USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=20 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 -73:sc= 0.721 USER MOD Set 1.2: A 659 MET CE :methyl 150:sc= -0.243 (180deg=-0.975) USER MOD Set 2.1: A 620 ASN : amide:sc= 0.196 K(o=2,f=-2.4) USER MOD Set 2.2: A 623 LYS NZ :NH3+ -136:sc= 1.83 (180deg=-0.414) USER MOD Set 3.1: A 605 LYS NZ :NH3+ -145:sc= 0.799 (180deg=0.138) USER MOD Set 3.2: A 624 GLN : amide:sc= -0.966 X(o=-0.17,f=-0.57) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 609 GLN : amide:sc= 0.146 X(o=0.15,f=-0.15) USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.771 K(o=0.77,f=-0.29) USER MOD Single : A 618 LYS NZ :NH3+ 139:sc= 1.91 (180deg=0.322) USER MOD Single : A 629 SER OG : rot 3:sc= 0.583 USER MOD Single : A 633 HIS : no HE2:sc= -0.212 K(o=-0.21,f=-0.79) USER MOD Single : A 634 TYR OH : rot 98:sc= 0.0724 USER MOD Single : A 638 TYR OH : rot 41:sc= 0.275 USER MOD Single : A 642 SER OG : rot -63:sc= 0.41 USER MOD Single : A 643 SER OG : rot 88:sc= 1.27 USER MOD Single : A 646 LYS NZ :NH3+ -142:sc= -0.0157 (180deg=-1.55) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -72:sc= 0.856 USER MOD Single : A 657 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.011) USER MOD Single : A 661 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= -0.0428 K(o=-0.043,f=-0.72) USER MOD Single : A 669 TYR OH : rot -15:sc= -0.165 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.548 K(o=-0.55,f=-6.8!) USER MOD Single : A 678 GLN : amide:sc= -0.826 X(o=-0.83,f=-0.41) USER MOD Single : A 679 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.012) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 SER OG : rot 81:sc= 1.12 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) USER MOD Single : A 691 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : A 692 HIS : no HD1:sc=-0.00405 X(o=-0.0041,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.336 -3.199 -3.666 1.00 25.00 N ATOM 52 CA VAL A 598 -0.343 -2.590 -4.812 1.00 25.00 C ATOM 53 C VAL A 598 0.540 -2.596 -6.062 1.00 25.00 C ATOM 54 O VAL A 598 1.703 -2.206 -6.024 1.00 25.00 O ATOM 55 CB VAL A 598 -0.830 -1.133 -4.448 1.00 25.00 C ATOM 56 CG1 VAL A 598 0.011 -0.527 -3.313 1.00 25.00 C ATOM 57 CG2 VAL A 598 -0.829 -0.203 -5.675 1.00 25.00 C ATOM 0 HA VAL A 598 -1.220 -3.193 -5.047 1.00 25.00 H new ATOM 0 HB VAL A 598 -1.859 -1.224 -4.101 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.351 0.476 -3.088 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.074 -1.152 -2.424 1.00 25.00 H new ATOM 0 HG13 VAL A 598 1.055 -0.475 -3.622 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.171 0.789 -5.380 1.00 25.00 H new ATOM 0 HG22 VAL A 598 0.181 -0.134 -6.078 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.497 -0.605 -6.437 1.00 25.00 H new ATOM 67 N ARG A 599 -0.038 -3.053 -7.170 1.00 25.00 N ATOM 68 CA ARG A 599 0.660 -3.101 -8.461 1.00 25.00 C ATOM 69 C ARG A 599 0.459 -1.808 -9.247 1.00 25.00 C ATOM 70 O ARG A 599 -0.419 -1.002 -8.927 1.00 25.00 O ATOM 71 CB ARG A 599 0.138 -4.280 -9.301 1.00 25.00 C ATOM 72 CG ARG A 599 -1.359 -4.195 -9.647 1.00 25.00 C ATOM 73 CD ARG A 599 -1.724 -5.123 -10.802 1.00 25.00 C ATOM 74 NE ARG A 599 -3.161 -5.030 -11.127 1.00 25.00 N ATOM 75 CZ ARG A 599 -4.114 -5.835 -10.669 1.00 25.00 C ATOM 76 NH1 ARG A 599 -3.866 -6.841 -9.865 1.00 25.00 N ATOM 77 NH2 ARG A 599 -5.347 -5.613 -11.022 1.00 25.00 N ATOM 0 H ARG A 599 -0.997 -3.399 -7.203 1.00 25.00 H new ATOM 0 HA ARG A 599 1.723 -3.229 -8.257 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.711 -4.333 -10.227 1.00 25.00 H new ATOM 0 HB3 ARG A 599 0.322 -5.207 -8.759 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -1.951 -4.456 -8.770 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.614 -3.168 -9.910 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -1.132 -4.865 -11.680 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.473 -6.151 -10.539 1.00 25.00 H new ATOM 0 HE ARG A 599 -3.448 -4.282 -11.759 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -2.909 -7.031 -9.566 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -4.630 -7.433 -9.538 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -5.568 -4.832 -11.640 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -6.092 -6.220 -10.681 1.00 25.00 H new ATOM 91 N GLU A 600 1.262 -1.635 -10.286 1.00 25.00 N ATOM 92 CA GLU A 600 1.140 -0.491 -11.188 1.00 25.00 C ATOM 93 C GLU A 600 -0.144 -0.635 -12.023 1.00 25.00 C ATOM 94 O GLU A 600 -0.665 -1.749 -12.185 1.00 25.00 O ATOM 95 CB GLU A 600 2.351 -0.437 -12.129 1.00 25.00 C ATOM 96 CG GLU A 600 3.637 -0.020 -11.443 1.00 25.00 C ATOM 97 CD GLU A 600 4.755 0.261 -12.442 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.206 1.431 -12.530 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.185 -0.687 -13.135 1.00 25.00 O ATOM 0 H GLU A 600 2.015 -2.279 -10.530 1.00 25.00 H new ATOM 0 HA GLU A 600 1.099 0.426 -10.600 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.493 -1.419 -12.581 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.139 0.260 -12.940 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.455 0.872 -10.843 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.953 -0.806 -10.757 1.00 25.00 H new ATOM 106 N PRO A 601 -0.678 0.482 -12.551 1.00 25.00 N ATOM 107 CA PRO A 601 -1.900 0.368 -13.357 1.00 25.00 C ATOM 108 C PRO A 601 -1.726 -0.290 -14.727 1.00 25.00 C ATOM 109 O PRO A 601 -0.640 -0.336 -15.303 1.00 25.00 O ATOM 110 CB PRO A 601 -2.335 1.825 -13.522 1.00 25.00 C ATOM 111 CG PRO A 601 -1.090 2.598 -13.437 1.00 25.00 C ATOM 112 CD PRO A 601 -0.234 1.887 -12.443 1.00 25.00 C ATOM 0 HA PRO A 601 -2.620 -0.285 -12.863 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.835 1.983 -14.478 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.038 2.119 -12.742 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.598 2.653 -14.408 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.287 3.622 -13.121 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.825 1.993 -12.677 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.379 2.278 -11.436 1.00 25.00 H new ATOM 120 N SER A 602 -2.836 -0.790 -15.243 1.00 25.00 N ATOM 121 CA SER A 602 -2.897 -1.416 -16.558 1.00 25.00 C ATOM 122 C SER A 602 -2.897 -0.325 -17.622 1.00 25.00 C ATOM 123 O SER A 602 -3.280 0.813 -17.348 1.00 25.00 O ATOM 124 CB SER A 602 -4.157 -2.269 -16.693 1.00 25.00 C ATOM 125 OG SER A 602 -4.124 -3.037 -17.885 1.00 25.00 O ATOM 0 H SER A 602 -3.732 -0.774 -14.757 1.00 25.00 H new ATOM 0 HA SER A 602 -2.031 -2.065 -16.686 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.247 -2.931 -15.832 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.037 -1.626 -16.694 1.00 25.00 H new ATOM 0 HG SER A 602 -4.940 -3.576 -17.949 1.00 25.00 H new ATOM 131 N ALA A 603 -2.450 -0.673 -18.822 1.00 25.00 N ATOM 132 CA ALA A 603 -2.396 0.269 -19.939 1.00 25.00 C ATOM 133 C ALA A 603 -3.771 0.938 -20.165 1.00 25.00 C ATOM 134 O ALA A 603 -4.822 0.327 -19.917 1.00 25.00 O ATOM 135 CB ALA A 603 -1.944 -0.472 -21.214 1.00 25.00 C ATOM 0 H ALA A 603 -2.116 -1.609 -19.050 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.678 1.054 -19.702 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.903 0.229 -22.047 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.956 -0.902 -21.054 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.653 -1.267 -21.443 1.00 25.00 H new ATOM 141 N PRO A 604 -3.776 2.202 -20.629 1.00 25.00 N ATOM 142 CA PRO A 604 -5.061 2.879 -20.818 1.00 25.00 C ATOM 143 C PRO A 604 -5.909 2.308 -21.939 1.00 25.00 C ATOM 144 O PRO A 604 -5.436 1.564 -22.795 1.00 25.00 O ATOM 145 CB PRO A 604 -4.645 4.323 -21.106 1.00 25.00 C ATOM 146 CG PRO A 604 -3.348 4.198 -21.719 1.00 25.00 C ATOM 147 CD PRO A 604 -2.660 3.092 -20.992 1.00 25.00 C ATOM 0 HA PRO A 604 -5.706 2.764 -19.947 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.354 4.817 -21.770 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.599 4.915 -20.192 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.438 3.971 -22.781 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.786 5.128 -21.638 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.927 2.587 -21.622 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.128 3.455 -20.112 1.00 25.00 H new ATOM 155 N LYS A 605 -7.185 2.661 -21.903 1.00 25.00 N ATOM 156 CA LYS A 605 -8.166 2.126 -22.845 1.00 25.00 C ATOM 157 C LYS A 605 -8.213 3.065 -24.040 1.00 25.00 C ATOM 158 O LYS A 605 -8.012 4.259 -23.880 1.00 25.00 O ATOM 159 CB LYS A 605 -9.546 2.016 -22.172 1.00 25.00 C ATOM 160 CG LYS A 605 -9.591 1.010 -20.989 1.00 25.00 C ATOM 161 CD LYS A 605 -9.230 1.653 -19.630 1.00 25.00 C ATOM 162 CE LYS A 605 -8.105 0.889 -18.904 1.00 25.00 C ATOM 163 NZ LYS A 605 -8.589 -0.332 -18.174 1.00 25.00 N ATOM 0 H LYS A 605 -7.571 3.321 -21.227 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.885 1.124 -23.170 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.842 3.001 -21.810 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.281 1.716 -22.919 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.590 0.578 -20.926 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -8.901 0.190 -21.191 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.921 2.686 -19.790 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -10.116 1.680 -18.996 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -7.349 0.593 -19.631 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -7.620 1.559 -18.194 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -8.038 -0.456 -17.301 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -9.595 -0.218 -17.935 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -8.470 -1.169 -18.780 1.00 25.00 H new ATOM 177 N LEU A 606 -8.462 2.545 -25.228 1.00 25.00 N ATOM 178 CA LEU A 606 -8.482 3.377 -26.426 1.00 25.00 C ATOM 179 C LEU A 606 -9.597 2.918 -27.345 1.00 25.00 C ATOM 180 O LEU A 606 -9.564 1.813 -27.861 1.00 25.00 O ATOM 181 CB LEU A 606 -7.119 3.304 -27.141 1.00 25.00 C ATOM 182 CG LEU A 606 -6.853 4.207 -28.365 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.366 3.593 -29.671 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.443 5.606 -28.176 1.00 25.00 C ATOM 0 H LEU A 606 -8.653 1.557 -25.393 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.665 4.414 -26.146 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.350 3.523 -26.400 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.972 2.272 -27.459 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.769 4.294 -28.442 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -7.153 4.269 -30.499 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.869 2.639 -29.844 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.442 3.434 -29.600 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -7.235 6.211 -29.058 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.521 5.530 -28.034 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.994 6.075 -27.300 1.00 25.00 H new ATOM 196 N GLU A 607 -10.576 3.789 -27.550 1.00 25.00 N ATOM 197 CA GLU A 607 -11.716 3.470 -28.415 1.00 25.00 C ATOM 198 C GLU A 607 -11.643 4.239 -29.739 1.00 25.00 C ATOM 199 O GLU A 607 -12.473 4.054 -30.615 1.00 25.00 O ATOM 200 CB GLU A 607 -13.032 3.779 -27.694 1.00 25.00 C ATOM 201 CG GLU A 607 -13.053 3.376 -26.211 1.00 25.00 C ATOM 202 CD GLU A 607 -12.572 1.960 -25.939 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.626 1.817 -25.122 1.00 25.00 O ATOM 204 OE2 GLU A 607 -13.123 1.003 -26.512 1.00 25.00 O ATOM 0 H GLU A 607 -10.609 4.719 -27.133 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.677 2.405 -28.643 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -13.232 4.848 -27.770 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.844 3.265 -28.209 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.431 4.072 -25.649 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -14.070 3.480 -25.833 1.00 25.00 H new ATOM 211 N GLY A 608 -10.628 5.091 -29.865 1.00 25.00 N ATOM 212 CA GLY A 608 -10.355 5.811 -31.111 1.00 25.00 C ATOM 213 C GLY A 608 -11.537 6.542 -31.723 1.00 25.00 C ATOM 214 O GLY A 608 -11.852 6.346 -32.891 1.00 25.00 O ATOM 0 H GLY A 608 -9.974 5.302 -29.112 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.561 6.534 -30.924 