USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=22 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 678 GLN : amide:sc= 0.183 X(o=-0.48,f=-0.65) USER MOD Set 1.2: A 679 GLN : amide:sc= -0.667 X(o=-0.48,f=-0.17) USER MOD Set 2.1: A 646 LYS NZ :NH3+ 165:sc= 0.835 (180deg=0.678) USER MOD Set 2.2: A 662 SER OG : rot -53:sc= 0.00153 USER MOD Set 3.1: A 629 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 677 ASN : amide:sc= -1.12! C(o=-1.1!,f=-11!) USER MOD Set 4.1: A 620 ASN : amide:sc= -0.141 K(o=1.2,f=-2.5) USER MOD Set 4.2: A 623 LYS NZ :NH3+ -104:sc= 1.29 (180deg=1.06) USER MOD Set 5.1: A 616 SER OG : rot 93:sc= 0.904 USER MOD Set 5.2: A 661 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.981) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ -158:sc= 0.66 (180deg=0.204) USER MOD Single : A 609 GLN : amide:sc= -0.134 K(o=-0.13,f=-4.4!) USER MOD Single : A 610 MET CE :methyl -169:sc= 0 (180deg=-0.299) USER MOD Single : A 615 ASN : amide:sc= 0.604 K(o=0.6,f=-0.47) USER MOD Single : A 618 LYS NZ :NH3+ -116:sc= 0.831 (180deg=-0.172!) USER MOD Single : A 624 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.65) USER MOD Single : A 633 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.11) USER MOD Single : A 634 TYR OH : rot 81:sc= 1.02 USER MOD Single : A 638 TYR OH : rot 47:sc= 1.23 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 75:sc= 1.2 USER MOD Single : A 653 SER OG : rot -48:sc= 0.777 USER MOD Single : A 655 SER OG : rot -89:sc= 0.406 USER MOD Single : A 657 HIS : no HE2:sc= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 659 MET CE :methyl 144:sc= -0.0564 (180deg=-2.72!) USER MOD Single : A 666 ASN : amide:sc=-0.00145 K(o=-0.0015,f=-1.2) USER MOD Single : A 669 TYR OH : rot 66:sc= 0.0179 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 SER OG : rot 83:sc= 1.32 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= 0.119 USER MOD Single : A 692 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 -0.112 -3.125 -3.579 1.00 25.00 N ATOM 52 CA VAL A 598 -0.639 -2.395 -4.737 1.00 25.00 C ATOM 53 C VAL A 598 0.319 -2.532 -5.918 1.00 25.00 C ATOM 54 O VAL A 598 1.527 -2.358 -5.789 1.00 25.00 O ATOM 55 CB VAL A 598 -0.939 -0.881 -4.384 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.122 -0.413 -3.170 1.00 25.00 C ATOM 57 CG2 VAL A 598 -0.680 0.056 -5.583 1.00 25.00 C ATOM 0 HA VAL A 598 -1.594 -2.837 -5.023 1.00 25.00 H new ATOM 0 HB VAL A 598 -1.999 -0.828 -4.134 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.353 0.631 -2.956 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.374 -1.025 -2.304 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.942 -0.512 -3.387 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -0.899 1.084 -5.295 1.00 25.00 H new ATOM 0 HG22 VAL A 598 0.364 -0.021 -5.886 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.322 -0.232 -6.415 1.00 25.00 H new ATOM 67 N ARG A 599 -0.246 -2.862 -7.071 1.00 25.00 N ATOM 68 CA ARG A 599 0.514 -3.048 -8.303 1.00 25.00 C ATOM 69 C ARG A 599 0.383 -1.801 -9.165 1.00 25.00 C ATOM 70 O ARG A 599 -0.497 -0.963 -8.931 1.00 25.00 O ATOM 71 CB ARG A 599 -0.028 -4.277 -9.043 1.00 25.00 C ATOM 72 CG ARG A 599 -1.520 -4.160 -9.391 1.00 25.00 C ATOM 73 CD ARG A 599 -2.118 -5.476 -9.878 1.00 25.00 C ATOM 74 NE ARG A 599 -2.141 -6.488 -8.803 1.00 25.00 N ATOM 75 CZ ARG A 599 -3.079 -6.604 -7.864 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.125 -5.819 -7.792 1.00 25.00 N ATOM 77 NH2 ARG A 599 -2.952 -7.537 -6.963 1.00 25.00 N ATOM 0 H ARG A 599 -1.249 -3.009 -7.180 1.00 25.00 H new ATOM 0 HA ARG A 599 1.568 -3.208 -8.078 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.543 -4.423 -9.960 1.00 25.00 H new ATOM 0 HB3 ARG A 599 0.127 -5.163 -8.427 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.068 -3.820 -8.512 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.650 -3.400 -10.161 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -3.132 -5.305 -10.240 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.538 -5.851 -10.721 1.00 25.00 H new ATOM 0 HE ARG A 599 -1.371 -7.157 -8.777 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -4.251 -5.074 -8.477 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -4.813 -5.953 -7.051 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -2.146 -8.161 -6.985 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -3.659 -7.643 -6.235 1.00 25.00 H new ATOM 91 N GLU A 600 1.247 -1.690 -10.159 1.00 25.00 N ATOM 92 CA GLU A 600 1.213 -0.567 -11.091 1.00 25.00 C ATOM 93 C GLU A 600 -0.071 -0.650 -11.932 1.00 25.00 C ATOM 94 O GLU A 600 -0.661 -1.729 -12.067 1.00 25.00 O ATOM 95 CB GLU A 600 2.451 -0.601 -11.995 1.00 25.00 C ATOM 96 CG GLU A 600 3.740 -0.322 -11.244 1.00 25.00 C ATOM 97 CD GLU A 600 4.900 -0.003 -12.179 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.405 -0.934 -12.841 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.314 1.183 -12.243 1.00 25.00 O ATOM 0 H GLU A 600 1.987 -2.367 -10.345 1.00 25.00 H new ATOM 0 HA GLU A 600 1.218 0.372 -10.538 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.519 -1.579 -12.472 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.334 0.135 -12.791 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.586 0.514 -10.562 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.996 -1.188 -10.634 1.00 25.00 H new ATOM 106 N PRO A 601 -0.530 0.486 -12.490 1.00 25.00 N ATOM 107 CA PRO A 601 -1.770 0.429 -13.272 1.00 25.00 C ATOM 108 C PRO A 601 -1.642 -0.250 -14.634 1.00 25.00 C ATOM 109 O PRO A 601 -0.565 -0.359 -15.219 1.00 25.00 O ATOM 110 CB PRO A 601 -2.140 1.905 -13.437 1.00 25.00 C ATOM 111 CG PRO A 601 -0.871 2.632 -13.345 1.00 25.00 C ATOM 112 CD