1222 C TYR A 672 0.278 8.406 -25.340 1.00 25.00 C ATOM 1223 O TYR A 672 0.299 9.608 -25.097 1.00 25.00 O ATOM 1224 CB TYR A 672 2.410 7.813 -26.452 1.00 25.00 C ATOM 1225 CG TYR A 672 3.082 6.980 -27.508 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.533 5.677 -27.216 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.263 7.478 -28.809 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.142 4.878 -28.217 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.878 6.689 -29.808 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.314 5.398 -29.506 1.00 25.00 C ATOM 1231 OH TYR A 672 4.899 4.644 -30.488 1.00 25.00 O ATOM 0 H TYR A 672 0.802 9.764 -27.509 1.00 25.00 H new ATOM 0 HA TYR A 672 0.543 6.870 -26.857 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.815 8.825 -26.482 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.646 7.405 -25.469 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.413 5.282 -26.218 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.928 8.476 -29.049 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.471 3.875 -27.987 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.010 7.085 -30.804 1.00 25.00 H new ATOM 0 HH TYR A 672 4.937 5.162 -31.319 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.276 7.526 -24.526 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.916 7.934 -23.281 1.00 25.00 C ATOM 1243 C VAL A 673 -0.562 6.916 -22.206 1.00 25.00 C ATOM 1244 O VAL A 673 -0.529 5.706 -22.465 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.471 8.084 -23.476 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.058 6.889 -24.255 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.198 8.283 -22.128 1.00 25.00 C ATOM 0 H VAL A 673 -0.297 6.522 -24.702 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.553 8.913 -22.969 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.636 8.982 -24.072 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.133 7.024 -24.372 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.590 6.830 -25.238 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.866 5.967 -23.706 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.269 8.383 -22.304 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -3.014 7.422 -21.485 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.824 9.185 -21.643 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.289 7.416 -21.009 1.00 25.00 N ATOM 1258 CA VAL A 674 0.018 6.585 -19.849 1.00 25.00 C ATOM 1259 C VAL A 674 -0.732 7.156 -18.652 1.00 25.00 C ATOM 1260 O VAL A 674 -1.153 8.316 -18.650 1.00 25.00 O ATOM 1261 CB VAL A 674 1.553 6.535 -19.521 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.316 5.814 -20.616 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.133 7.929 -19.332 1.00 25.00 C ATOM 0 H VAL A 674 -0.274 8.417 -20.812 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.290 5.564 -20.073 1.00 25.00 H new ATOM 0 HB VAL A 674 1.661 5.987 -18.585 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.377 5.792 -20.366 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.944 4.794 -20.708 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.177 6.337 -21.562 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.197 7.853 -19.107 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.996 8.507 -20.246 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.622 8.427 -18.508 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.895 6.331 -17.638 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.554 6.718 -16.405 1.00 25.00 C ATOM 1275 C ALA A 675 -0.559 6.449 -15.303 1.00 25.00 C ATOM 1276 O ALA A 675 0.368 5.663 -15.482 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.803 5.889 -16.200 1.00 25.00 C ATOM 0 H ALA A 675 -0.571 5.364 -17.646 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.858 7.765 -16.422 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.290 6.188 -15.272 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.486 6.047 -17.035 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.535 4.834 -16.146 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.745 7.075 -14.160 1.00 25.00 N ATOM 1284 CA GLU A 676 0.083 6.771 -13.012 1.00 25.00 C ATOM 1285 C GLU A 676 -0.820 6.663 -11.818 1.00 25.00 C ATOM 1286 O GLU A 676 -1.827 7.356 -11.731 1.00 25.00 O ATOM 1287 CB GLU A 676 1.166 7.830 -12.801 1.00 25.00 C ATOM 1288 