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.973 5.100 -31.843 1.00 25.00 H new ATOM 218 N GLN A 609 -12.205 7.378 -30.944 1.00 25.00 N ATOM 219 CA GLN A 609 -13.411 8.042 -31.416 1.00 25.00 C ATOM 220 C GLN A 609 -13.005 9.262 -32.221 1.00 25.00 C ATOM 221 O GLN A 609 -12.468 10.233 -31.683 1.00 25.00 O ATOM 222 CB GLN A 609 -14.290 8.415 -30.231 1.00 25.00 C ATOM 223 CG GLN A 609 -14.806 7.191 -29.469 1.00 25.00 C ATOM 224 CD GLN A 609 -15.756 6.359 -30.294 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.860 6.775 -30.590 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.330 5.185 -30.666 1.00 25.00 N ATOM 0 H GLN A 609 -11.936 7.612 -29.989 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.992 7.378 -32.057 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.724 9.050 -29.550 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.138 9.002 -30.584 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.961 6.575 -29.161 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.310 7.518 -28.559 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.397 4.872 -30.397 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -15.929 4.579 -31.226 1.00 25.00 H new ATOM 235 N MET A 610 -13.250 9.179 -33.519 1.00 25.00 N ATOM 236 CA MET A 610 -12.829 10.190 -34.478 1.00 25.00 C ATOM 237 C MET A 610 -13.268 11.609 -34.129 1.00 25.00 C ATOM 238 O MET A 610 -14.362 11.851 -33.613 1.00 25.00 O ATOM 239 CB MET A 610 -13.333 9.820 -35.887 1.00 25.00 C ATOM 240 CG MET A 610 -14.860 9.795 -36.058 1.00 25.00 C ATOM 241 SD MET A 610 -15.663 8.351 -35.321 1.00 25.00 S ATOM 242 CE MET A 610 -17.403 8.781 -35.557 1.00 25.00 C ATOM 0 H MET A 610 -13.753 8.399 -33.942 1.00 25.00 H new ATOM 0 HA MET A 610 -11.739 10.195 -34.446 1.00 25.00 H new ATOM 0 HB2 MET A 610 -12.917 10.530 -36.601 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.939 8.838 -36.148 1.00 25.00 H new ATOM 0 HG2 MET A 610 -15.279 10.697 -35.613 1.00 25.00 H new ATOM 0 HG3 MET A 610 -15.096 9.825 -37.122 1.00 25.00 H new ATOM 0 HE1 MET A 610 -18.032 7.987 -35.154 1.00 25.00 H new ATOM 0 HE2 MET A 610 -17.620 9.715 -35.039 1.00 25.00 H new ATOM 0 HE3 MET A 610 -17.607 8.900 -36.621 1.00 25.00 H new ATOM 252 N GLY A 611 -12.392 12.551 -34.433 1.00 25.00 N ATOM 253 CA GLY A 611 -12.687 13.950 -34.219 1.00 25.00 C ATOM 254 C GLY A 611 -13.258 14.575 -35.470 1.00 25.00 C ATOM 255 O GLY A 611 -12.541 15.219 -36.233 1.00 25.00 O ATOM 0 H GLY A 611 -11.470 12.368 -34.829 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.396 14.055 -33.398 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.779 14.477 -33.925 1.00 25.00 H new ATOM 259 N GLU A 612 -14.555 14.395 -35.677 1.00 25.00 N ATOM 260 CA GLU A 612 -15.267 14.998 -36.815 1.00 25.00 C ATOM 261 C GLU A 612 -15.300 16.511 -36.608 1.00 25.00 C ATOM 262 O GLU A 612 -15.537 17.285 -37.524 1.00 25.00 O ATOM 263 CB GLU A 612 -16.690 14.446 -36.879 1.00 25.00 C ATOM 264 CG GLU A 612 -16.739 12.958 -37.202 1.00 25.00 C ATOM 265 CD GLU A 612 -17.933 12.268 -36.567 1.00 25.00 C ATOM 266 OE1 GLU A 612 -18.004 12.242 -35.315 1.00 25.00 O ATOM 267 OE2 GLU A 612 -18.792 11.746 -37.306 1.00 25.00 O ATOM 0 H GLU A 612 -15.149 13.831 -35.069 1.00 25.00 H new ATOM 0 HA GLU A 612 -14.761 14.761 -37.751 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.185 14.621 -35.924 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.253 14.995 -37.634 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -16.778 12.825 -38.283 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -15.821 12.483 -36.855 1.00 25.00 H new ATOM 274 N ASP A 613 -15.024 16.893 -35.370 1.00 25.00 N ATOM 275 CA ASP A 613 -14.908 18.278 -34.928 1.00 25.00 C ATOM 276 C ASP A 613 -13.776 18.991 -35.669 1.00 25.00 C ATOM 277 O ASP A 613 -13.756 20.215 -35.788 1.00 25.00 O ATOM 278 CB ASP A 613 -14.557 18.285 -33.430 1.00 25.00 C ATOM 279 CG ASP A 613 -15.270 17.184 -32.644 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.846 15.999 -32.755 1.00 25.00 O ATOM 281 OD2 ASP A 613 -16.227 17.477 -31.909 1.00 25.00 O ATOM 0 H ASP A 613 -14.869 16.223 -34.616 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.852 18.786 -35.126 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.480 18.167 -33.314 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -14.819 19.254 -33.006 1.00 25.00 H new ATOM 286 N GLY A 614 -12.827 18.200 -36.155 1.00 25.00 N ATOM 287 CA GLY A 614 -11.668 18.724 -36.852 1.00 25.00 C ATOM 288 C GLY A 614 -10.571 19.165 -35.901 1.00 25.00 C ATOM 289 O GLY A 614 -10.834 19.623 -34.789 1.00 25.00 O ATOM 0 H GLY A 614 -12.842 17.183 -36.076 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.277 17.961 -37.525 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -11.971 19.569 -37.470 1.00 25.00 H new ATOM 293 N ASN A 615 -9.323 19.013 -36.346 1.00 25.00 N ATOM 294 CA ASN A 615 -8.130 19.427 -35.589 1.00 25.00 C ATOM 295 C ASN A 615 -8.066 18.845 -34.159 1.00 25.00 C ATOM 296 O ASN A 615 -7.368 19.388 -33.293 1.00 25.00 O ATOM 297 CB ASN A 615 -8.078 20.970 -35.556 1.00 25.00 C ATOM 298 CG ASN A 615 -6.681 21.515 -35.726 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.392 22.213 -36.681 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.818 21.203 -34.814 1.00 25.00 N ATOM 0 H ASN A 615 -9.105 18.595 -37.251 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.258 19.022 -36.102 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.716 21.367 -36.346 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.487 21.322 -34.609 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.859 21.544 -34.881 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.097 20.616 -34.028 1.00 25.00 H new ATOM 307 N SER A 616 -8.802 17.764 -33.912 1.00 25.00 N ATOM 308 CA SER A 616 -8.902 17.165 -32.584 1.00 25.00 C ATOM 309 C SER A 616 -9.322 15.693 -32.666 1.00 25.00 C ATOM 310 O SER A 616 -9.649 15.219 -33.751 1.00 25.00 O ATOM 311 CB SER A 616 -9.958 17.946 -31.802 1.00 25.00 C ATOM 312 OG SER A 616 -11.184 17.947 -32.503 1.00 25.00 O ATOM 0 H SER A 616 -9.345 17.279 -34.626 1.00 25.00 H new ATOM 0 HA SER A 616 -7.929 17.207 -32.094 1.00 25.00 H new ATOM 0 HB2 SER A 616 -10.095 17.500 -30.817 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.620 18.970 -31.644 1.00 25.00 H new ATOM 0 HG SER A 616 -11.116 18.540 -33.280 1.00 25.00 H new ATOM 318 N ILE A 617 -9.321 14.989 -31.531 1.00 25.00 N ATOM 319 CA ILE A 617 -9.797 13.589 -31.446 1.00 25.00 C ATOM 320 C ILE A 617 -10.069 13.199 -29.986 1.00 25.00 C ATOM 321 O ILE A 617 -9.463 13.764 -29.075 1.00 25.00 O ATOM 322 CB ILE A 617 -8.764 12.598 -32.062 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.386 11.195 -32.214 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.454 12.542 -31.226 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.881 10.412 -33.389 1.00 25.00 C ATOM 0 H ILE A 617 -8.992 15.365 -30.642 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.723 13.526 -32.018 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.498 12.966 -33.053 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.193 10.626 -31.305 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.468 11.299 -32.301 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.758 11.841 -31.686 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -7.001 13.533 -31.192 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.683 12.213 -30.212 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.373 9.440 -33.417 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -9.099 10.955 -34.309 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.804 10.271 -33.297 1.00 25.00 H new ATOM 337 N LYS A 618 -10.959 12.234 -29.763 1.00 25.00 N ATOM 338 CA LYS A 618 -11.299 11.775 -28.414 1.00 25.00 C ATOM 339 C LYS A 618 -10.653 10.406 -28.165 1.00 25.00 C ATOM 340 O LYS A 618 -10.748 9.505 -28.998 1.00 25.00 O ATOM 341 CB LYS A 618 -12.823 11.638 -28.254 1.00 25.00 C ATOM 342 CG LYS A 618 -13.667 12.855 -28.677 1.00 25.00 C ATOM 343 CD LYS A 618 -14.153 12.764 -30.148 1.00 25.00 C ATOM 344 CE LYS A 618 -15.471 13.529 -30.353 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.906 13.564 -31.799 1.00 25.00 N ATOM 0 H LYS A 618 -11.463 11.750 -30.506 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.929 12.507 -27.696 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.152 10.776 -28.834 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -13.039 11.419 -27.208 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.531 12.940 -28.018 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -13.078 13.763 -28.549 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.389 13.169 -30.811 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.291 11.718 -30.423 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -16.253 13.064 -29.754 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.355 14.549 -29.988 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.934 13.419 -31.856 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.664 14.487 -32.212 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -15.420 12.810 -32.326 1.00 25.00 H new ATOM 359 N VAL A 619 -10.007 10.245 -27.020 1.00 25.00 N ATOM 360 CA VAL A 619 -9.365 8.976 -26.651 1.00 25.00 C ATOM 361 C VAL A 619 -9.840 8.686 -25.219 1.00 25.00 C ATOM 362 O VAL A 619 -10.167 9.615 -24.477 1.00 25.00 O ATOM 363 CB VAL A 619 -7.778 9.035 -26.832 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.304 10.461 -27.210 1.00 25.00 C ATOM 365 CG2 VAL A 619 -7.023 8.533 -25.590 1.00 25.00 C ATOM 0 H VAL A 619 -9.909 10.980 -26.320 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.650 8.153 -27.307 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.540 8.359 -27.653 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -6.220 10.466 -27.325 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.770 10.763 -28.148 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.588 11.159 -26.423 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.949 8.595 -25.767 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.285 9.150 -24.731 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.299 7.498 -25.390 1.00 25.00 H new ATOM 375 N ASN A 620 -9.922 7.417 -24.837 1.00 25.00 N ATOM 376 CA ASN A 620 -10.469 7.056 -23.531 1.00 25.00 C ATOM 377 C ASN A 620 -9.444 7.027 -22.412 1.00 25.00 C ATOM 378 O ASN A 620 -8.254 6.820 -22.626 1.00 25.00 O ATOM 379 CB ASN A 620 -11.172 5.707 -23.602 1.00 25.00 C ATOM 380 CG ASN A 620 -12.662 5.854 -23.653 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.359 5.536 -22.704 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.159 6.356 -24.754 1.00 25.00 N ATOM 0 H ASN A 620 -9.620 6.626 -25.406 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.177 7.848 -23.286 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.830 5.166 -24.484 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.896 5.108 -22.734 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.166 6.495 -24.842 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.540 6.609 -25.524 1.00 25.00 H new ATOM 389 N LEU A 621 -9.938 7.265 -21.212 1.00 25.00 N ATOM 390 CA LEU A 621 -9.138 7.297 -20.001 1.00 25.00 C ATOM 391 C LEU A 621 -9.679 6.341 -18.940 1.00 25.00 C ATOM 392 O LEU A 621 -10.863 6.004 -18.930 1.00 25.00 O ATOM 393 CB LEU A 621 -9.009 8.726 -19.504 1.00 25.00 C ATOM 394 CG LEU A 621 -7.578 9.243 -19.358 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.709 9.067 -20.606 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.677 10.726 -19.022 1.00 25.00 C ATOM 0 H LEU A 621 -10.928 7.446 -21.048 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.135 6.939 -20.231 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.546 9.381 -20.190 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.505 8.802 -18.537 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.089 8.657 -18.580 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.711 9.461 -20.413 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.639 8.008 -20.854 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -7.157 9.607 -21.440 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.676 11.141 -18.908 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.196 11.247 -19.826 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.230 10.852 -18.091 1.00 25.00 H new ATOM 