PRO A 601 0.018 1.855 -12.436 1.00 25.00 C ATOM 0 HA PRO A 601 -2.518 -0.179 -12.764 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.628 2.084 -14.395 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.835 2.226 -12.661 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.416 2.738 -14.330 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.031 3.638 -12.958 1.00 25.00 H new ATOM 0 HD2 PRO A 601 1.055 1.884 -12.770 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.001 2.253 -11.422 1.00 25.00 H new ATOM 120 N SER A 602 -2.782 -0.694 -15.132 1.00 25.00 N ATOM 121 CA SER A 602 -2.893 -1.333 -16.434 1.00 25.00 C ATOM 122 C SER A 602 -2.851 -0.247 -17.499 1.00 25.00 C ATOM 123 O SER A 602 -3.158 0.913 -17.224 1.00 25.00 O ATOM 124 CB SER A 602 -4.190 -2.134 -16.537 1.00 25.00 C ATOM 125 OG SER A 602 -4.222 -2.895 -17.737 1.00 25.00 O ATOM 0 H SER A 602 -3.671 -0.620 -14.637 1.00 25.00 H new ATOM 0 HA SER A 602 -2.067 -2.030 -16.576 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.281 -2.798 -15.678 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.044 -1.457 -16.508 1.00 25.00 H new ATOM 0 HG SER A 602 -5.060 -3.401 -17.781 1.00 25.00 H new ATOM 131 N ALA A 603 -2.439 -0.615 -18.704 1.00 25.00 N ATOM 132 CA ALA A 603 -2.361 0.334 -19.808 1.00 25.00 C ATOM 133 C ALA A 603 -3.742 0.996 -20.019 1.00 25.00 C ATOM 134 O ALA A 603 -4.786 0.347 -19.849 1.00 25.00 O ATOM 135 CB ALA A 603 -1.904 -0.389 -21.090 1.00 25.00 C ATOM 0 H ALA A 603 -2.153 -1.564 -18.943 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.632 1.109 -19.571 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -1.848 0.326 -21.911 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -0.922 -0.832 -20.927 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.619 -1.173 -21.340 1.00 25.00 H new ATOM 141 N PRO A 604 -3.762 2.292 -20.383 1.00 25.00 N ATOM 142 CA PRO A 604 -5.055 2.964 -20.552 1.00 25.00 C ATOM 143 C PRO A 604 -5.881 2.409 -21.707 1.00 25.00 C ATOM 144 O PRO A 604 -5.361 1.796 -22.637 1.00 25.00 O ATOM 145 CB PRO A 604 -4.654 4.422 -20.786 1.00 25.00 C ATOM 146 CG PRO A 604 -3.318 4.334 -21.366 1.00 25.00 C ATOM 147 CD PRO A 604 -2.649 3.220 -20.648 1.00 25.00 C ATOM 0 HA PRO A 604 -5.707 2.822 -19.690 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.349 4.924 -21.460 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.648 4.988 -19.855 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.367 4.138 -22.437 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.772 5.268 -21.238 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -1.871 2.757 -21.254 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.176 3.558 -19.726 1.00 25.00 H new ATOM 155 N LYS A 605 -7.185 2.626 -21.617 1.00 25.00 N ATOM 156 CA LYS A 605 -8.130 2.115 -22.611 1.00 25.00 C ATOM 157 C LYS A 605 -7.996 2.969 -23.863 1.00 25.00 C ATOM 158 O LYS A 605 -7.565 4.105 -23.777 1.00 25.00 O ATOM 159 CB LYS A 605 -9.570 2.194 -22.071 1.00 25.00 C ATOM 160 CG LYS A 605 -9.924 1.146 -20.987 1.00 25.00 C ATOM 161 CD LYS A 605 -9.491 1.547 -19.557 1.00 25.00 C ATOM 162 CE LYS A 605 -8.228 0.794 -19.100 1.00 25.00 C ATOM 163 NZ LYS A 605 -8.464 -0.033 -17.877 1.00 25.00 N ATOM 0 H LYS A 605 -7.619 3.156 -20.862 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.911 1.071 -22.836 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.733 3.190 -21.658 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.261 2.078 -22.906 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -11.001 0.979 -20.996 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.453 0.198 -21.246 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -9.304 2.620 -19.523 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -10.305 1.343 -18.862 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -7.881 0.150 -19.908 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -7.433 1.513 -18.901 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -7.558 -0.212 -17.399 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -9.102 0.476 -17.232 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -8.897 -0.939 -18.149 1.00 25.00 H new ATOM 177 N LEU A 606 -8.374 2.439 -25.018 1.00 25.00 N ATOM 178 CA LEU A 606 -8.317 3.210 -26.257 1.00 25.00 C ATOM 179 C LEU A 606 -9.381 2.714 -27.230 1.00 25.00 C ATOM 180 O LEU A 606 -9.525 1.517 -27.426 1.00 25.00 O ATOM 181 CB LEU A 606 -6.912 3.090 -26.884 1.00 25.00 C ATOM 182 CG LEU A 606 -6.538 3.985 -28.088 1.00 25.00 C ATOM 183 CD1 LEU A 606 -6.964 3.369 -29.423 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.115 5.401 -27.943 1.00 25.00 C ATOM 0 H LEU A 606 -8.721 1.486 -25.125 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.513 4.259 -26.036 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.185 3.282 -26.095 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.780 2.053 -27.194 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.450 4.057 -28.089 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.680 4.035 -30.238 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.471 2.405 -29.553 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.045 3.228 -29.430 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.831 6.000 -28.808 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.202 5.346 -27.881 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.722 5.863 -27.037 1.00 25.00 H new ATOM 196 N GLU A 607 -10.105 3.646 -27.838 1.00 25.00 N ATOM 197 CA GLU A 607 -11.109 3.327 -28.863 1.00 25.00 C ATOM 198 C GLU A 607 -10.837 4.095 -30.168 1.00 25.00 C ATOM 199 O GLU A 607 -11.322 3.710 -31.221 1.00 25.00 O ATOM 200 CB GLU A 607 -12.506 3.680 -28.355 1.00 25.00 C ATOM 201 CG GLU A 607 -13.033 