CG GLU A 676 0.701 9.202 -12.355 1.00 25.00 C ATOM 1289 CD GLU A 676 1.874 10.147 -12.146 1.00 25.00 C ATOM 1290 OE1 GLU A 676 2.858 10.079 -12.922 1.00 25.00 O ATOM 1291 OE2 GLU A 676 1.819 10.954 -11.196 1.00 25.00 O ATOM 0 H GLU A 676 -1.455 7.790 -14.001 1.00 25.00 H new ATOM 0 HA GLU A 676 0.610 5.830 -13.171 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.871 7.453 -12.060 1.00 25.00 H new ATOM 0 HB3 GLU A 676 1.716 7.944 -13.735 1.00 25.00 H new ATOM 0 HG2 GLU A 676 0.025 9.619 -13.102 1.00 25.00 H new ATOM 0 HG3 GLU A 676 0.135 9.112 -11.428 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.461 5.803 -10.888 1.00 25.00 N ATOM 1299 CA ASN A 677 -1.217 5.668 -9.657 1.00 25.00 C ATOM 1300 C ASN A 677 -0.227 6.025 -8.573 1.00 25.00 C ATOM 1301 O ASN A 677 0.916 6.346 -8.864 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.924 4.292 -9.503 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.992 3.138 -9.233 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.189 3.297 -9.023 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.544 1.954 -9.227 1.00 25.00 N ATOM 0 H ASN A 677 0.349 5.187 -10.959 1.00 25.00 H new ATOM 0 HA ASN A 677 -2.080 6.333 -9.619 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.646 4.358 -8.689 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.487 4.083 -10.413 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.976 1.127 -9.041 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.543 1.856 -9.408 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.654 6.001 -7.330 1.00 25.00 N ATOM 1313 CA GLN A 678 0.202 6.425 -6.233 1.00 25.00 C ATOM 1314 C GLN A 678 1.379 5.460 -5.932 1.00 25.00 C ATOM 1315 O GLN A 678 2.148 5.676 -5.004 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.696 6.729 -5.031 1.00 25.00 C ATOM 1317 CG GLN A 678 -0.062 7.621 -3.965 1.00 25.00 C ATOM 1318 CD GLN A 678 -1.084 8.175 -2.997 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.933 8.962 -3.373 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.998 7.778 -1.755 1.00 25.00 N ATOM 0 H GLN A 678 -1.585 5.694 -7.049 1.00 25.00 H new ATOM 0 HA GLN A 678 0.731 7.334 -6.519 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.608 7.207 -5.389 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.990 5.787 -4.568 1.00 25.00 H new ATOM 0 HG2 GLN A 678 0.685 7.050 -3.414 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.461 8.446 -4.449 1.00 25.00 H new ATOM 0 HE21 GLN A 678 -0.272 7.117 -1.480 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -1.657 8.129 -1.061 1.00 25.00 H new ATOM 1329 N GLN A 679 1.502 4.395 -6.714 1.00 25.00 N ATOM 1330 CA GLN A 679 2.580 3.421 -6.556 1.00 25.00 C ATOM 1331 C GLN A 679 3.503 3.299 -7.793 1.00 25.00 C ATOM 1332 O GLN A 679 4.694 2.950 -7.636 1.00 25.00 O ATOM 1333 CB GLN A 679 1.967 2.049 -6.253 1.00 25.00 C ATOM 1334 CG GLN A 679 2.897 1.105 -5.494 1.00 25.00 C ATOM 1335 CD GLN A 679 3.035 1.402 -4.005 1.00 25.00 C ATOM 1336 OE1 GLN A 679 2.426 2.453 -3.537 1.00 25.00 O flip ATOM 1337 NE2 GLN A 679 3.692 0.653 -3.286 1.00 25.00 N flip ATOM 0 H GLN A 679 0.859 4.180 -7.476 1.00 25.00 H new ATOM 0 HA GLN A 679 3.205 3.776 -5.737 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.056 2.190 -5.671 1.00 25.00 H new ATOM 0 HB3 GLN A 679 1.676 1.578 -7.192 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.533 0.085 -5.614 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.886 1.146 -5.951 1.00 25.00 H new ATOM 0 HE21 GLN A 679 4.156 -0.162 -3.687 1.00 25.00 H new ATOM 0 HE22 GLN A 679 3.773 0.846 -2.288 1.00 25.00 H new ATOM 1346 N GLY A 680 2.990 3.568 -8.989 1.00 25.00 N ATOM 1347 CA GLY A 680 3.801 3.440 -10.194 1.00 25.00 C ATOM 1348 C GLY A 680 3.070 3.858 -11.467 1.00 25.00 C ATOM 1349 O GLY A 680 1.978 4.428 -11.409 1.00 25.00 O ATOM 0 H GLY A 680 2.030 3.872 -9.149 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.699 4.048 -10.084 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.127 2.405 -10.295 1.00 25.00 H new ATOM 1353 N LYS A 681 3.674 3.595 -12.622 1.00 25.00 N ATOM 1354 CA LYS A 681 3.152 4.034 -13.931 1.00 25.00 C ATOM 1355 C LYS A 681 2.593 2.891 -14.758 1.00 25.00 C ATOM 1356 O LYS A 681 2.919 1.734 -14.551 1.00 25.00 O ATOM 1357 CB LYS A 681 4.290 4.680 -14.720 1.00 25.00 C ATOM 1358 CG LYS A 681 4.893 5.876 -14.009 1.00 25.00 C ATOM 1359 CD LYS A 681 4.191 7.156 -14.380 1.00 