408 N ILE A 622 -8.785 5.871 -18.087 1.00 25.00 N ATOM 409 CA ILE A 622 -9.105 4.935 -17.004 1.00 25.00 C ATOM 410 C ILE A 622 -10.344 5.375 -16.203 1.00 25.00 C ATOM 411 O ILE A 622 -10.422 6.499 -15.731 1.00 25.00 O ATOM 412 CB ILE A 622 -7.876 4.853 -16.026 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.821 3.854 -16.523 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.286 4.486 -14.602 1.00 25.00 C ATOM 415 CD1 ILE A 622 -6.032 4.294 -17.721 1.00 25.00 C ATOM 0 H ILE A 622 -7.799 6.128 -18.122 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.322 3.966 -17.453 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.443 5.853 -16.011 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.127 3.648 -15.708 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.319 2.914 -16.762 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.400 4.443 -13.968 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.973 5.239 -14.215 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.778 3.513 -14.604 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.316 3.518 -17.990 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -6.708 4.470 -18.558 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.498 5.215 -17.487 1.00 25.00 H new ATOM 427 N LYS A 623 -11.308 4.469 -16.073 1.00 25.00 N ATOM 428 CA LYS A 623 -12.533 4.712 -15.298 1.00 25.00 C ATOM 429 C LYS A 623 -12.737 3.697 -14.168 1.00 25.00 C ATOM 430 O LYS A 623 -13.819 3.590 -13.609 1.00 25.00 O ATOM 431 CB LYS A 623 -13.752 4.747 -16.228 1.00 25.00 C ATOM 432 CG LYS A 623 -13.964 3.491 -17.093 1.00 25.00 C ATOM 433 CD LYS A 623 -13.520 3.700 -18.540 1.00 25.00 C ATOM 434 CE LYS A 623 -14.550 4.558 -19.272 1.00 25.00 C ATOM 435 NZ LYS A 623 -13.971 5.822 -19.849 1.00 25.00 N ATOM 0 H LYS A 623 -11.268 3.543 -16.500 1.00 25.00 H new ATOM 0 HA LYS A 623 -12.419 5.684 -14.819 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.644 4.904 -15.622 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.659 5.609 -16.888 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.409 2.658 -16.662 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -15.018 3.214 -17.075 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -12.544 4.185 -18.565 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -13.411 2.738 -19.040 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -14.996 3.971 -20.075 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.353 4.817 -18.582 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -14.611 6.618 -19.653 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -13.044 6.009 -19.416 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -13.857 5.714 -20.877 1.00 25.00 H new ATOM 449 N GLN A 624 -11.699 2.940 -13.854 1.00 25.00 N ATOM 450 CA GLN A 624 -11.770 1.884 -12.840 1.00 25.00 C ATOM 451 C GLN A 624 -10.409 1.768 -12.163 1.00 25.00 C ATOM 452 O GLN A 624 -9.427 2.241 -12.711 1.00 25.00 O ATOM 453 CB GLN A 624 -12.143 0.541 -13.506 1.00 25.00 C ATOM 454 CG GLN A 624 -11.028 -0.122 -14.374 1.00 25.00 C ATOM 455 CD GLN A 624 -10.677 0.654 -15.641 1.00 25.00 C ATOM 456 OE1 GLN A 624 -11.345 0.560 -16.656 1.00 25.00 O ATOM 457 NE2 GLN A 624 -9.622 1.408 -15.587 1.00 25.00 N ATOM 0 H GLN A 624 -10.782 3.034 -14.290 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.532 2.129 -12.100 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.434 -0.161 -12.725 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.019 0.700 -14.134 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.129 -0.232 -13.768 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -11.349 -1.126 -14.653 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.082 1.468 -14.724 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -9.333 1.941 -16.408 1.00 25.00 H new ATOM 466 N ASP A 625 -10.320 1.139 -11.001 1.00 25.00 N ATOM 467 CA ASP A 625 -9.007 0.921 -10.389 1.00 25.00 C ATOM 468 C ASP A 625 -8.400 -0.293 -11.087 1.00 25.00 C ATOM 469 O ASP A 625 -8.899 -1.409 -10.980 1.00 25.00 O ATOM 470 CB ASP A 625 -9.090 0.698 -8.876 1.00 25.00 C ATOM 471 CG ASP A 625 -7.718 0.783 -8.202 1.00 25.00 C ATOM 472 OD1 ASP A 625 -7.666 1.109 -7.000 1.00 25.00 O ATOM 473 OD2 ASP A 625 -6.688 0.541 -8.881 1.00 25.00 O ATOM 0 H ASP A 625 -11.113 0.778 -10.471 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.387 1.809 -10.515 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -9.755 1.442 -8.437 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.530 -0.279 -8.678 1.00 25.00 H new ATOM 478 N ASP A 626 -7.329 -0.061 -11.827 1.00 25.00 N ATOM 479 CA ASP A 626 -6.668 -1.113 -12.591 1.00 25.00 C ATOM 480 C ASP A 626 -5.769 -1.974 -11.733 1.00 25.00 C ATOM 481 O ASP A 626 -5.207 -2.976 -12.201 1.00 25.00 O ATOM 482 CB ASP A 626 -5.779 -0.487 -13.641 1.00 25.00 C ATOM 483 CG ASP A 626 -6.566 0.249 -14.702 1.00 25.00 C ATOM 484 OD1 ASP A 626 -6.789 1.453 -14.527 1.00 25.00 O ATOM 485 OD2 ASP A 626 -6.975 -0.377 -15.712 1.00 25.00 O ATOM 0 H ASP A 626 -6.892 0.856 -11.917 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.459 -1.727 -13.021 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.087 0.205 -13.161 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.177 -1.264 -14.113 1.00 25.00 H new ATOM 490 N GLY A 627 -5.595 -1.577 -10.486 1.00 25.00 N ATOM 491 CA GLY A 627 -4.669 -2.266 -9.623 1.00 25.00 C ATOM 492 C GLY A 627 -5.008 -2.229 -8.159 1.00 25.00 C ATOM 493 O GLY A 627 -6.070 -2.646 -7.727 1.00 25.00 O ATOM 0 H GLY A 627 -6.080 -0.789 -10.056 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -4.609 -3.307 -9.939 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.678 -1.833 -9.761 1.00 25.00 H new ATOM 497 N GLY A 628 -4.040 -1.748 -7.402 1.00 25.00 N ATOM 498 CA GLY A 628 -4.152 -1.732 -5.946 1.00 25.00 C ATOM 499 C GLY A 628 -4.410 -0.376 -5.319 1.00 25.00 C ATOM 500 O GLY A 628 -4.556 -0.272 -4.103 1.00 25.00 O ATOM 0 H GLY A 628 -3.168 -1.363 -7.765 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.958 -2.405 -5.655 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.232 -2.137 -5.525 1.00 25.00 H new ATOM 504 N SER A 629 -4.437 0.670 -6.129 1.00 25.00 N ATOM 505 CA SER A 629 -4.652 2.030 -5.640 1.00 25.00 C ATOM 506 C SER A 629 -5.094 2.864 -6.825 1.00 25.00 C ATOM 507 O SER A 629 -4.610 2.641 -7.949 1.00 25.00 O ATOM 508 CB SER A 629 -3.366 2.642 -5.074 1.00 25.00 C ATOM 509 OG SER A 629 -2.924 1.941 -3.924 1.00 25.00 O ATOM 0 H SER A 629 -4.312 0.605 -7.139 1.00 25.00 H new ATOM 0 HA SER A 629 -5.394 2.010 -4.842 1.00 25.00 H new ATOM 0 HB2 SER A 629 -2.586 2.624 -5.836 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.539 3.688 -4.821 1.00 25.00 H new ATOM 0 HG SER A 629 -3.517 1.178 -3.758 1.00 25.00 H new ATOM 515 N PRO A 630 -5.987 3.842 -6.604 1.00 25.00 N ATOM 516 CA PRO A 630 -6.447 4.617 -7.754 1.00 25.00 C ATOM 517 C PRO A 630 -5.362 5.462 -8.402 1.00 25.00 C ATOM 518 O PRO A 630 -4.298 5.741 -7.825 1.00 25.00 O ATOM 519 CB PRO A 630 -7.554 5.492 -7.156 1.00 25.00 C ATOM 520 CG PRO A 630 -7.164 5.655 -5.743 1.00 25.00 C ATOM 521 CD PRO A 630 -6.640 4.299 -5.361 1.00 25.00 C ATOM 0 HA PRO A 630 -6.779 3.971 -8.567 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.619 6.454 -7.664 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.530 5.016 -7.247 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.403 6.427 -5.624 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.013 5.946 -5.124 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.936 4.356 -4.531 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.441 3.627 -5.054 1.00 25.00 H new ATOM 529 N ILE A 631 -5.656 5.852 -9.628 1.00 25.00 N ATOM 530 CA ILE A 631 -4.768 6.665 -10.439 1.00 25.00 C ATOM 531 C ILE A 631 -4.657 8.050 -9.789 1.00 25.00 C ATOM 532 O ILE A 631 -5.587 8.520 -9.143 1.00 25.00 O ATOM 533 CB ILE A 631 -5.320 6.714 -11.910 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.773 5.523 -12.733 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.932 8.005 -12.638 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.225 4.112 -12.279 1.00 25.00 C ATOM 0 H ILE A 631 -6.530 5.610 -10.095 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.764 6.243 -10.492 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.406 6.666 -11.829 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.070 5.660 -13.773 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.684 5.559 -12.706 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -5.338 7.988 -13.650 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -5.336 8.862 -12.099 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.846 8.084 -12.684 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.779 3.360 -12.930 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.903 3.940 -11.252 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.311 4.042 -12.336 1.00 25.00 H new ATOM 548 N ARG A 632 -3.505 8.685 -9.961 1.00 25.00 N ATOM 549 CA ARG A 632 -3.261 10.042 -9.481 1.00 25.00 C ATOM 550 C ARG A 632 -3.522 10.996 -10.653 1.00 25.00 C ATOM 551 O ARG A 632 -4.349 11.906 -10.554 1.00 25.00 O ATOM 552 CB ARG A 632 -1.797 10.200 -9.040 1.00 25.00 C ATOM 553 CG ARG A 632 -1.472 9.861 -7.565 1.00 25.00 C ATOM 554 CD ARG A 632 0.045 9.937 -7.353 1.00 25.00 C ATOM 555 NE ARG A 632 0.647 11.190 -7.833 1.00 25.00 N ATOM 556 CZ ARG A 632 0.882 12.274 -7.108 1.00 25.00 C ATOM 557 NH1 ARG A 632 0.585 12.351 -5.832 1.00 25.00 N ATOM 558 NH2 ARG A 632 1.437 13.300 -7.683 1.00 25.00 N ATOM 0 H ARG A 632 -2.706 8.271 -10.441 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.909 10.258 -8.632 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.180 9.567 -9.678 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.495 11.231 -9.226 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -1.980 10.558 -6.899 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.836 8.863 -7.320 1.00 25.00 H new ATOM 0 HD2 ARG A 632 0.261 9.824 -6.290 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.517 9.098 -7.865 1.00 25.00 H new ATOM 0 HE ARG A 632 0.909 11.228 -8.818 1.00 25.00 H new ATOM 0 HH11 ARG A 632 0.155 11.556 -5.359 1.00 25.00 H new ATOM 0 HH12 ARG A 632 0.784 13.206 -5.313 1.00 25.00 H new ATOM 0 HH21 ARG A 632 1.682 13.260 -8.672 1.00 25.00 H new ATOM 0 HH22 ARG A 632 1.627 14.145 -7.145 1.00 25.00 H new ATOM 572 N HIS A 633 -2.802 10.783 -11.751 1.00 25.00 N ATOM 573 CA HIS A 633 -2.871 11.653 -12.933 1.00 25.00 C ATOM 574 C HIS A 633 -2.756 10.867 -14.243 1.00 25.00 C ATOM 575 O HIS A 633 -2.488 9.669 -14.243 1.00 25.00 O ATOM 576 CB HIS A 633 -1.708 12.662 -12.914 1.00 25.00 C ATOM 577 CG HIS A 633 -1.550 13.389 -11.616 1.00 25.00 C ATOM 578 ND1 HIS A 633 -2.494 14.222 -11.072 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.513 13.411 -10.736 1.00 25.00 C ATOM 580 CE1 HIS A 633 -2.023 14.695 -9.924 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.818 14.231 -9.665 1.00 25.00 N ATOM 0 H HIS A 633 -2.152 10.003 -11.852 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.840 12.150 -12.891 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.781 12.135 -13.138 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.861 13.391 -13.710 1.00 25.00 H new ATOM 0 HD1 HIS A 633 -3.403 14.441 -11.480 1.00 25.00 H new ATOM 0 HD2 HIS A 633 0.413 12.868 -10.856 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -2.562 15.376 -9.282 1.00 25.00 H new ATOM 589 N TYR A 634 -2.931 11.567 -15.353 1.00 25.00 N ATOM 590 CA TYR A 634 -2.736 11.005 -16.689 1.00 25.00 C ATOM 591 C TYR A 634 -1.755 11.868 -17.442 1.00 25.00 C ATOM 592 O TYR A 634 -1.735 13.086 -17.256 1.00 25.00 O ATOM 593 CB TYR A 634 -4.044 10.983 -17.455 1.00 25.00 C ATOM 594 CG TYR A 634 -5.070 10.143 -16.776 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.143 10.733 -16.085 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.976 8.743 -16.805 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.107 9.937 -15.441 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.929 7.952 -16.145 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.995 8.568 -15.462 1.00 25.00 C ATOM 600 OH TYR A 634 -7.954 7.868 -14.786 1.00 25.00 O ATOM 0 H TYR A 634 -3.214 12.547 -15.357 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.362 9.986 -16.590 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.420 12.001 -17.561 