2.762 -27.264 1.00 25.00 C ATOM 202 CD GLU A 607 -14.352 3.264 -26.688 1.00 25.00 C ATOM 203 OE1 GLU A 607 -14.906 2.594 -25.794 1.00 25.00 O ATOM 204 OE2 GLU A 607 -14.823 4.347 -27.114 1.00 25.00 O ATOM 0 H GLU A 607 -10.018 4.643 -27.640 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.048 2.258 -29.068 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.493 4.702 -27.977 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.200 3.660 -29.195 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -13.172 1.759 -27.669 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -12.294 2.685 -26.466 1.00 25.00 H new ATOM 211 N GLY A 608 -10.056 5.170 -30.098 1.00 25.00 N ATOM 212 CA GLY A 608 -9.744 5.955 -31.289 1.00 25.00 C ATOM 213 C GLY A 608 -10.970 6.690 -31.797 1.00 25.00 C ATOM 214 O GLY A 608 -11.324 6.612 -32.970 1.00 25.00 O ATOM 0 H GLY A 608 -9.631 5.515 -29.237 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -8.956 6.672 -31.059 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.360 5.299 -32.070 1.00 25.00 H new ATOM 218 N GLN A 609 -11.636 7.397 -30.898 1.00 25.00 N ATOM 219 CA GLN A 609 -12.895 8.050 -31.221 1.00 25.00 C ATOM 220 C GLN A 609 -12.639 9.292 -32.074 1.00 25.00 C ATOM 221 O GLN A 609 -12.021 10.245 -31.612 1.00 25.00 O ATOM 222 CB GLN A 609 -13.623 8.434 -29.930 1.00 25.00 C ATOM 223 CG GLN A 609 -13.763 7.291 -28.915 1.00 25.00 C ATOM 224 CD GLN A 609 -12.761 7.392 -27.775 1.00 25.00 C ATOM 225 OE1 GLN A 609 -11.591 7.008 -27.888 1.00 25.00 O ATOM 226 NE2 GLN A 609 -13.217 7.907 -26.670 1.00 25.00 N ATOM 0 H GLN A 609 -11.325 7.534 -29.936 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.520 7.361 -31.789 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.089 9.259 -29.458 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.617 8.802 -30.184 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -14.774 7.295 -28.506 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -13.630 6.338 -29.427 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -14.188 8.213 -26.613 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -12.603 8.004 -25.861 1.00 25.00 H new ATOM 235 N MET A 610 -13.108 9.261 -33.314 1.00 25.00 N ATOM 236 CA MET A 610 -12.893 10.346 -34.282 1.00 25.00 C ATOM 237 C MET A 610 -13.290 11.718 -33.719 1.00 25.00 C ATOM 238 O MET A 610 -14.347 11.869 -33.106 1.00 25.00 O ATOM 239 CB MET A 610 -13.703 10.038 -35.553 1.00 25.00 C ATOM 240 CG MET A 610 -13.129 10.603 -36.864 1.00 25.00 C ATOM 241 SD MET A 610 -13.236 12.392 -37.062 1.00 25.00 S ATOM 242 CE MET A 610 -15.013 12.645 -37.270 1.00 25.00 C ATOM 0 H MET A 610 -13.652 8.482 -33.686 1.00 25.00 H new ATOM 0 HA MET A 610 -11.828 10.397 -34.510 1.00 25.00 H new ATOM 0 HB2 MET A 610 -13.790 8.956 -35.653 1.00 25.00 H new ATOM 0 HB3 MET A 610 -14.712 10.428 -35.422 1.00 25.00 H new ATOM 0 HG2 MET A 610 -12.081 10.311 -36.935 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.649 10.132 -37.699 1.00 25.00 H new ATOM 0 HE1 MET A 610 -15.199 13.669 -37.594 1.00 25.00 H new ATOM 0 HE2 MET A 610 -15.394 11.952 -38.020 1.00 25.00 H new ATOM 0 HE3 MET A 610 -15.519 12.467 -36.321 1.00 25.00 H new ATOM 252 N GLY A 611 -12.429 12.708 -33.923 1.00 25.00 N ATOM 253 CA GLY A 611 -12.688 14.056 -33.440 1.00 25.00 C ATOM 254 C GLY A 611 -13.512 14.865 -34.416 1.00 25.00 C ATOM 255 O GLY A 611 -12.997 15.381 -35.402 1.00 25.00 O ATOM 0 H GLY A 611 -11.545 12.601 -34.420 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.209 14.004 -32.484 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.740 14.564 -33.259 1.00 25.00 H new ATOM 259 N GLU A 612 -14.796 14.980 -34.123 1.00 25.00 N ATOM 260 CA GLU A 612 -15.751 15.696 -34.971 1.00 25.00 C ATOM 261 C GLU A 612 -15.453 17.193 -35.065 1.00 25.00 C ATOM 262 O GLU A 612 -15.854 17.849 -36.019 1.00 25.00 O ATOM 263 CB GLU A 612 -17.186 15.472 -34.455 1.00 25.00 C ATOM 264 CG GLU A 612 -17.475 15.984 -33.022 1.00 25.00 C ATOM 265 CD GLU A 612 -16.998 15.022 -31.933 1.00 25.00 C ATOM 266 OE1 GLU A 612 -15.807 15.081 -31.534 1.00 25.00 O ATOM 267 OE2 GLU A 612 -17.806 14.190 -31.471 1.00 25.00 O ATOM 0 H GLU A 612 -15.215 14.578 -33.284 1.00 25.00 H new ATOM 0 HA GLU A 612 -15.652 15.289 -35.977 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.879 15.959 -35.141 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.402 14.404 -34.489 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -16.989 16.950 -32.883 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -18.547 16.147 -32.910 1.00 25.00 H new ATOM 274 N ASP A 613 -14.735 17.720 -34.082 1.00 25.00 N ATOM 275 CA ASP A 613 -14.349 19.137 -34.069 1.00 25.00 C ATOM 276 C ASP A 613 -13.377 19.461 -35.204 1.00 25.00 C ATOM 277 O ASP A 613 -13.248 20.611 -35.622 1.00 25.00 O ATOM 278 CB ASP A 613 -13.618 19.479 -32.761 1.00 25.00 C ATOM 279 CG ASP A 613 -14.517 19.443 -31.540 1.00 25.00 C ATOM 280 OD1 ASP A 613 -13.946 19.351 -30.425 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.750 19.515 -31.660 1.00 25.00 O ATOM 0 H ASP A 613 -14.404 17.190 -33.276 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.269 19.712 -34.177 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -12.796 18.777 -32.619 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.177 20.472 -32.849 1.00 25.00 H new ATOM 286 N GLY A 614 -12.669 18.440 -35.672 1.00 25.00 N ATOM 287 CA GLY A 614 -11.602 18.635 -36.641 1.00 25.00 C ATOM 288 C GLY A 614 -10.366 19.131 -35.908 1.00 25.00 C ATOM 289 O GLY A 614 -10.485 19.753 -34.853 1.00 25.00 O ATOM 0 H GLY A 614 -12.816 17.469 -35.395 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.385 17.700 -37.158 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -11.907 