25.00 C ATOM 1360 CE LYS A 681 5.120 8.057 -15.120 1.00 25.00 C ATOM 1361 NZ LYS A 681 4.692 9.501 -14.999 1.00 25.00 N ATOM 0 H LYS A 681 4.545 3.069 -12.686 1.00 25.00 H new ATOM 0 HA LYS A 681 2.339 4.733 -13.737 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.069 3.939 -14.899 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.918 4.993 -15.696 1.00 25.00 H new ATOM 0 HG2 LYS A 681 4.833 5.727 -12.931 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.950 5.954 -14.261 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.319 6.936 -14.996 1.00 25.00 H new ATOM 0 HD3 LYS A 681 3.829 7.654 -13.481 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.131 7.941 -14.730 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.149 7.770 -16.171 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 5.534 10.109 -14.944 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 4.127 9.766 -15.831 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 4.120 9.623 -14.139 1.00 25.00 H new ATOM 1375 N SER A 682 1.739 3.236 -15.702 1.00 25.00 N ATOM 1376 CA SER A 682 1.098 2.244 -16.560 1.00 25.00 C ATOM 1377 C SER A 682 1.899 2.021 -17.826 1.00 25.00 C ATOM 1378 O SER A 682 2.753 2.831 -18.189 1.00 25.00 O ATOM 1379 CB SER A 682 -0.305 2.713 -16.961 1.00 25.00 C ATOM 1380 OG SER A 682 -0.265 3.565 -18.098 1.00 25.00 O ATOM 0 H SER A 682 1.468 4.200 -15.899 1.00 25.00 H new ATOM 0 HA SER A 682 1.040 1.314 -15.994 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.931 1.847 -17.176 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.766 3.241 -16.126 1.00 25.00 H new ATOM 0 HG SER A 682 -0.197 3.022 -18.911 1.00 25.00 H new ATOM 1386 N LYS A 683 1.598 0.940 -18.530 1.00 25.00 N ATOM 1387 CA LYS A 683 2.186 0.711 -19.835 1.00 25.00 C ATOM 1388 C LYS A 683 1.555 1.716 -20.780 1.00 25.00 C ATOM 1389 O LYS A 683 0.407 2.112 -20.585 1.00 25.00 O ATOM 1390 CB LYS A 683 1.853 -0.688 -20.322 1.00 25.00 C ATOM 1391 CG LYS A 683 2.997 -1.680 -20.171 1.00 25.00 C ATOM 1392 CD LYS A 683 2.598 -3.079 -20.652 1.00 25.00 C ATOM 1393 CE LYS A 683 2.181 -3.054 -22.121 1.00 25.00 C ATOM 1394 NZ LYS A 683 1.927 -4.427 -22.677 1.00 25.00 N ATOM 0 H LYS A 683 0.953 0.213 -18.219 1.00 25.00 H new ATOM 0 HA LYS A 683 3.270 0.816 -19.790 1.00 25.00 H new ATOM 0 HB2 LYS A 683 0.989 -1.058 -19.771 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.564 -0.638 -21.372 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.859 -1.331 -20.740 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.303 -1.727 -19.126 1.00 25.00 H new ATOM 0 HD2 LYS A 683 3.434 -3.765 -20.519 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.776 -3.456 -20.043 1.00 25.00 H new ATOM 0 HE2 LYS A 683 1.279 -2.451 -22.228 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.961 -2.568 -22.707 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 1.648 -4.351 -23.676 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.793 -4.997 -22.602 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 1.164 -4.884 -22.138 1.00 25.00 H new ATOM 1408 N ALA A 684 2.295 2.114 -21.799 1.00 25.00 N ATOM 1409 CA ALA A 684 1.775 3.034 -22.796 1.00 25.00 C ATOM 1410 C ALA A 684 0.837 2.303 -23.747 1.00 25.00 C ATOM 1411 O ALA A 684 0.984 1.101 -23.985 1.00 25.00 O ATOM 1412 CB ALA A 684 2.939 3.660 -23.587 1.00 25.00 C ATOM 0 H ALA A 684 3.257 1.815 -21.958 1.00 25.00 H new ATOM 0 HA ALA A 684 1.219 3.824 -22.291 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.543 4.349 -24.333 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.593 4.202 -22.904 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.506 2.873 -24.085 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.094 3.055 -24.306 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.963 2.577 -25.369 1.00 25.00 C ATOM 1420 C ALA A 685 -0.800 3.646 -26.439 1.00 25.00 C ATOM 1421 O ALA A 685 -0.701 4.832 -26.105 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.416 2.472 -24.895 1.00 25.00 C ATOM 0 H ALA A 685 -0.270 4.022 -24.034 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.710 1.576 -25.719 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -3.040 2.112 -25.713 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.476 1.776 -24.059 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.766 3.454 -24.576 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.743 3.239 -27.697 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.535 4.170 -28.798 1.00 25.00 C ATOM 1430 C HIS A 686 -1.379 3.866 -30.021 1.00 25.00 C ATOM 1431 O HIS A 686 -1.694 2.709 -30.296 1.00 25.00 O ATOM 1432 CB HIS A 686 0.937 4.162 -29.190 1.00 25.00 C ATOM 1433 CG HIS A 686 1.508 2.788 -29.362 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.399 2.038 -30.505 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.213 2.009 -28.495 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.014 0.877 -30.300 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.524 0.803 -29.087 1.00 25.00 N ATOM 0 H HIS A 686 -0.838 2.265 -27.983 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.845 5.152 -28.440 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.059 4.715 -30.121 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.509 4.691 -28.428 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.488 2.294 -27.490 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.087 0.091 -31.037 1.00 25.00 H new ATOM 0 HE2 HIS A 686 3.037 0.023 -28.676 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.741 4.911 -30.754 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.527 4.763 -31.978 1.00 25.00 C ATOM 1447 C PHE A 687 -2.188 5.874 -32.969 1.00 25.00 C ATOM 1448 O PHE A 687 -1.682 6.928 -32.575 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.029 4.726 -31.662 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.666 6.082 -31.490 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.493 6.827 -30.305 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.468 6.612 -32.516 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.138 8.090 -30.144 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.108 7.860 -32.364 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.949 8.597 -31.176 1.00 25.00 C ATOM 0 H PHE A 687 -1.503 5.876 -30.523 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.269 3.812 -32.444 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.543 4.196 -32.464 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.181 4.149 -30.750 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.868 6.439 -29.514 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.596 6.056 -33.433 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.004 8.655 -29.233 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.722 8.251 -33.162 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.447 9.548 -31.057 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.452 5.618 -34.247 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.150 6.555 -35.337 1.00 25.00 C ATOM 1467 C VAL A 688 -3.460 6.839 -36.073 1.00 25.00 C ATOM 1468 O VAL A 688 -4.247 5.919 -36.295 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.096 5.940 -36.324 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.778 6.899 -37.488 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.204 5.601 -35.572 1.00 25.00 C ATOM 0 H VAL A 688 -2.884 4.750 -34.563 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.724 7.475 -34.936 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.530 5.030 -36.739 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.045 6.438 -38.149 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.690 7.108 -38.047 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.374 7.831 -37.092 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.927 5.175 -36.268 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.616 6.508 -35.131 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.009 4.879 -34.784 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.708 8.093 -36.435 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.968 8.477 -37.083 1.00 25.00 C ATOM 1483 C PHE A 689 -4.793 9.660 -38.046 1.00 25.00 C ATOM 1484 O PHE A 689 -3.876 10.457 -37.887 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.965 8.861 -35.977 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.318 9.298 -36.485 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.573 10.658 -36.746 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.346 8.361 -36.693 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.832 11.089 -37.200 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.619 8.783 -37.159 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.856 10.153 -37.411 1.00 25.00 C ATOM 0 H PHE A 689 -3.056 8.865 -36.293 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.327 7.635 -37.675 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.098 8.008 -35.312 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.536 9.667 -35.381 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.787 11.383 -36.595 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.166 7.314 -36.497 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.011 12.138 -37.386 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.404 8.059 -37.320 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.823 10.479 -37.765 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.696 9.769 -39.023 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.814 10.939 -39.916 1.00 25.00 C ATOM 1503 C ARG A 690 -7.269 10.962 -40.347 1.00 25.00 C ATOM 1504 O ARG A 690 -7.933 9.931 -40.294 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.940 10.889 -41.184 1.00 25.00 C ATOM 1506 CG ARG A 690 -3.932 9.764 -41.317 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.482 8.537 -42.020 1.00 25.00 C ATOM 1508 NE ARG A 690 -3.435 7.503 -42.117 1.00 25.00 N ATOM 1509 CZ ARG A 690 -2.437 7.497 -42.998 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -2.288 8.424 -43.915 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -1.563 6.535 -42.947 1.00 25.00 N ATOM 0 H ARG A 690 -6.379 9.039 -39.224 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.475 11.819 -39.370 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.606 10.842 -42.046 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.397 11.832 -41.251 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.063 10.128 -41.866 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.585 9.479 -40.324 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.340 8.148 -41.473 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -4.834 8.805 -43.016 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.479 6.729 -41.455 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -2.954 9.194 -43.975 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -1.506 8.375 -44.568 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -1.650 5.804 -42.241 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -0.791 6.512 -43.613 1.00 25.00 H new ATOM 1525 N THR A 691 -7.753 12.111 -40.787 1.00 25.00 N ATOM 1526 CA THR A 691 -9.123 12.254 -41.283 1.00 25.00 C ATOM 1527 C THR A 691 -9.019 13.071 -42.571 1.00 25.00 C ATOM 1528 O THR A 691 -7.910 13.373 -43.006 1.00 25.00 O ATOM 1529 CB THR A 691 -10.064 12.906 -40.220 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.416 12.858 -40.682 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.697 14.351 -39.926 1.00 25.00 C ATOM 0 H THR A 691 -7.212 12.975 -40.813 1.00 25.00 H new ATOM 0 HA THR A 691 -9.579 11.284 -41.484 1.00 25.00 H new ATOM 0 HB THR A 691 -9.948 12.337 -39.298 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.677 13.739 -41.023 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.382 14.756 -39.181 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.677 14.397 -39.544 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.768 14.938 -40.842 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.149 13.401 -43.189 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.183 14.123 -44.470 1.00 25.00 C ATOM 1541 C HIS A 692 -9.421 13.324 -45.539 1.00 25.00 C ATOM 1542 O HIS A 692 -8.831 13.866 -46.462 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.636 15.550 -44.318 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.192 16.515 -45.318 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.387 17.176 -45.176 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -9.695 16.939 -46.514 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -11.562 17.953 -46.242 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -10.557 17.851 -47.088 1.00 25.00 N ATOM 0 H HIS A 692 -11.073 13.177 -42.820 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.219 14.220 -44.795 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.860 15.911 -43.314 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.550 15.526 -44.413 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -8.763 16.609 -46.949 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.422 18.589 -46.395 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -10.441 18.340 -47.975 1.00 25.00 H new