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.870 10.601 -18.461 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.228 11.809 -16.048 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -4.165 8.271 -17.339 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.936 10.403 -14.929 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.845 6.875 -16.161 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.642 7.565 -15.415 1.00 25.00 H new ATOM 610 N LEU A 635 -0.944 11.234 -18.276 1.00 25.00 N ATOM 611 CA LEU A 635 0.047 11.936 -19.083 1.00 25.00 C ATOM 612 C LEU A 635 -0.102 11.490 -20.538 1.00 25.00 C ATOM 613 O LEU A 635 -0.078 10.289 -20.825 1.00 25.00 O ATOM 614 CB LEU A 635 1.457 11.622 -18.558 1.00 25.00 C ATOM 615 CG LEU A 635 1.716 11.958 -17.073 1.00 25.00 C ATOM 616 CD1 LEU A 635 2.997 11.270 -16.586 1.00 25.00 C ATOM 617 CD2 LEU A 635 1.818 13.466 -16.852 1.00 25.00 C ATOM 0 H LEU A 635 -0.953 10.223 -18.413 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.108 13.013 -19.021 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.651 10.560 -18.709 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.179 12.168 -19.165 1.00 25.00 H new ATOM 0 HG LEU A 635 0.868 11.587 -16.497 1.00 25.00 H new ATOM 0 HD11 LEU A 635 3.166 11.516 -15.538 1.00 25.00 H new ATOM 0 HD12 LEU A 635 2.893 10.190 -16.693 1.00 25.00 H new ATOM 0 HD13 LEU A 635 3.843 11.614 -17.181 1.00 25.00 H new ATOM 0 HD21 LEU A 635 2.000 13.668 -15.796 1.00 25.00 H new ATOM 0 HD22 LEU A 635 2.640 13.866 -17.445 1.00 25.00 H new ATOM 0 HD23 LEU A 635 0.886 13.942 -17.156 1.00 25.00 H new ATOM 629 N VAL A 636 -0.261 12.441 -21.451 1.00 25.00 N ATOM 630 CA VAL A 636 -0.396 12.129 -22.886 1.00 25.00 C ATOM 631 C VAL A 636 0.715 12.817 -23.682 1.00 25.00 C ATOM 632 O VAL A 636 1.065 13.956 -23.391 1.00 25.00 O ATOM 633 CB VAL A 636 -1.779 12.595 -23.448 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.065 11.937 -24.799 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.919 12.263 -22.459 1.00 25.00 C ATOM 0 H VAL A 636 -0.301 13.437 -21.233 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.321 11.047 -22.991 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.733 13.676 -23.581 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.032 12.275 -25.171 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.286 12.212 -25.510 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.081 10.854 -24.680 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.870 12.598 -22.874 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.954 11.186 -22.293 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.738 12.771 -21.512 1.00 25.00 H new ATOM 645 N ARG A 637 1.259 12.126 -24.679 1.00 25.00 N ATOM 646 CA ARG A 637 2.338 12.648 -25.527 1.00 25.00 C ATOM 647 C ARG A 637 1.929 12.392 -26.978 1.00 25.00 C ATOM 648 O ARG A 637 1.542 11.279 -27.296 1.00 25.00 O ATOM 649 CB ARG A 637 3.638 11.897 -25.196 1.00 25.00 C ATOM 650 CG ARG A 637 4.909 12.613 -25.619 1.00 25.00 C ATOM 651 CD ARG A 637 6.134 11.704 -25.542 1.00 25.00 C ATOM 652 NE ARG A 637 6.173 10.734 -26.652 1.00 25.00 N ATOM 653 CZ ARG A 637 7.104 9.803 -26.831 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.111 9.654 -26.005 1.00 25.00 N ATOM 655 NH2 ARG A 637 7.025 9.013 -27.863 1.00 25.00 N ATOM 0 H ARG A 637 0.965 11.181 -24.927 1.00 25.00 H new ATOM 0 HA ARG A 637 2.503 13.713 -25.363 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.677 11.721 -24.121 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.610 10.920 -25.678 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.795 12.981 -26.639 1.00 25.00 H new ATOM 0 HG3 ARG A 637 5.063 13.483 -24.981 1.00 25.00 H new ATOM 0 HD2 ARG A 637 7.038 12.312 -25.560 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.129 11.168 -24.593 1.00 25.00 H new ATOM 0 HE ARG A 637 5.422 10.782 -27.340 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.199 10.264 -25.192 1.00 25.00 H new ATOM 0 HH12 ARG A 637 8.807 8.928 -26.175 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.254 9.113 -28.524 1.00 25.00 H new ATOM 0 HH22 ARG A 637 7.734 8.295 -28.011 1.00 25.00 H new ATOM 669 N TYR A 638 1.993 13.383 -27.857 1.00 25.00 N ATOM 670 CA TYR A 638 1.557 13.184 -29.253 1.00 25.00 C ATOM 671 C TYR A 638 2.371 14.022 -30.227 1.00 25.00 C ATOM 672 O TYR A 638 2.896 15.067 -29.854 1.00 25.00 O ATOM 673 CB TYR A 638 0.051 13.478 -29.417 1.00 25.00 C ATOM 674 CG TYR A 638 -0.381 14.895 -29.077 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.828 15.774 -30.090 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.359 15.366 -27.747 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.252 17.097 -29.770 1.00 25.00 C ATOM 678 CE2 TYR A 638 -0.760 16.685 -27.436 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.210 17.534 -28.447 1.00 25.00 C ATOM 680 OH TYR A 638 -1.602 18.808 -28.125 1.00 25.00 O ATOM 0 H TYR A 638 2.334 14.320 -27.645 1.00 25.00 H new ATOM 0 HA TYR A 638 1.731 12.135 -29.491 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.232 13.268 -30.449 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.507 12.786 -28.787 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.848 15.440 -31.117 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.031 14.709 -26.955 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.604 17.757 -30.549 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -0.718 17.036 -26.415 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.402 19.044 -28.639 1.00 25.00 H new ATOM 690 N ARG A 639 2.482 13.543 -31.463 1.00 25.00 N ATOM 691 CA ARG A 639 3.295 14.182 -32.514 1.00 25.00 C ATOM 692 C ARG A 639 2.642 13.887 -33.845 1.00 25.00 C ATOM 693 O ARG A 639 1.987 12.869 -33.984 1.00 25.00 O ATOM 694 CB ARG A 639 4.715 13.594 -32.464 1.00 25.00 C ATOM 695 CG ARG A 639 5.617 13.768 -33.685 1.00 25.00 C ATOM 696 CD ARG A 639 5.601 12.514 -34.551 1.00 25.00 C ATOM 697 NE ARG A 639 5.898 12.824 -35.954 1.00 25.00 N ATOM 698 CZ ARG A 639 6.017 11.933 -36.930 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.878 10.645 -36.736 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.276 12.357 -38.135 1.00 25.00 N ATOM 0 H ARG A 639 2.010 12.694 -31.774 1.00 25.00 H new ATOM 0 HA ARG A 639 3.359 15.261 -32.370 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.227 14.034 -31.608 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.625 12.526 -32.267 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.283 14.624 -34.271 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.636 13.980 -33.363 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.333 11.800 -34.173 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.624 12.036 -34.482 1.00 25.00 H new ATOM 0 HE ARG A 639 6.023 13.806 -36.199 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.669 10.289 -35.803 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.979 9.998 -37.518 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.383 13.356 -38.312 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.372 11.690 -38.901 1.00 25.00 H new ATOM 714 N ALA A 640 2.831 14.767 -34.813 1.00 25.00 N ATOM 715 CA ALA A 640 2.274 14.607 -36.147 1.00 25.00 C ATOM 716 C ALA A 640 3.355 14.869 -37.185 1.00 25.00 C ATOM 717 O ALA A 640 4.495 15.154 -36.829 1.00 25.00 O ATOM 718 CB ALA A 640 1.138 15.559 -36.330 1.00 25.00 C ATOM 0 H ALA A 640 3.379 15.619 -34.695 1.00 25.00 H new ATOM 0 HA ALA A 640 1.906 13.589 -36.271 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.720 15.439 -37.330 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.367 15.353 -35.588 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.496 16.581 -36.206 1.00 25.00 H new ATOM 724 N LEU A 641 3.004 14.786 -38.461 1.00 25.00 N ATOM 725 CA LEU A 641 3.984 15.034 -39.519 1.00 25.00 C ATOM 726 C LEU A 641 4.573 16.439 -39.399 1.00 25.00 C ATOM 727 O LEU A 641 5.774 16.611 -39.566 1.00 25.00 O ATOM 728 CB LEU A 641 3.377 14.833 -40.916 1.00 25.00 C ATOM 729 CG LEU A 641 2.843 13.430 -41.277 1.00 25.00 C ATOM 730 CD1 LEU A 641 2.565 13.373 -42.783 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.816 12.304 -40.907 1.00 25.00 C ATOM 0 H LEU A 641 2.067 14.553 -38.789 1.00 25.00 H new ATOM 0 HA LEU A 641 4.784 14.305 -39.392 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.557 15.542 -41.029 1.00 25.00 H new ATOM 0 HB3 LEU A 641 4.135 15.102 -41.652 1.00 25.00 H new ATOM 0 HG LEU A 641 1.932 13.274 -40.699 1.00 25.00 H new ATOM 0 HD11 LEU A 641 2.187 12.385 -43.046 1.00 25.00 H new ATOM 0 HD12 LEU A 641 1.822 14.127 -43.045 1.00 25.00 H new ATOM 0 HD13 LEU A 641 3.487 13.567 -43.331 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.383 11.343 -41.186 1.00 25.00 H new ATOM 0 HD22 LEU A 641 4.757 12.446 -41.439 1.00 25.00 H new ATOM 0 HD23 LEU A 641 4.001 12.321 -39.833 1.00 25.00 H new ATOM 743 N SER A 642 3.741 17.435 -39.106 1.00 25.00 N ATOM 744 CA SER A 642 4.237 18.805 -38.904 1.00 25.00 C ATOM 745 C SER A 642 4.269 19.227 -37.427 1.00 25.00 C ATOM 746 O SER A 642 5.064 20.080 -37.039 1.00 25.00 O ATOM 747 CB SER A 642 3.403 19.801 -39.714 1.00 25.00 C ATOM 748 OG SER A 642 2.069 19.881 -39.245 1.00 25.00 O ATOM 0 H SER A 642 2.732 17.328 -39.003 1.00 25.00 H new ATOM 0 HA SER A 642 5.268 18.812 -39.257 1.00 25.00 H new ATOM 0 HB2 SER A 642 3.865 20.787 -39.663 1.00 25.00 H new ATOM 0 HB3 SER A 642 3.401 19.504 -40.763 1.00 25.00 H new ATOM 0 HG SER A 642 1.628 19.014 -39.364 1.00 25.00 H new ATOM 754 N SER A 643 3.413 18.641 -36.600 1.00 25.00 N ATOM 755 CA SER A 643 3.374 18.993 -35.175 1.00 25.00 C ATOM 756 C SER A 643 4.414 18.236 -34.346 1.00 25.00 C ATOM 757 O SER A 643 4.495 17.017 -34.386 1.00 25.00 O ATOM 758 CB SER A 643 1.991 18.720 -34.582 1.00 25.00 C ATOM 759 OG SER A 643 1.009 19.568 -35.149 1.00 25.00 O ATOM 0 H SER A 643 2.741 17.927 -36.881 1.00 25.00 H new ATOM 0 HA SER A 643 3.605 20.057 -35.127 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.718 17.679 -34.755 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.021 18.867 -33.502 1.00 25.00 H new ATOM 0 HG SER A 643 0.652 19.156 -35.963 1.00 25.00 H new ATOM 765 N GLU A 644 5.186 18.985 -33.577 1.00 25.00 N ATOM 766 CA GLU A 644 6.209 18.442 -32.672 1.00 25.00 C ATOM 767 C GLU A 644 5.632 17.513 -31.590 1.00 25.00 C ATOM 768 O GLU A 644 4.421 17.526 -31.324 1.00 25.00 O ATOM 769 CB GLU A 644 6.887 19.621 -31.956 1.00 25.00 C ATOM 770 CG GLU A 644 5.927 20.328 -30.988 1.00 25.00 C ATOM 771 CD GLU A 644 6.486 21.576 -30.349 1.00 25.00 C ATOM 772 OE1 GLU A 644 7.697 21.839 -30.449 1.00 25.00 O ATOM 773 OE2 GLU A 644 5.675 22.297 -29.724 1.00 25.00 O ATOM 0 H GLU A 644 5.126 20.003 -33.557 1.00 25.00 H new ATOM 0 HA GLU A 644 6.900 17.858 -33.279 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.757 19.261 -31.407 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.249 20.335 -32.695 1.00 25.00 H new ATOM 0 HG2 GLU A 644 5.015 20.588 -31.526 1.00 25.00 H new ATOM 0 HG3 GLU A 644 5.644 19.628 -30.202 1.00 25.00 H new ATOM 780 N TRP A 645 6.511 16.742 -30.949 1.00 25.00 N ATOM 781 CA TRP A 645 6.134 15.906 -29.804 1.00 25.00 C ATOM 782 C TRP A 645 5.742 16.784 -28.625 1.00 25.00 C ATOM 783 O TRP A 645 6.603 17.302 -27.918 1.00 25.00 O ATOM 784 CB TRP A 645 7.301 15.014 -29.339 1.00 25.00 C ATOM 785 CG TRP A 645 7.412 13.685 -30.041 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.397 13.273 -30.880 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.497 12.569 -29.954 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.182 12.001 -31.325 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.019 11.532 -30.783 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.274 12.354 -29.288 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.361 10.298 -30.950 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.607 11.108 -29.454 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.164 10.096 -30.286 1.00 25.00 C ATOM 0 H TRP A 645 7.496 16.678 -31.204 1.00 25.00 H new ATOM 0 HA TRP A 645 5.302 15.282 -30.130 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.234 15.560 -29.480 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.196 14.834 -28.269 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.247 13.878 -31.161 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.791 11.484 -31.959 