19.356 -37.399 1.00 25.00 H new ATOM 293 N ASN A 615 -9.175 18.842 -36.436 1.00 25.00 N ATOM 294 CA ASN A 615 -7.901 19.237 -35.791 1.00 25.00 C ATOM 295 C ASN A 615 -7.864 18.721 -34.330 1.00 25.00 C ATOM 296 O ASN A 615 -7.209 19.308 -33.454 1.00 25.00 O ATOM 297 CB ASN A 615 -7.762 20.776 -35.861 1.00 25.00 C ATOM 298 CG ASN A 615 -6.329 21.242 -35.951 1.00 25.00 C ATOM 299 OD1 ASN A 615 -5.887 21.710 -36.982 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.608 21.129 -34.880 1.00 25.00 N ATOM 0 H ASN A 615 -9.056 18.334 -37.312 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.056 18.789 -36.314 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.312 21.145 -36.727 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.225 21.216 -34.978 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.636 21.438 -34.885 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.013 20.731 -34.032 1.00 25.00 H new ATOM 307 N SER A 616 -8.604 17.642 -34.080 1.00 25.00 N ATOM 308 CA SER A 616 -8.814 17.110 -32.736 1.00 25.00 C ATOM 309 C SER A 616 -9.122 15.615 -32.746 1.00 25.00 C ATOM 310 O SER A 616 -9.445 15.064 -33.797 1.00 25.00 O ATOM 311 CB SER A 616 -10.043 17.782 -32.124 1.00 25.00 C ATOM 312 OG SER A 616 -10.032 19.186 -32.287 1.00 25.00 O ATOM 0 H SER A 616 -9.078 17.109 -34.810 1.00 25.00 H new ATOM 0 HA SER A 616 -7.897 17.297 -32.176 1.00 25.00 H new ATOM 0 HB2 SER A 616 -10.943 17.374 -32.584 1.00 25.00 H new ATOM 0 HB3 SER A 616 -10.092 17.544 -31.062 1.00 25.00 H new ATOM 0 HG SER A 616 -10.524 19.425 -33.100 1.00 25.00 H new ATOM 318 N ILE A 617 -9.060 14.979 -31.578 1.00 25.00 N ATOM 319 CA ILE A 617 -9.474 13.574 -31.414 1.00 25.00 C ATOM 320 C ILE A 617 -9.766 13.290 -29.939 1.00 25.00 C ATOM 321 O ILE A 617 -9.253 13.990 -29.070 1.00 25.00 O ATOM 322 CB ILE A 617 -8.390 12.584 -31.943 1.00 25.00 C ATOM 323 CG1 ILE A 617 -8.998 11.180 -32.085 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.130 12.561 -31.044 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.442 10.363 -33.191 1.00 25.00 C ATOM 0 H ILE A 617 -8.724 15.414 -30.719 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.377 13.421 -32.005 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.063 12.932 -32.923 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -8.853 10.642 -31.148 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.073 11.280 -32.233 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.404 11.858 -31.453 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.690 13.557 -31.009 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.408 12.252 -30.036 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -8.935 9.391 -33.209 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.610 10.872 -34.140 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.372 10.224 -33.039 1.00 25.00 H new ATOM 337 N LYS A 618 -10.572 12.273 -29.648 1.00 25.00 N ATOM 338 CA LYS A 618 -10.847 11.877 -28.266 1.00 25.00 C ATOM 339 C LYS A 618 -10.230 10.502 -28.098 1.00 25.00 C ATOM 340 O LYS A 618 -10.432 9.630 -28.935 1.00 25.00 O ATOM 341 CB LYS A 618 -12.353 11.804 -27.958 1.00 25.00 C ATOM 342 CG LYS A 618 -13.179 12.969 -28.484 1.00 25.00 C ATOM 343 CD LYS A 618 -13.813 12.645 -29.844 1.00 25.00 C ATOM 344 CE LYS A 618 -15.252 12.154 -29.725 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.185 13.265 -29.355 1.00 25.00 N ATOM 0 H LYS A 618 -11.048 11.706 -30.350 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.432 12.616 -27.581 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.749 10.880 -28.378 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.484 11.745 -26.878 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -13.962 13.214 -27.766 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.546 13.851 -28.578 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.789 13.536 -30.472 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.215 11.884 -30.346 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.566 11.714 -30.672 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.307 11.366 -28.974 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.601 13.073 -28.421 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.660 14.162 -29.322 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -16.943 13.333 -30.064 1.00 25.00 H new ATOM 359 N VAL A 619 -9.485 10.303 -27.027 1.00 25.00 N ATOM 360 CA VAL A 619 -8.879 9.003 -26.747 1.00 25.00 C ATOM 361 C VAL A 619 -9.386 8.603 -25.368 1.00 25.00 C ATOM 362 O VAL A 619 -9.466 9.429 -24.463 1.00 25.00 O ATOM 363 CB VAL A 619 -7.299 9.029 -26.881 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.776 10.458 -27.161 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.596 8.426 -25.654 1.00 25.00 C ATOM 0 H VAL A 619 -9.281 11.022 -26.333 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.169 8.252 -27.482 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.054 8.401 -27.737 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.690 10.438 -27.247 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.207 10.827 -28.092 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.063 11.117 -26.342 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.516 8.468 -25.796 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.867 8.994 -24.764 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.906 7.388 -25.531 1.00 25.00 H new ATOM 375 N ASN A 620 -9.765 7.343 -25.230 1.00 25.00 N ATOM 376 CA ASN A 620 -10.319 6.826 -23.982 1.00 25.00 C ATOM 377 C ASN A 620 -9.344 6.906 -22.812 1.00 25.00 C ATOM 378 O ASN A 620 -8.139 6.801 -22.991 1.00 25.00 O ATOM 379 CB ASN A 620 -10.707 5.369 -24.185 1.00 25.00 C ATOM 380 CG ASN A 620 -12.136 