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.849 13.124 -28.661 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 6.780 9.528 -31.581 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.671 10.929 -28.945 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.644 9.156 -30.401 1.00 25.00 H new ATOM 804 N LYS A 646 4.448 16.939 -28.393 1.00 25.00 N ATOM 805 CA LYS A 646 3.988 17.681 -27.226 1.00 25.00 C ATOM 806 C LYS A 646 4.319 16.753 -26.064 1.00 25.00 C ATOM 807 O LYS A 646 3.965 15.574 -26.108 1.00 25.00 O ATOM 808 CB LYS A 646 2.494 17.983 -27.301 1.00 25.00 C ATOM 809 CG LYS A 646 2.080 18.748 -28.562 1.00 25.00 C ATOM 810 CD LYS A 646 2.798 20.092 -28.710 1.00 25.00 C ATOM 811 CE LYS A 646 2.284 20.854 -29.926 1.00 25.00 C ATOM 812 NZ LYS A 646 2.429 20.039 -31.178 1.00 25.00 N ATOM 0 H LYS A 646 3.706 16.568 -28.986 1.00 25.00 H new ATOM 0 HA LYS A 646 4.462 18.658 -27.133 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.941 17.045 -27.258 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.206 18.563 -26.424 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.288 18.133 -29.438 1.00 25.00 H new ATOM 0 HG3 LYS A 646 1.004 18.918 -28.540 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.647 20.690 -27.811 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.871 19.927 -28.807 1.00 25.00 H new ATOM 0 HE2 LYS A 646 1.236 21.116 -29.778 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.834 21.789 -30.032 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 2.705 20.659 -31.966 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 3.160 19.313 -31.037 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 1.523 19.579 -31.400 1.00 25.00 H new ATOM 826 N PRO A 647 5.029 17.250 -25.037 1.00 25.00 N ATOM 827 CA PRO A 647 5.536 16.329 -24.012 1.00 25.00 C ATOM 828 C PRO A 647 4.538 15.840 -22.970 1.00 25.00 C ATOM 829 O PRO A 647 4.699 14.747 -22.429 1.00 25.00 O ATOM 830 CB PRO A 647 6.628 17.162 -23.337 1.00 25.00 C ATOM 831 CG PRO A 647 6.125 18.561 -23.428 1.00 25.00 C ATOM 832 CD PRO A 647 5.458 18.639 -24.784 1.00 25.00 C ATOM 0 HA PRO A 647 5.851 15.396 -24.480 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.778 16.859 -22.301 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.586 17.049 -23.844 1.00 25.00 H new ATOM 0 HG2 PRO A 647 5.420 18.782 -22.626 1.00 25.00 H new ATOM 0 HG3 PRO A 647 6.939 19.281 -23.344 1.00 25.00 H new ATOM 0 HD2 PRO A 647 4.611 19.325 -24.776 1.00 25.00 H new ATOM 0 HD3 PRO A 647 6.147 18.992 -25.551 1.00 25.00 H new ATOM 840 N GLU A 648 3.530 16.643 -22.666 1.00 25.00 N ATOM 841 CA GLU A 648 2.587 16.312 -21.608 1.00 25.00 C ATOM 842 C GLU A 648 1.241 16.973 -21.825 1.00 25.00 C ATOM 843 O GLU A 648 1.172 18.166 -22.114 1.00 25.00 O ATOM 844 CB GLU A 648 3.166 16.815 -20.263 1.00 25.00 C ATOM 845 CG GLU A 648 2.169 16.898 -19.079 1.00 25.00 C ATOM 846 CD GLU A 648 1.752 18.349 -18.746 1.00 25.00 C ATOM 847 OE1 GLU A 648 0.557 18.697 -18.897 1.00 25.00 O ATOM 848 OE2 GLU A 648 2.614 19.141 -18.316 1.00 25.00 O ATOM 0 H GLU A 648 3.344 17.529 -23.137 1.00 25.00 H new ATOM 0 HA GLU A 648 2.441 15.232 -21.606 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.986 16.157 -19.975 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.593 17.805 -20.422 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.279 16.315 -19.318 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.621 16.443 -18.197 1.00 25.00 H new ATOM 855 N ILE A 649 0.178 16.204 -21.631 1.00 25.00 N ATOM 856 CA ILE A 649 -1.134 16.758 -21.423 1.00 25.00 C ATOM 857 C ILE A 649 -1.500 16.080 -20.111 1.00 25.00 C ATOM 858 O ILE A 649 -1.649 14.859 -20.043 1.00 25.00 O ATOM 859 CB ILE A 649 -2.146 16.400 -22.544 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.653 16.905 -23.915 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.536 16.960 -22.211 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.607 18.444 -24.083 1.00 25.00 C ATOM 0 H ILE A 649 0.210 15.185 -21.615 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.154 17.848 -21.418 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.224 15.314 -22.603 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.653 16.508 -24.090 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.300 16.492 -24.689 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.233 16.700 -23.007 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.884 16.534 -21.270 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.479 18.045 -22.119 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.247 18.690 -25.082 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.607 18.855 -23.947 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.935 18.871 -23.339 1.00 25.00 H new ATOM 874 N ARG A 650 -1.620 16.899 -19.089 1.00 25.00 N ATOM 875 CA ARG A 650 -2.011 16.516 -17.741 1.00 25.00 C ATOM 876 C ARG A 650 -3.452 16.227 -17.716 1.00 25.00 C ATOM 877 O ARG A 650 -4.153 16.911 -18.395 1.00 25.00 O ATOM 878 CB ARG A 650 -1.827 17.708 -16.792 1.00 25.00 C ATOM 879 CG ARG A 650 -2.731 18.950 -17.190 1.00 25.00 C ATOM 880 CD ARG A 650 -2.180 20.231 -16.581 1.00 25.00 C ATOM 881 NE ARG A 650 -0.796 20.442 -17.063 1.00 25.00 N ATOM 882 CZ ARG A 650 0.001 21.449 -16.743 1.00 25.00 C ATOM 883 NH1 ARG A 650 -0.379 22.424 -15.955 1.00 25.00 N ATOM 884 NH2 ARG A 650 1.213 21.467 -17.221 1.00 25.00 N ATOM 0 H ARG A 650 -1.440 17.899 -19.175 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.409 15.657 -17.445 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.068 17.399 -15.775 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -0.780 18.010 -16.793 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -2.771 19.045 -18.275 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -3.753 18.788 -16.847 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.807 21.078 -16.857 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.193 20.166 -15.493 1.00 25.00 H new ATOM 0 HE ARG A 650 -0.420 19.743 -17.704 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -1.321 22.425 -15.563 1.00 25.00 H new ATOM 0 HH12 ARG A 650 0.267 23.182 -15.733 1.00 25.00 H new ATOM 0 HH21 ARG A 650 1.532 20.714 -17.830 1.00 25.00 H new ATOM 0 HH22 ARG A 650 1.843 22.234 -16.986 1.00 25.00 H new ATOM 898 N LEU A 651 -3.916 15.252 -16.960 1.00 25.00 N ATOM 899 CA LEU A 651 -5.333 15.239 -16.591 1.00 25.00 C ATOM 900 C LEU A 651 -5.524 14.581 -15.220 1.00 25.00 C ATOM 901 O LEU A 651 -4.704 13.752 -14.821 1.00 25.00 O ATOM 902 CB LEU A 651 -6.221 14.648 -17.693 1.00 25.00 C ATOM 903 CG LEU A 651 -6.968 15.658 -18.624 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.132 17.179 -18.081 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.320 15.701 -20.016 1.00 25.00 C ATOM 0 H LEU A 651 -3.361 14.478 -16.595 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.671 16.271 -16.494 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.601 14.006 -18.319 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.967 14.009 -17.220 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.980 15.254 -18.654 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -7.667 17.774 -18.821 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -7.693 17.173 -17.146 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.147 17.613 -17.910 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.857 16.410 -20.646 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.280 16.013 -19.924 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.363 14.710 -20.468 1.00 25.00 H new ATOM 917 N PRO A 652 -6.585 14.956 -14.471 1.00 25.00 N ATOM 918 CA PRO A 652 -6.760 14.378 -13.137 1.00 25.00 C ATOM 919 C PRO A 652 -7.359 12.986 -13.192 1.00 25.00 C ATOM 920 O PRO A 652 -7.915 12.600 -14.208 1.00 25.00 O ATOM 921 CB PRO A 652 -7.775 15.329 -12.498 1.00 25.00 C ATOM 922 CG PRO A 652 -8.649 15.704 -13.640 1.00 25.00 C ATOM 923 CD PRO A 652 -7.675 15.910 -14.772 1.00 25.00 C ATOM 0 HA PRO A 652 -5.815 14.279 -12.603 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.338 14.842 -11.702 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.290 16.200 -12.058 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.370 14.920 -13.868 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.218 16.609 -13.430 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.134 15.702 -15.739 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.311 16.937 -14.806 1.00 25.00 H new ATOM 931 N SER A 653 -7.280 12.252 -12.092 1.00 25.00 N ATOM 932 CA SER A 653 -7.883 10.921 -11.999 1.00 25.00 C ATOM 933 C SER A 653 -9.399 10.963 -12.202 1.00 25.00 C ATOM 934 O SER A 653 -10.016 9.962 -12.512 1.00 25.00 O ATOM 935 CB SER A 653 -7.586 10.352 -10.624 1.00 25.00 C ATOM 936 OG SER A 653 -7.963 11.276 -9.615 1.00 25.00 O ATOM 0 H SER A 653 -6.802 12.554 -11.243 1.00 25.00 H new ATOM 0 HA SER A 653 -7.458 10.298 -12.786 1.00 25.00 H new ATOM 0 HB2 SER A 653 -8.125 9.414 -10.487 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.523 10.124 -10.539 1.00 25.00 H new ATOM 0 HG SER A 653 -7.767 10.895 -8.733 1.00 25.00 H new ATOM 942 N GLY A 654 -9.984 12.143 -12.034 1.00 25.00 N ATOM 943 CA GLY A 654 -11.416 12.321 -12.221 1.00 25.00 C ATOM 944 C GLY A 654 -11.833 12.569 -13.669 1.00 25.00 C ATOM 945 O GLY A 654 -12.944 13.032 -13.912 1.00 25.00 O ATOM 0 H GLY A 654 -9.486 12.992 -11.768 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.932 11.434 -11.853 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.749 13.160 -11.610 1.00 25.00 H new ATOM 949 N SER A 655 -10.961 12.280 -14.627 1.00 25.00 N ATOM 950 CA SER A 655 -11.288 12.444 -16.049 1.00 25.00 C ATOM 951 C SER A 655 -11.281 11.034 -16.665 1.00 25.00 C ATOM 952 O SER A 655 -10.292 10.321 -16.555 1.00 25.00 O ATOM 953 CB SER A 655 -10.283 13.368 -16.759 1.00 25.00 C ATOM 954 OG SER A 655 -8.963 12.874 -16.677 1.00 25.00 O ATOM 0 H SER A 655 -10.019 11.930 -14.451 1.00 25.00 H new ATOM 0 HA SER A 655 -12.263 12.917 -16.167 1.00 25.00 H new ATOM 0 HB2 SER A 655 -10.566 13.475 -17.806 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.327 14.362 -16.314 1.00 25.00 H new ATOM 0 HG SER A 655 -8.629 12.983 -15.762 1.00 25.00 H new ATOM 960 N ASP A 656 -12.379 10.625 -17.284 1.00 25.00 N ATOM 961 CA ASP A 656 -12.483 9.272 -17.858 1.00 25.00 C ATOM 962 C ASP A 656 -12.310 9.283 -19.381 1.00 25.00 C ATOM 963 O ASP A 656 -12.384 8.247 -20.048 1.00 25.00 O ATOM 964 CB ASP A 656 -13.819 8.628 -17.514 1.00 25.00 C ATOM 965 CG ASP A 656 -14.916 9.014 -18.481 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.554 8.092 -19.045 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.136 10.223 -18.690 1.00 25.00 O ATOM 0 H ASP A 656 -13.212 11.200 -17.406 1.00 25.00 H new ATOM 0 HA ASP A 656 -11.675 8.687 -17.418 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -13.706 7.544 -17.512 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.110 8.920 -16.505 1.00 25.00 H new ATOM 972 N HIS A 657 -12.065 10.459 -19.932 1.00 25.00 N ATOM 973 CA HIS A 657 -11.809 10.606 -21.356 1.00 25.00 C ATOM 974 C HIS A 657 -10.935 11.835 -21.517 1.00 25.00 C ATOM 975 O HIS A 657 -10.838 12.660 -20.608 1.00 25.00 O ATOM 976 CB HIS A 657 -13.111 10.762 -22.151 1.00 25.00 C ATOM 977 CG HIS A 657 -13.790 12.080 -21.945 1.00 25.00 C ATOM 978 ND1 HIS A 657 -13.656 13.156 -22.788 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.638 12.501 -20.967 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.387 14.156 -22.306 1.00 25.00 C ATOM 981 NE2 HIS A 657 -15.007 13.813 -21.196 1.00 25.00 N ATOM 0 H HIS A 657 -12.038 11.335 -19.410 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.316 9.715 -21.745 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.895 10.637 -23.212 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.796 9.963 -21.869 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -14.973 11.899 -20.135 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -14.463 15.129 -22.768 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -15.626 14.391 -20.628 1.00 25.00 H new ATOM 989 N VAL A 658 -10.307 11.961 -22.672 1.00 25.00 N ATOM 990 CA VAL A 658 -9.481 13.120 -22.977 1.00 25.00 C ATOM 991 C VAL A 658 -9.705 13.454 -24.442 1.00 25.00 C ATOM 992 O VAL A 658 -9.827 12.562 -25.283 1.00 25.00 O ATOM 993 CB VAL A 658 -7.963 12.844 -22.658 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.462 11.573 -23.335 1.00 25.00 C ATOM 995 CG2 VAL A 658 -7.080 14.022 -23.078 1.00 25.00 C ATOM 0 H VAL A 658 -10.353 11.270 -23.421 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.762 13.969 -22.353 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.895 12.714 -21.578 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.411 11.420 -23.089 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -8.045 10.721 -22.985 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.572 11.669 -24.415 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -6.039 13.798 -22.844 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -7.183 14.190 -24.150 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.389 14.918 -22.540 1.00 25.00 H new ATOM 1005 N MET A 659 -9.765 14.739 -24.751 1.00 25.00 N ATOM 1006 CA MET A 659 -9.889 15.181 -26.128 1.00 25.00 C ATOM 1007 C MET A 659 -8.663 16.012 -26.438 1.00 25.00 C ATOM 1008 O MET A 659 -8.422 17.050 -25.821 1.00 25.00 O ATOM 1009 CB MET A 659 -11.171 15.974 -26.362 1.00 25.00 C ATOM 1010 CG MET A 659 -11.351 16.341 -27.822 1.00 25.00 C ATOM 1011 SD MET A 659 -13.056 16.630 -28.253 1.00 25.00 S ATOM 1012 CE MET A 659 -12.942 16.516 -30.044 1.00 25.00 C ATOM 0 H MET A 659 -9.730 15.494 -24.066 1.00 25.00 H new ATOM 0 HA MET A 659 -9.951 14.320 -26.793 1.00 25.00 H new ATOM 0 HB2 MET A 659 -12.027 15.388 -26.027 1.00 25.00 H new ATOM 0 HB3 MET A 659 -11.151 16.882 -25.759 1.00 25.00 H new ATOM 0 HG2 MET A 659 -10.768 17.235 -28.042 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.954 15.540 -28.445 1.00 25.00 H new ATOM 0 HE1 MET A 659 -13.885 16.144 -30.446 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.734 17.502 -30.459 1.00 25.00 H new ATOM 0 HE3 MET A 659 -12.138 15.832 -30.315 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.877 15.535 -27.386 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.657 16.214 -27.788 1.00 25.00 C ATOM 1024 C LEU A 660 -7.017 17.123 -28.929 1.00 25.00 C ATOM 1025 O LEU A 660 -7.998 16.880 -29.615 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.610 15.210 -28.259 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.105 14.224 -27.201 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.172 13.251 -27.881 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.379 14.939 -26.058 1.00 25.00 C ATOM 0 H LEU A 660 -8.064 14.672 -27.896 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.240 16.767 -26.947 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.029 14.640 -29.089 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.756 15.762 -28.651 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.956 13.704 -26.761 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.796 12.535 -27.150 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.710 12.719 -28.666 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.335 13.795 -28.319 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.037 14.205 -25.329 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.522 15.483 -26.455 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.061 15.639 -25.575 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.220 18.156 -29.135 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.433 19.115 -30.211 1.00 25.00 C ATOM 1043 C LYS A 661 -5.073 19.710 -30.495 1.00 25.00 C ATOM 1044 O LYS A 661 -4.111 19.301 -29.856 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.469 20.177 -29.819 1.00 25.00 C ATOM 1046 CG LYS A 661 -7.100 21.033 -28.617 1.00 25.00 C ATOM 1047 CD LYS A 661 -8.238 21.967 -28.291 1.00 25.00 C ATOM 1048 CE LYS A 661 -7.859 22.851 -27.130 1.00 25.00 C ATOM 1049 NZ LYS A 661 -8.991 23.771 -26.758 1.00 25.00 N ATOM 0 H LYS A 661 -5.402 18.357 -28.559 1.00 25.00 H new ATOM 0 HA LYS A 661 -6.843 18.642 -31.103 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.634 20.833 -30.674 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -8.416 19.678 -29.612 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -6.881 20.397 -27.759 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -6.197 21.605 -28.829 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -8.479 22.578 -29.161 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.132 21.394 -28.046 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -7.590 22.235 -26.272 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -6.978 23.439 -27.389 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -8.704 24.368 -25.957 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -9.230 24.374 -27.571 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -9.823 23.207 -26.489 1.00 25.00 H new ATOM 1063 N SER A 662 -5.000 20.643 -31.437 1.00 25.00 N ATOM 1064 CA SER A 662 -3.728 21.255 -31.858 1.00 25.00 C ATOM 1065 C SER A 662 -2.803 20.157 -32.380 1.00 25.00 C ATOM 1066 O SER A 662 -1.648 20.022 -31.972 1.00 25.00 O ATOM 1067 CB SER A 662 -3.082 22.051 -30.716 1.00 25.00 C ATOM 1068 OG SER A 662 -3.993 23.022 -30.215 1.00 25.00 O ATOM 0 H SER A 662 -5.815 21.002 -31.935 1.00 25.00 H new ATOM 0 HA SER A 662 -3.917 21.971 -32.658 1.00 25.00 H new ATOM 0 HB2 SER A 662 -2.784 21.374 -29.915 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.176 22.542 -31.072 1.00 25.00 H new ATOM 0 HG SER A 662 -3.570 23.522 -29.486 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.367 19.373 -33.287 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.708 18.236 -33.912 1.00 25.00 C ATOM 1076 C LEU A 663 -3.049 18.310 -35.395 1.00 25.00 C ATOM 1077 O LEU A 663 -4.000 19.001 -35.772 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.221 16.929 -33.277 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.752 16.724 -33.130 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.428 16.243 -34.403 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.997 15.710 -32.016 1.00 25.00 C ATOM 0 H LEU A 663 -4.322 19.514 -33.617 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.627 18.256 -33.771 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.831 16.099 -33.867 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.780 16.848 -32.284 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.188 17.696 -32.898 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.496 16.122 -34.224 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.273 16.975 -35.196 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.000 15.287 -34.703 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.069 15.552 -31.897 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.517 14.765 -32.272 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.580 16.087 -31.082 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.289 17.623 -36.232 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.541 17.650 -37.672 1.00 25.00 C ATOM 1095 C ASP A 664 -3.811 16.856 -37.922 1.00 25.00 C ATOM 1096 O ASP A 664 -4.010 15.813 -37.330 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.418 16.981 -38.477 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.070 17.702 -38.362 1.00 25.00 C ATOM 1099 OD1 ASP A 664 0.104 18.572 -37.489 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.841 17.373 -39.155 1.00 25.00 O ATOM 0 H ASP A 664 -1.499 17.044 -35.948 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.613 18.691 -37.987 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.301 15.952 -38.136 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.710 16.938 -39.526 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.666 17.334 -38.811 1.00 25.00 N ATOM 1106 CA TRP A 665 -5.882 16.593 -39.152 1.00 25.00 C ATOM 1107 C TRP A 665 -5.851 16.110 -40.600 1.00 25.00 C ATOM 1108 O TRP A 665 -6.400 15.059 -40.916 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.110 17.461 -38.888 1.00 25.00 C ATOM 1110 CG TRP A 665 -6.994 18.841 -39.451 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.471 19.936 -38.845 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.413 19.292 -40.754 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.529 21.032 -39.647 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.094 20.680 -40.841 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.014 18.662 -41.863 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.359 21.444 -41.993 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.276 19.426 -43.027 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -7.941 20.812 -43.078 1.00 25.00 C ATOM 0 H TRP A 665 -4.549 18.218 -39.306 1.00 25.00 H new ATOM 0 HA TRP A 665 -5.936 15.708 -38.518 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -7.988 16.975 -39.315 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.274 17.528 -37.812 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.059 19.937 -37.847 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.204 21.966 -39.398 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.271 17.614 -41.826 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.115 22.495 -42.029 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.734 18.955 -43.884 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.145 21.376 -43.976 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.196 16.865 -41.471 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.096 16.506 -42.892 1.00 25.00 C ATOM 1131 C ASN A 666 -3.850 15.659 -43.134 1.00 25.00 C ATOM 1132 O ASN A 666 -3.486 15.359 -44.267 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.020 17.774 -43.749 1.00 25.00 C ATOM 1134 CG ASN A 666 -5.394 17.522 -45.183 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -6.419 16.939 -45.473 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -4.567 17.969 -46.085 1.00 25.00 N ATOM 0 H ASN A 666 -4.722 17.734 -41.224 1.00 25.00 H new ATOM 0 HA ASN A 666 -5.981 15.933 -43.169 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.683 18.531 -43.331 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -4.008 18.178 -43.706 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -4.771 17.834 -47.075 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.716 18.454 -45.801 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.197 15.293 -42.044 1.00 25.00 N ATOM 1144 CA ALA A 667 -1.975 14.510 -42.072 1.00 25.00 C ATOM 1145 C ALA A 667 -2.044 13.627 -40.835 1.00 25.00 C ATOM 1146 O ALA A 667 -2.843 13.887 -39.939 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.744 15.424 -42.043 1.00 25.00 C ATOM 0 H ALA A 667 -3.506 15.535 -41.102 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.885 13.917 -42.982 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.161 14.817 -42.065 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.760 16.083 -42.911 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.757 16.023 -41.133 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.230 12.589 -40.806 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.257 11.616 -39.720 1.00 25.00 C ATOM 1155 C GLU A 668 -0.476 12.038 -38.495 1.00 25.00 C ATOM 1156 O GLU A 668 0.514 12.779 -38.570 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.760 10.249 -40.215 1.00 25.00 C ATOM 1158 CG GLU A 668 0.147 10.313 -41.440 1.00 25.00 C ATOM 1159 CD GLU A 668 0.607 8.942 -41.881 1.00 25.00 C ATOM 1160 OE1 GLU A 668 1.821 8.663 -41.802 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -0.250 8.144 -42.318 1.00 25.00 O ATOM 0 H GLU A 668 -0.535 12.393 -41.526 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.299 11.547 -39.408 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.222 9.757 -39.405 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.623 9.626 -40.449 1.00 25.00 H new ATOM 0 HG2 GLU A 668 -0.385 10.797 -42.259 1.00 25.00 H new ATOM 0 HG3 GLU A 668 1.016 10.931 -41.215 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.938 11.537 -37.360 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.311 11.795 -36.081 1.00 25.00 C ATOM 1170 C TYR A 669 -0.421 10.567 -35.206 1.00 25.00 C ATOM 1171 O TYR A 669 -1.294 9.727 -35.410 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.975 12.990 -35.397 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.434 12.818 -35.122 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.383 13.136 -36.105 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.885 12.347 -33.876 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.755 13.004 -35.853 