5.120 -23.892 1.00 25.00 C ATOM 381 OD1 ASN A 620 -12.515 4.861 -22.765 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.942 5.205 -24.897 1.00 25.00 N ATOM 0 H ASN A 620 -9.699 6.649 -25.975 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.180 7.447 -23.733 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.494 5.079 -25.214 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.092 4.739 -23.542 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.942 5.052 -24.763 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.579 5.425 -25.825 1.00 25.00 H new ATOM 389 N LEU A 621 -9.877 7.105 -21.617 1.00 25.00 N ATOM 390 CA LEU A 621 -9.069 7.112 -20.406 1.00 25.00 C ATOM 391 C LEU A 621 -9.587 6.113 -19.366 1.00 25.00 C ATOM 392 O LEU A 621 -10.569 5.402 -19.587 1.00 25.00 O ATOM 393 CB LEU A 621 -8.973 8.531 -19.848 1.00 25.00 C ATOM 394 CG LEU A 621 -7.640 8.952 -19.206 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.449 8.836 -20.166 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.784 10.388 -18.744 1.00 25.00 C ATOM 0 H LEU A 621 -10.872 7.265 -21.459 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.062 6.782 -20.663 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.191 9.227 -20.658 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.759 8.653 -19.103 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.431 8.278 -18.375 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.538 9.147 -19.655 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.346 7.802 -20.494 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.616 9.477 -21.032 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.853 10.717 -18.283 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.010 11.025 -19.599 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.593 10.457 -18.017 1.00 25.00 H new ATOM 408 N ILE A 622 -8.902 6.067 -18.240 1.00 25.00 N ATOM 409 CA ILE A 622 -9.236 5.210 -17.108 1.00 25.00 C ATOM 410 C ILE A 622 -10.213 5.937 -16.162 1.00 25.00 C ATOM 411 O ILE A 622 -9.962 7.059 -15.755 1.00 25.00 O ATOM 412 CB ILE A 622 -7.918 4.889 -16.357 1.00 25.00 C ATOM 413 CG1 ILE A 622 -7.070 3.913 -17.176 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.154 4.324 -14.970 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.601 4.153 -17.048 1.00 25.00 C ATOM 0 H ILE A 622 -8.073 6.639 -18.078 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.715 4.294 -17.454 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.387 5.833 -16.234 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -7.293 2.894 -16.859 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.353 3.989 -18.226 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.196 4.119 -14.493 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.710 5.047 -14.372 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.727 3.400 -15.046 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.059 3.426 -17.654 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.365 5.160 -17.392 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.305 4.048 -16.004 1.00 25.00 H new ATOM 427 N LYS A 623 -11.317 5.284 -15.823 1.00 25.00 N ATOM 428 CA LYS A 623 -12.305 5.832 -14.870 1.00 25.00 C ATOM 429 C LYS A 623 -12.532 4.907 -13.668 1.00 25.00 C ATOM 430 O LYS A 623 -13.490 5.064 -12.924 1.00 25.00 O ATOM 431 CB LYS A 623 -13.638 6.161 -15.575 1.00 25.00 C ATOM 432 CG LYS A 623 -14.049 5.205 -16.698 1.00 25.00 C ATOM 433 CD LYS A 623 -13.646 5.770 -18.032 1.00 25.00 C ATOM 434 CE LYS A 623 -14.158 4.916 -19.148 1.00 25.00 C ATOM 435 NZ LYS A 623 -13.947 5.635 -20.439 1.00 25.00 N ATOM 0 H LYS A 623 -11.562 4.365 -16.191 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.886 6.761 -14.482 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.430 6.174 -14.826 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.571 7.168 -15.986 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -13.578 4.233 -16.549 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -15.127 5.045 -16.673 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -14.035 6.783 -18.135 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -12.560 5.839 -18.090 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -13.638 3.958 -19.160 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -15.217 4.702 -19.004 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -14.852 6.024 -20.772 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -13.268 6.410 -20.298 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -13.573 4.973 -21.148 1.00 25.00 H new ATOM 449 N GLN A 624 -11.650 3.936 -13.495 1.00 25.00 N ATOM 450 CA GLN A 624 -11.789 2.936 -12.435 1.00 25.00 C ATOM 451 C GLN A 624 -10.400 2.542 -11.955 1.00 25.00 C ATOM 452 O GLN A 624 -9.419 2.935 -12.567 1.00 25.00 O ATOM 453 CB GLN A 624 -12.553 1.701 -12.960 1.00 25.00 C ATOM 454 CG GLN A 624 -11.842 0.902 -14.068 1.00 25.00 C ATOM 455 CD GLN A 624 -11.852 1.602 -15.414 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.883 1.785 -16.030 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.699 1.995 -15.869 1.00 25.00 N ATOM 0 H GLN A 624 -10.822 3.814 -14.078 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.358 3.353 -11.604 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.747 1.032 -12.121 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.522 2.028 -13.337 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.810 0.719 -13.769 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.322 -0.072 -14.169 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.852 1.826 -15.326 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.642 2.473 -16.768 1.00 25.00 H new ATOM 466 N ASP A 625 -10.299 1.769 -10.884 1.00 25.00 N ATOM 467 CA ASP A 625 -8.986 1.299 -10.445 1.00 25.00 C ATOM 468 C ASP A 625 -8.508 0.301 -11.496 1.00 25.00 C ATOM 469 O ASP A 625 -9.277 -0.539 -11.953 1.00 25.00 O ATOM 470 CB ASP A 625 -9.054 0.641 -9.065 1.00 25.00 C ATOM 471 CG ASP A 625 -7.685 0.551 -8.397 1.00 25.00 C ATOM 472 OD1 ASP A 625 -7.608 0.858 -7.197 1.00 25.00 O ATOM 473 OD2 ASP A 625 -6.684 0.194 -9.071 1.00 25.00 O ATOM 0 H ASP A 625 -11.085 1.458 -10.313 1.00 25.00 H new ATOM 0 HA ASP A 625 -8.295 2.136 -10.349 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -9.730 1.210 -8.427 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -9.474 -0.360 -9.163 1.00 25.00 H new ATOM 478 N ASP A 626 -7.250 0.420 -11.886 1.00 25.00 N ATOM 479 CA ASP A 626 -6.684 -0.404 -12.948 1.00 25.00 C ATOM 480 C ASP A 626 -5.673 -1.400 -12.437 1.00 25.00 C ATOM 481 O ASP A 626 -5.053 -2.126 -13.212 1.00 25.00 O ATOM 482 CB ASP A 626 -6.002 0.508 -13.956 1.00 25.00 C ATOM 483 CG ASP A 626 -6.833 0.710 -15.216 1.00 25.00 C ATOM 484 OD1 ASP A 626 -6.244 0.620 -16.306 1.00 25.00 O ATOM 485 OD2 ASP A 626 -8.061 0.935 -15.145 1.00 25.00 O ATOM 0 H ASP A 626 -6.593 1.086 -11.480 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.500 -0.968 -13.400 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.809 1.476 -13.493 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.034 0.086 -14.227 1.00 25.00 H new ATOM 490 N GLY A 627 -5.482 -1.437 -11.132 1.00 25.00 N ATOM 491 CA GLY A 627 -4.532 -2.369 -10.575 1.00 25.00 C ATOM 492 C GLY A 627 -4.577 -2.457 -9.075 1.00 25.00 C ATOM 493 O GLY A 627 -5.326 -3.228 -8.499 1.00 25.00 O ATOM 0 H GLY A 627 -5.962 -0.845 -10.454 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -4.719 -3.358 -10.993 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.528 -2.077 -10.883 1.00 25.00 H new ATOM 497 N GLY A 628 -3.718 -1.668 -8.448 1.00 25.00 N ATOM 498 CA GLY A 628 -3.597 -1.681 -6.994 1.00 25.00 C ATOM 499 C GLY A 628 -4.183 -0.510 -6.234 1.00 25.00 C ATOM 500 O GLY A 628 -4.538 -0.646 -5.073 1.00 25.00 O ATOM 0 H GLY A 628 -3.095 -1.012 -8.919 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.069 -2.592 -6.625 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -2.538 -1.748 -6.745 1.00 25.00 H new ATOM 504 N SER A 629 -4.255 0.636 -6.885 1.00 25.00 N ATOM 505 CA SER A 629 -4.732 1.861 -6.260 1.00 25.00 C ATOM 506 C SER A 629 -5.193 2.766 -7.386 1.00 25.00 C ATOM 507 O SER A 629 -4.706 2.625 -8.523 1.00 25.00 O ATOM 508 CB SER A 629 -3.602 2.548 -5.474 1.00 25.00 C ATOM 509 OG SER A 629 -2.559 2.959 -6.348 1.00 25.00 O ATOM 0 H SER A 629 -3.985 0.747 -7.862 1.00 25.00 H new ATOM 0 HA SER A 629 -5.538 1.647 -5.558 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.997 3.412 -4.940 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.206 1.863 -4.724 1.00 25.00 H new ATOM 0 HG SER A 629 -1.851 3.395 -5.830 1.00 25.00 H new ATOM 515 N PRO A 630 -6.110 3.711 -7.105 1.00 25.00 N ATOM 516 CA PRO A 630 -6.563 4.561 -8.207 1.00 25.00 C ATOM 517 C PRO A 630 -5.456 5.438 -8.778 1.00 25.00 C ATOM 518 O PRO A 630 -4.459 5.759 -8.113 1.00 25.00 O ATOM 519 CB PRO A 630 -7.670 5.398 -7.564 1.00 25.00 C ATOM 520 CG PRO A 630 -7.305 5.450 -6.132 1.00 25.00 C ATOM 521 CD PRO A 630 -6.791 4.067 -5.846 1.00 25.00 C ATOM 0 HA PRO A 630 -6.899 3.978 -9.065 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.717 6.396 -7.999 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.649 4.941 -7.708 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.545 6.208 -5.939 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -8.165 5.695 -5.508 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -6.107 4.056 -4.998 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.599 3.374 -5.612 1.00 25.00 H new ATOM 529 N ILE A 631 -5.645 5.808 -10.032 1.00 25.00 N ATOM 530 CA ILE A 631 -4.690 6.624 -10.766 1.00 25.00 C ATOM 531 C ILE A 631 -4.700 8.023 -10.160 1.00 25.00 C ATOM 532 O ILE A 631 -5.755 8.562 -9.862 1.00 25.00 O ATOM 533 CB ILE A 631 -5.075 6.683 -12.284 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.607 5.418 -13.044 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.418 7.884 -12.963 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.127 4.089 -12.555 1.00 25.00 C ATOM 0 H ILE A 631 -6.470 5.550 -10.574 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.692 6.191 -10.693 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.162 6.759 -12.321 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.891 5.528 -14.090 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.518 5.388 -13.011 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -4.699 7.905 -14.016 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -4.751 8.802 -12.480 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.334 7.802 -12.878 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.722 3.289 -13.175 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.820 3.937 -11.520 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.215 4.079 -12.616 1.00 25.00 H new ATOM 548 N ARG A 632 -3.525 8.616 -9.989 1.00 25.00 N ATOM 549 CA ARG A 632 -3.428 9.980 -9.486 1.00 25.00 C ATOM 550 C ARG A 632 -3.425 10.946 -10.668 1.00 25.00 C ATOM 551 O ARG A 632 -4.160 11.935 -10.662 1.00 25.00 O ATOM 552 CB ARG A 632 -2.127 10.190 -8.707 1.00 25.00 C ATOM 553 CG ARG A 632 -2.020 9.501 -7.335 1.00 25.00 C ATOM 554 CD ARG A 632 -0.848 10.118 -6.559 1.00 25.00 C ATOM 555 NE ARG A 632 0.384 10.199 -7.368 1.00 25.00 N ATOM 556 CZ ARG A 632 1.531 10.734 -6.968 1.00 25.00 C ATOM 557 NH1 ARG A 632 1.688 11.234 -5.765 1.00 25.00 N ATOM 558 NH2 ARG A 632 2.535 10.777 -7.788 1.00 25.00 N ATOM 0 H ARG A 632 -2.628 8.175 -10.191 