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.263 12.212 -33.615 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.186 12.550 -34.611 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.520 12.449 -34.374 1.00 25.00 O ATOM 0 H TYR A 669 -1.762 10.938 -37.304 1.00 25.00 H new ATOM 0 HA TYR A 669 0.742 12.029 -36.241 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.462 13.184 -34.455 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.838 13.872 -36.022 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.051 13.488 -37.071 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.168 12.086 -33.112 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.474 13.253 -36.619 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.604 11.851 -32.656 1.00 25.00 H new ATOM 0 HH TYR A 669 -7.013 12.947 -35.060 1.00 25.00 H new ATOM 1189 N GLU A 670 0.474 10.475 -34.239 1.00 25.00 N ATOM 1190 CA GLU A 670 0.538 9.355 -33.312 1.00 25.00 C ATOM 1191 C GLU A 670 0.322 9.894 -31.904 1.00 25.00 C ATOM 1192 O GLU A 670 0.762 11.002 -31.570 1.00 25.00 O ATOM 1193 CB GLU A 670 1.899 8.644 -33.430 1.00 25.00 C ATOM 1194 CG GLU A 670 3.109 9.555 -33.165 1.00 25.00 C ATOM 1195 CD GLU A 670 4.442 8.869 -33.432 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.740 7.848 -32.783 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.202 9.368 -34.292 1.00 25.00 O ATOM 0 H GLU A 670 1.187 11.185 -34.072 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.235 8.622 -33.545 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.924 7.811 -32.727 1.00 25.00 H new ATOM 0 HB3 GLU A 670 1.990 8.220 -34.430 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.032 10.443 -33.792 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.082 9.893 -32.129 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.369 9.118 -31.084 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.681 9.510 -29.711 1.00 25.00 C ATOM 1206 C VAL A 671 -0.276 8.399 -28.764 1.00 25.00 C ATOM 1207 O VAL A 671 -0.637 7.259 -28.984 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.212 9.724 -29.541 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.563 10.088 -28.090 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.720 10.812 -30.496 1.00 25.00 C ATOM 0 H VAL A 671 -0.730 8.201 -31.346 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.143 10.432 -29.492 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.706 8.784 -29.788 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.640 10.232 -28.001 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.248 9.282 -27.427 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.050 11.009 -27.812 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.793 10.944 -30.359 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.209 11.751 -30.283 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.519 10.515 -31.525 1.00 25.00 H new ATOM 1220 N TYR A 672 0.451 8.742 -27.709 1.00 25.00 N ATOM 1221 CA TYR A 672 0.835 7.801 -26.658 1.00 25.00 C ATOM 1222 C TYR A 672 0.237 8.328 -25.372 1.00 25.00 C ATOM 1223 O TYR A 672 0.252 9.528 -25.129 1.00 25.00 O ATOM 1224 CB TYR A 672 2.354 7.726 -26.512 1.00 25.00 C ATOM 1225 CG TYR A 672 2.997 6.874 -27.570 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.447 5.572 -27.271 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.148 7.351 -28.882 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.030 4.756 -28.276 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.735 6.543 -29.885 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.172 5.255 -29.574 1.00 25.00 C ATOM 1231 OH TYR A 672 4.732 4.477 -30.552 1.00 25.00 O ATOM 0 H TYR A 672 0.795 9.690 -27.555 1.00 25.00 H new ATOM 0 HA TYR A 672 0.478 6.800 -26.899 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.770 8.733 -26.560 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.601 7.325 -25.529 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.347 5.191 -26.266 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.812 8.347 -29.129 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.362 3.756 -28.039 1.00 25.00 H new ATOM 0 HE2 TYR A 672 3.845 6.923 -30.890 1.00 25.00 H new ATOM 0 HH TYR A 672 4.754 4.977 -31.395 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.300 7.446 -24.549 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.940 7.854 -23.305 1.00 25.00 C ATOM 1243 C VAL A 673 -0.575 6.840 -22.231 1.00 25.00 C ATOM 1244 O VAL A 673 -0.479 5.637 -22.509 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.499 7.980 -23.510 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.063 6.773 -24.286 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.241 8.187 -22.170 1.00 25.00 C ATOM 0 H VAL A 673 -0.307 6.440 -24.717 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.589 8.837 -22.990 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.673 8.871 -24.113 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.139 6.891 -24.410 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.589 6.717 -25.266 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.860 5.857 -23.731 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.312 8.269 -22.356 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -3.051 7.338 -21.514 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.884 9.100 -21.694 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.361 7.327 -21.016 1.00 25.00 N ATOM 1258 CA VAL A 674 -0.070 6.480 -19.863 1.00 25.00 C ATOM 1259 C VAL A 674 -0.846 7.010 -18.666 1.00 25.00 C ATOM 1260 O VAL A 674 -1.231 8.185 -18.622 1.00 25.00 O ATOM 1261 CB VAL A 674 1.459 6.458 -19.498 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.267 5.800 -20.606 1.00 25.00 C ATOM 1263 CG2 VAL A 674 1.998 7.869 -19.238 1.00 25.00 C ATOM 0 H VAL A 674 -0.384 8.324 -20.800 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.363 5.462 -20.118 1.00 25.00 H new ATOM 0 HB VAL A 674 1.563 5.877 -18.582 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.322 5.795 -20.333 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.924 4.775 -20.747 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.135 6.358 -21.533 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.058 7.813 -18.989 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.867 8.479 -20.132 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.453 8.319 -18.408 1.00 25.00 H new ATOM 1273 N ALA A 675 -1.063 6.143 -17.692 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.713 6.514 -16.448 1.00 25.00 C ATOM 1275 C ALA A 675 -0.608 6.559 -15.404 1.00 25.00 C ATOM 1276 O ALA A 675 0.368 5.820 -15.504 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.777 5.485 -16.076 1.00 25.00 C ATOM 0 H ALA A 675 -0.793 5.161 -17.742 1.00 25.00 H new ATOM 0 HA ALA A 675 -2.222 7.475 -16.526 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.255 5.778 -15.141 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.526 5.434 -16.866 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.311 4.507 -15.955 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.767 7.408 -14.410 1.00 25.00 N ATOM 1284 CA GLU A 676 0.194 7.542 -13.326 1.00 25.00 C ATOM 1285 C GLU A 676 -0.597 7.317 -12.053 1.00 25.00 C ATOM 1286 O GLU A 676 -1.552 8.035 -11.797 1.00 25.00 O ATOM 1287 CB GLU A 676 0.794 8.956 -13.350 1.00 25.00 C ATOM 1288 CG GLU A 676 1.821 9.237 -12.268 1.00 25.00 C ATOM 1289 CD GLU A 676 1.683 10.648 -11.714 1.00 25.00 C ATOM 1290 OE1 GLU A 676 1.369 10.800 -10.511 1.00 25.00 O ATOM 1291 OE2 GLU A 676 1.881 11.610 -12.481 1.00 25.00 O ATOM 0 H GLU A 676 -1.571 8.030 -14.328 1.00 25.00 H new ATOM 0 HA GLU A 676 1.019 6.834 -13.409 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.259 9.120 -14.322 1.00 25.00 H new ATOM 0 HB3 GLU A 676 -0.016 9.679 -13.257 1.00 25.00 H new ATOM 0 HG2 GLU A 676 1.704 8.515 -11.459 1.00 25.00 H new ATOM 0 HG3 GLU A 676 2.824 9.102 -12.674 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.228 6.329 -11.255 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.932 6.062 -10.005 1.00 25.00 C ATOM 1300 C ASN A 677 0.071 6.290 -8.886 1.00 25.00 C ATOM 1301 O ASN A 677 1.239 6.535 -9.138 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.631 4.677 -10.006 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.845 3.590 -9.313 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.362 3.531 -9.380 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.545 2.712 -8.648 1.00 25.00 N ATOM 0 H ASN A 677 0.551 5.699 -11.446 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.772 6.741 -9.858 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.603 4.772 -9.522 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.816 4.376 -11.037 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -1.076 1.946 -8.164 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.561 2.791 -8.612 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.395 6.242 -7.655 1.00 25.00 N ATOM 1313 CA GLN A 678 0.447 6.570 -6.507 1.00 25.00 C ATOM 1314 C GLN A 678 1.571 5.547 -6.210 1.00 25.00 C ATOM 1315 O GLN A 678 2.324 5.709 -5.265 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.497 6.851 -5.327 1.00 25.00 C ATOM 1317 CG GLN A 678 0.066 7.758 -4.199 1.00 25.00 C ATOM 1318 CD GLN A 678 0.854 7.021 -3.120 1.00 25.00 C ATOM 1319 OE1 GLN A 678 1.918 7.459 -2.721 1.00 25.00 O ATOM 1320 NE2 GLN A 678 0.327 5.925 -2.637 1.00 25.00 N ATOM 0 H GLN A 678 -1.351 5.980 -7.417 1.00 25.00 H new ATOM 0 HA GLN A 678 1.036 7.460 -6.727 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.404 7.312 -5.717 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.788 5.897 -4.887 1.00 25.00 H new ATOM 0 HG2 GLN A 678 0.710 8.514 -4.647 1.00 25.00 H new ATOM 0 HG3 GLN A 678 -0.763 8.285 -3.728 1.00 25.00 H new ATOM 0 HE21 GLN A 678 -0.566 5.588 -2.996 1.00 25.00 H new ATOM 0 HE22 GLN A 678 0.810 5.408 -1.902 1.00 25.00 H new ATOM 1329 N GLN A 679 1.696 4.513 -7.034 1.00 25.00 N ATOM 1330 CA GLN A 679 2.768 3.527 -6.886 1.00 25.00 C ATOM 1331 C GLN A 679 3.681 3.403 -8.116 1.00 25.00 C ATOM 1332 O GLN A 679 4.757 2.823 -8.022 1.00 25.00 O ATOM 1333 CB GLN A 679 2.170 2.157 -6.589 1.00 25.00 C ATOM 1334 CG GLN A 679 2.375 1.713 -5.146 1.00 25.00 C ATOM 1335 CD GLN A 679 1.501 2.442 -4.120 1.00 25.00 C ATOM 1336 OE1 GLN A 679 1.870 2.548 -2.954 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.354 2.918 -4.531 1.00 25.00 N ATOM 0 H GLN A 679 1.067 4.333 -7.816 1.00 25.00 H new ATOM 0 HA GLN A 679 3.386 3.884 -6.062 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.102 2.179 -6.808 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.617 1.420 -7.256 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.176 0.644 -5.078 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.422 1.860 -4.881 1.00 25.00 H new ATOM 0 HE21 GLN A 679 0.078 2.812 -5.507 1.00 25.00 H new ATOM 0 HE22 GLN A 679 -0.265 3.395 -3.875 1.00 25.00 H new ATOM 1346 N GLY A 680 3.253 3.925 -9.257 1.00 25.00 N ATOM 1347 CA GLY A 680 4.024 3.788 -10.481 1.00 25.00 C ATOM 1348 C GLY A 680 3.204 4.208 -11.687 1.00 25.00 C ATOM 1349 O GLY A 680 2.241 4.958 -11.540 1.00 25.00 O ATOM 0 H GLY A 680 2.381 4.444 -9.359 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.925 4.398 -10.418 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.347 2.754 -10.598 1.00 25.00 H new ATOM 1353 N LYS A 681 3.567 3.754 -12.880 1.00 25.00 N ATOM 1354 CA LYS A 681 2.866 4.171 -14.104 1.00 25.00 C ATOM 1355 C LYS A 681 2.468 2.993 -14.969 1.00 25.00 C ATOM 1356 O LYS A 681 2.974 1.897 -14.821 1.00 25.00 O ATOM 1357 CB LYS A 681 3.722 5.146 -14.915 1.00 25.00 C ATOM 1358 CG LYS A 681 4.025 6.433 -14.159 1.00 25.00 C ATOM 1359 CD LYS A 681 4.439 7.569 -15.082 1.00 25.00 C ATOM 1360 CE LYS A 681 5.740 7.256 -15.800 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.296 8.484 -16.460 1.00 25.00 N ATOM 0 H LYS A 681 4.336 3.102 -13.034 1.00 25.00 H new ATOM 0 HA LYS A 681 1.952 4.672 -13.786 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.659 4.660 -15.187 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.207 5.388 -15.845 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.144 6.733 -13.592 1.00 25.00 H new ATOM 0 HG3 LYS A 681 4.821 6.248 -13.437 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.652 7.749 -15.814 1.00 25.00 H new ATOM 0 HD3 LYS A 681 4.553 8.486 -14.504 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.466 6.860 -15.090 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.570 6.481 -16.548 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.185 8.246 -16.944 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.610 8.846 -17.153 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.478 9.212 -15.740 1.00 25.00 H new ATOM 1375 N SER A 682 1.536 3.240 -15.872 1.00 25.00 N ATOM 1376 CA SER A 682 1.015 2.188 -16.731 1.00 25.00 C ATOM 1377 C SER A 682 1.865 2.005 -17.965 1.00 25.00 C ATOM 1378 O SER A 682 2.645 2.885 -18.343 1.00 25.00 O ATOM 1379 CB SER A 682 -0.411 2.525 -17.174 1.00 25.00 C ATOM 1380 OG SER A 682 -0.409 3.412 -18.284 1.00 25.00 O ATOM 0 H SER A 682 1.123 4.159 -16.031 1.00 25.00 H new ATOM 0 HA SER A 682 1.027 1.265 -16.151 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.938 1.609 -17.439 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.955 2.978 -16.345 1.00 25.00 H new ATOM 0 HG SER A 682 -0.259 2.904 -19.108 1.00 25.00 H new ATOM 1386 N LYS A 683 1.690 0.869 -18.625 1.00 25.00 N ATOM 1387 CA LYS A 683 2.346 0.641 -19.905 1.00 25.00 C ATOM 1388 C LYS A 683 1.670 1.596 -20.877 1.00 25.00 C ATOM 1389 O LYS A 683 0.485 1.890 -20.728 1.00 25.00 O ATOM 1390 CB LYS A 683 2.159 -0.803 -20.372 1.00 25.00 C ATOM 1391 CG LYS A 683 3.171 -1.230 -21.445 1.00 25.00 C ATOM 1392 CD LYS A 683 2.954 -2.668 -21.925 1.00 25.00 C ATOM 1393 CE LYS A 683 3.341 -3.696 -20.855 1.00 25.00 C ATOM 1394 NZ LYS A 683 3.269 -5.099 -21.395 1.00 25.00 N ATOM 0 H LYS A 683 1.106 0.098 -18.300 1.00 25.00 H new ATOM 0 HA LYS A 683 3.421 0.810 -19.836 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.247 -1.469 -19.514 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.150 -0.922 -20.766 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.099 -0.553 -22.296 1.00 25.00 H new ATOM 0 HG3 LYS A 683 4.180 -1.133 -21.045 1.00 25.00 H new ATOM 0 HD2 LYS A 683 1.908 -2.805 -22.198 1.00 25.00 H new ATOM 0 HD3 LYS A 683 3.543 -2.842 -22.825 1.00 25.00 H new ATOM 0 HE2 LYS A 683 4.351 -3.492 -20.500 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.676 -3.599 -19.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 3.536 -5.772 -20.649 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.299 -5.300 -21.711 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 3.922 -5.196 -22.198 1.00 25.00 H new ATOM 1408 N ALA A 684 2.410 2.086 -21.853 1.00 25.00 N ATOM 1409 CA ALA A 684 1.852 2.993 -22.840 1.00 25.00 C ATOM 1410 C ALA A 684 0.960 2.251 -23.827 1.00 25.00 C ATOM 1411 O ALA A 684 1.203 1.084 -24.144 1.00 25.00 O ATOM 1412 CB ALA A 684 2.987 3.684 -23.589 1.00 25.00 C ATOM 0 H ALA A 684 3.399 1.872 -21.984 1.00 25.00 H new ATOM 0 HA ALA A 684 1.242 3.734 -22.324 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.571 4.366 -24.331 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.600 4.245 -22.884 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.602 2.935 -24.088 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.040 2.954 -24.330 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.884 2.459 -25.406 1.00 25.00 C ATOM 1420 C ALA A 685 -0.780 3.563 -26.448 1.00 25.00 C ATOM 1421 O ALA A 685 -0.628 4.733 -26.078 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.328 2.266 -24.937 1.00 25.00 C ATOM 0 H ALA A 685 -0.291 3.887 -24.003 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.578 1.483 -25.782 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.933 1.895 -25.765 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.352 1.546 -24.119 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.729 3.219 -24.593 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.834 3.205 -27.721 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.699 4.178 -28.795 1.00 25.00 C ATOM 1430 C HIS A 686 -1.607 3.901 -29.977 1.00 25.00 C ATOM 1431 O HIS A 686 -1.929 2.750 -30.261 1.00 25.00 O ATOM 1432 CB HIS A 686 0.748 4.261 -29.273 1.00 25.00 C ATOM 1433 CG HIS A 686 1.247 3.008 -29.924 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.771 1.935 -29.247 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.310 2.659 -31.240 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.117 1.010 -30.137 1.00 25.00 C ATOM 1437 NE2 HIS A 686 1.857 1.396 -31.368 1.00 25.00 N ATOM 0 H HIS A 686 -0.971 2.245 -28.037 1.00 25.00 H new ATOM 0 HA HIS A 686 -1.006 5.133 -28.369 1.00 25.00 H new ATOM 0 HB2 HIS A 686 0.840 5.086 -29.979 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.388 4.496 -28.423 1.00 25.00 H new ATOM 0 HD2 HIS A 686 0.981 3.278 -32.062 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.558 0.058 -29.881 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.023 0.876 -32.230 1.00 25.00 H new ATOM 1445 N PHE A 687 -2.025 4.964 -30.651 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.860 4.840 -31.842 1.00 25.00 C ATOM 1447 C PHE A 687 -2.491 5.951 -32.826 1.00 25.00 C ATOM 1448 O PHE A 687 -1.925 6.974 -32.428 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.353 4.850 -31.477 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.959 6.219 -31.342 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.774 6.980 -30.173 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.744 6.749 -32.382 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.381 8.257 -30.037 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.343 8.018 -32.262 1.00 25.00 C ATOM 1455 CZ PHE A 687 -6.168 8.773 -31.085 1.00 25.00 C ATOM 0 H PHE A 687 -1.800 5.925 -30.394 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.674 3.880 -32.323 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.903 4.298 -32.239 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.487 4.314 -30.537 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.165 6.589 -29.371 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.889 6.175 -33.285 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.240 8.830 -29.133 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.937 8.413 -33.073 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.635 9.742 -30.987 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.792 5.729 -34.101 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.450 6.657 -35.187 1.00 25.00 C ATOM 1467 C VAL A 688 -3.750 6.989 -35.919 1.00 25.00 C ATOM 1468 O VAL A 688 -4.602 6.113 -36.071 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.420 5.992 -36.172 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -1.054 6.929 -37.340 1.00 25.00 C ATOM 1471 CG2 VAL A 688 -0.137 5.595 -35.415 1.00 25.00 C ATOM 0 H VAL A 688 -3.285 4.894 -34.418 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.987 7.561 -34.792 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.897 5.103 -36.585 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.340 6.431 -37.996 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.954 7.177 -37.903 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.609 7.843 -36.947 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.567 5.136 -36.109 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.315 6.483 -34.974 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.385 4.885 -34.626 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.916 8.232 -36.357 1.00 25.00 N ATOM 1482 CA PHE A 689 -5.150 8.657 -37.025 1.00 25.00 C ATOM 1483 C PHE A 689 -4.898 9.847 -37.954 1.00 25.00 C ATOM 1484 O PHE A 689 -3.927 10.579 -37.780 1.00 25.00 O ATOM 1485 CB PHE A 689 -6.178 9.056 -35.949 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.537 9.421 -36.501 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.869 10.768 -36.758 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.495 8.425 -36.758 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.139 11.120 -37.274 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.771 8.764 -37.278 1.00 25.00 C ATOM 1491 CZ PHE A 689 -10.089 10.115 -37.539 1.00 25.00 C ATOM 0 H PHE A 689 -3.214 8.966 -36.264 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.525 7.831 -37.630 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.292 8.230 -35.247 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.787 9.903 -35.384 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.143 11.542 -36.558 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.257 7.391 -36.558 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.379 12.156 -37.464 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.498 7.990 -37.474 1.00 25.00 H new ATOM 0 HZ PHE A 689 -11.057 10.376 -37.940 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.797 10.038 -38.916 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.844 11.223 -39.782 1.00 25.00 C ATOM 1503 C ARG A 690 -7.260 11.257 -40.322 1.00 25.00 C ATOM 1504 O ARG A 690 -7.944 10.238 -40.291 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.808 11.174 -40.920 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.808 9.938 -41.840 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.851 9.994 -42.984 1.00 25.00 C ATOM 1508 NE ARG A 690 -5.817 11.267 -43.734 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.951 11.589 -44.687 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -3.987 10.787 -45.068 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -5.060 12.750 -45.264 1.00 25.00 N ATOM 0 H ARG A 690 -6.531 9.361 -39.123 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.591 12.124 -39.224 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -4.954 12.056 -41.544 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.817 11.260 -40.474 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.815 9.823 -42.275 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.996 9.050 -41.236 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.672 9.168 -43.672 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -6.848 9.851 -42.567 1.00 25.00 H new ATOM 0 HE ARG A 690 -6.525 11.963 -43.497 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -3.880 9.873 -44.627 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -3.344 11.077 -45.805 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -5.800 13.392 -44.982 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -4.405 13.018 -45.999 1.00 25.00 H new ATOM 1525 N THR A 691 -7.696 12.398 -40.823 1.00 25.00 N ATOM 1526 CA THR A 691 -9.031 12.532 -41.410 1.00 25.00 C ATOM 1527 C THR A 691 -8.806 13.192 -42.766 1.00 25.00 C ATOM 1528 O THR A 691 -7.655 13.408 -43.142 1.00 25.00 O ATOM 1529 CB THR A 691 -10.008 13.328 -40.486 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.325 13.303 -41.042 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.586 14.775 -40.304 1.00 25.00 C ATOM 0 H THR A 691 -7.145 13.256 -40.838 1.00 25.00 H new ATOM 0 HA THR A 691 -9.523 11.567 -41.527 1.00 25.00 H new ATOM 0 HB THR A 691 -9.988 12.844 -39.509 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.936 13.801 -40.460 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.298 15.283 -39.654 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.594 14.811 -39.853 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.562 15.272 -41.274 1.00 25.00 H new ATOM 1539 N HIS A 692 -9.879 13.482 -43.495 1.00 25.00 N ATOM 1540 CA HIS A 692 -9.793 14.064 -44.841 1.00 25.00 C ATOM 1541 C HIS A 692 -8.828 13.279 -45.729 1.00 25.00 C ATOM 1542 O HIS A 692 -7.753 13.747 -46.087 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.398 15.545 -44.789 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.538 16.449 -44.443 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.564 16.756 -45.302 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -10.816 17.131 -43.299 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -12.395 17.584 -44.674 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -11.981 17.852 -43.452 1.00 25.00 N ATOM 0 H HIS A 692 -10.834 13.323 -43.175 1.00 25.00 H new ATOM 0 HA HIS A 692 -10.787 13.997 -45.283 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -8.603 15.676 -44.055 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.990 15.839 -45.756 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -10.213 17.111 -42.403 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -13.297 17.986 -45.111 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -12.427 18.462 -42.767 1.00 25.00 H new