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.277 10.160 -8.826 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.300 9.843 -9.327 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.988 11.261 -8.561 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -2.948 9.625 -6.777 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.865 8.430 -7.462 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -1.125 11.117 -6.223 1.00 25.00 H new ATOM 0 HD3 ARG A 632 -0.654 9.524 -5.666 1.00 25.00 H new ATOM 0 HE ARG A 632 0.351 9.812 -8.311 1.00 25.00 H new ATOM 0 HH11 ARG A 632 0.913 11.220 -5.102 1.00 25.00 H new ATOM 0 HH12 ARG A 632 2.585 11.637 -5.493 1.00 25.00 H new ATOM 0 HH21 ARG A 632 2.439 10.402 -8.732 1.00 25.00 H new ATOM 0 HH22 ARG A 632 3.420 11.186 -7.489 1.00 25.00 H new ATOM 572 N HIS A 633 -2.592 10.666 -11.666 1.00 25.00 N ATOM 573 CA HIS A 633 -2.402 11.574 -12.805 1.00 25.00 C ATOM 574 C HIS A 633 -2.342 10.854 -14.155 1.00 25.00 C ATOM 575 O HIS A 633 -2.076 9.655 -14.221 1.00 25.00 O ATOM 576 CB HIS A 633 -1.076 12.334 -12.621 1.00 25.00 C ATOM 577 CG HIS A 633 -0.877 12.884 -11.242 1.00 25.00 C ATOM 578 ND1 HIS A 633 -1.682 13.828 -10.657 1.00 25.00 N ATOM 579 CD2 HIS A 633 0.070 12.599 -10.302 1.00 25.00 C ATOM 580 CE1 HIS A 633 -1.218 14.077 -9.437 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.155 13.350 -9.162 1.00 25.00 N ATOM 0 H HIS A 633 -2.033 9.814 -11.714 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.265 12.240 -12.820 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.249 11.664 -12.857 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.036 13.154 -13.338 1.00 25.00 H new ATOM 0 HD2 HIS A 633 0.876 11.892 -10.429 1.00 25.00 H new ATOM 0 HE1 HIS A 633 -1.659 14.789 -8.754 1.00 25.00 H new ATOM 0 HE2 HIS A 633 0.385 13.342 -8.297 1.00 25.00 H new ATOM 589 N TYR A 634 -2.566 11.598 -15.232 1.00 25.00 N ATOM 590 CA TYR A 634 -2.469 11.064 -16.593 1.00 25.00 C ATOM 591 C TYR A 634 -1.508 11.913 -17.386 1.00 25.00 C ATOM 592 O TYR A 634 -1.457 13.125 -17.192 1.00 25.00 O ATOM 593 CB TYR A 634 -3.822 11.095 -17.290 1.00 25.00 C ATOM 594 CG TYR A 634 -4.820 10.199 -16.632 1.00 25.00 C ATOM 595 CD1 TYR A 634 -5.833 10.727 -15.810 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.758 8.806 -16.815 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.756 9.874 -15.171 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.677 7.958 -16.174 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.663 8.503 -15.344 1.00 25.00 C ATOM 600 OH TYR A 634 -7.533 7.690 -14.683 1.00 25.00 O ATOM 0 H TYR A 634 -2.819 12.585 -15.191 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.123 10.032 -16.533 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.202 12.117 -17.295 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.699 10.795 -18.331 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -5.904 11.795 -15.667 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.997 8.384 -17.454 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.534 10.289 -14.548 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.623 6.889 -16.321 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.383 7.655 -15.170 1.00 25.00 H new ATOM 610 N LEU A 635 -0.746 11.272 -18.260 1.00 25.00 N ATOM 611 CA LEU A 635 0.219 11.966 -19.104 1.00 25.00 C ATOM 612 C LEU A 635 -0.014 11.530 -20.551 1.00 25.00 C ATOM 613 O LEU A 635 -0.053 10.329 -20.835 1.00 25.00 O ATOM 614 CB LEU A 635 1.657 11.633 -18.672 1.00 25.00 C ATOM 615 CG LEU A 635 2.051 11.868 -17.195 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.827 10.616 -16.310 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.526 12.251 -17.123 1.00 25.00 C ATOM 0 H LEU A 635 -0.777 10.263 -18.405 1.00 25.00 H new ATOM 0 HA LEU A 635 0.086 13.044 -19.009 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.839 10.583 -18.902 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.335 12.217 -19.294 1.00 25.00 H new ATOM 0 HG LEU A 635 1.412 12.666 -16.816 1.00 25.00 H new ATOM 0 HD11 LEU A 635 2.120 10.838 -15.284 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.774 10.337 -16.334 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.429 9.790 -16.689 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.808 12.418 -16.083 1.00 25.00 H new ATOM 0 HD22 LEU A 635 4.132 11.446 -17.539 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.693 13.164 -17.695 1.00 25.00 H new ATOM 629 N VAL A 636 -0.172 12.484 -21.455 1.00 25.00 N ATOM 630 CA VAL A 636 -0.387 12.185 -22.879 1.00 25.00 C ATOM 631 C VAL A 636 0.668 12.923 -23.701 1.00 25.00 C ATOM 632 O VAL A 636 0.990 14.070 -23.397 1.00 25.00 O ATOM 633 CB VAL A 636 -1.810 12.624 -23.350 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.137 12.027 -24.729 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.876 12.195 -22.327 1.00 25.00 C ATOM 0 H VAL A 636 -0.157 13.480 -21.235 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.304 11.108 -23.022 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.816 13.711 -23.430 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.133 12.346 -25.037 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.404 12.372 -25.458 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.107 10.939 -24.671 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.860 12.510 -22.673 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.860 11.111 -22.218 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.664 12.660 -21.364 1.00 25.00 H new ATOM 645 N ARG A 637 1.204 12.267 -24.724 1.00 25.00 N ATOM 646 CA ARG A 637 2.249 12.835 -25.579 1.00 25.00 C ATOM 647 C ARG A 637 1.900 12.456 -27.012 1.00 25.00 C ATOM 648 O ARG A 637 1.610 11.306 -27.276 1.00 25.00 O ATOM 649 CB ARG A 637 3.602 12.248 -25.154 1.00 25.00 C ATOM 650 CG ARG A 637 4.768 12.646 -26.034 1.00 25.00 C ATOM 651 CD ARG A 637 6.113 12.400 -25.371 1.00 25.00 C ATOM 652 NE ARG A 637 6.293 13.258 -24.186 1.00 25.00 N ATOM 653 CZ ARG A 637 7.398 13.345 -23.459 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.483 12.665 -23.740 1.00 25.00 N ATOM 655 NH2 ARG A 637 7.405 14.137 -22.424 1.00 25.00 N ATOM 0 H ARG A 637 0.927 11.321 -24.988 1.00 25.00 H new ATOM 0 HA ARG A 637 2.314 13.920 -25.493 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.813 12.560 -24.131 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.525 11.161 -25.146 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.720 12.087 -26.968 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.681 13.702 -26.290 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.190 11.353 -25.079 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.913 12.592 -26.086 1.00 25.00 H new ATOM 0 HE ARG A 637 5.500 13.833 -23.901 1.00 25.00 H new ATOM 0 HH11 ARG A 637 8.498 12.039 -24.545 1.00 25.00 H new ATOM 0 HH12 ARG A 637 9.312 12.762 -23.154 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.571 14.674 -22.187 1.00 25.00 H new ATOM 0 HH22 ARG A 637 8.244 14.219 -21.851 1.00 25.00 H new ATOM 669 N TYR A 638 1.903 13.410 -27.929 1.00 25.00 N ATOM 670 CA TYR A 638 1.498 13.138 -29.313 1.00 25.00 C ATOM 671 C TYR A 638 2.261 14.027 -30.278 1.00 25.00 C ATOM 672 O TYR A 638 2.737 15.088 -29.884 1.00 25.00 O ATOM 673 CB TYR A 638 -0.020 13.339 -29.482 1.00 25.00 C ATOM 674 CG TYR A 638 -0.536 14.722 -29.130 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.973 15.606 -30.137 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.607 15.153 -27.786 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.484 16.891 -29.806 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.099 16.434 -27.462 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.541 17.285 -28.469 1.00 25.00 C ATOM 680 OH TYR A 638 -2.035 18.515 -28.129 1.00 25.00 O ATOM 0 H TYR A 638 2.178 14.376 -27.749 1.00 25.00 H new ATOM 0 HA TYR A 638 1.736 12.099 -29.541 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.285 13.123 -30.517 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.538 12.608 -28.861 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.919 15.304 -31.172 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.280 14.492 -26.997 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.826 17.557 -30.584 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.133 16.754 -26.431 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.876 18.674 -28.607 1.00 25.00 H new ATOM 690 N ARG A 639 2.382 13.578 -31.522 1.00 25.00 N ATOM 691 CA ARG A 639 3.144 14.280 -32.566 1.00 25.00 C ATOM 692 C ARG A 639 2.495 13.950 -33.895 1.00 25.00 C ATOM 693 O ARG A 639 1.882 12.901 -34.029 1.00 25.00 O ATOM 694 CB ARG A 639 4.608 13.804 -32.516 1.00 25.00 C ATOM 695 CG ARG A 639 5.475 13.993 -33.755 1.00 25.00 C ATOM 696 CD ARG A 639 5.517 12.719 -34.588 1.00 25.00 C ATOM 697 NE ARG A 639 5.760 13.024 -36.001 1.00 25.00 N ATOM 698 CZ ARG A 639 5.949 12.133 -36.964 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.933 10.842 -36.746 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.150 12.560 -38.178 1.00 25.00 N ATOM 0 H ARG A 639 1.953 12.710 -31.844 1.00 25.00 H new ATOM 0 HA ARG A 639 3.140 15.360 -32.421 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.096 14.318 -31.688 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.603 12.741 -32.273 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.083 14.813 -34.357 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.486 14.271 -33.457 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.302 12.061 -34.214 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.574 12.181 -34.485 1.00 25.00 H new ATOM 0 HE ARG A 639 5.786 14.008 -36.267 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.770 10.486 -35.804 1.00 25.00 H new ATOM 0 HH12 ARG A 639 6.083 10.193 -37.518 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.160 13.561 -38.371 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.298 11.893 -38.935 1.00 25.00 H new ATOM 714 N ALA A 640 2.623 14.841 -34.863 1.00 25.00 N ATOM 715 CA ALA A 640 2.030 14.661 -36.177 1.00 25.00 C ATOM 716 C ALA A 640 3.084 14.879 -37.250 1.00 25.00 C ATOM 717 O ALA A 640 4.228 15.193 -36.941 1.00 25.00 O ATOM 718 CB ALA A 640 0.885 15.624 -36.350 1.00 25.00 C ATOM 0 H ALA A 640 3.143 15.712 -34.759 1.00 25.00 H new ATOM 0 HA ALA A 640 1.647 13.645 -36.271 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.441 15.488 -37.336 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.133 15.436 -35.584 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.252 16.646 -36.255 1.00 25.00 H new ATOM 724 N LEU A 641 2.696 14.724 -38.506 1.00 25.00 N ATOM 725 CA LEU A 641 3.620 14.920 -39.616 1.00 25.00 C ATOM 726 C LEU A 641 4.253 16.316 -39.552 1.00 25.00 C ATOM 727 O LEU A 641 5.458 16.454 -39.742 1.00 25.00 O ATOM 728 CB LEU A 641 2.883 14.713 -40.945 1.00 25.00 C ATOM 729 CG LEU A 641 3.741 14.715 -42.223 1.00 25.00 C ATOM 730 CD1 LEU A 641 4.776 13.582 -42.213 1.00 25.00 C ATOM 731 CD2 LEU A 641 2.831 14.562 -43.439 1.00 25.00 C ATOM 0 H LEU A 641 1.750 14.464 -38.784 1.00 25.00 H new ATOM 0 HA LEU A 641 4.423 14.187 -39.544 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.352 13.763 -40.894 1.00 25.00 H new ATOM 0 HB3 LEU A 641 2.129 15.495 -41.041 1.00 25.00 H new ATOM 0 HG LEU A 641 4.281 15.661 -42.268 1.00 25.00 H new ATOM 0 HD11 LEU A 641 5.362 13.616 -43.131 1.00 25.00 H new ATOM 0 HD12 LEU A 641 5.438 13.701 -41.355 1.00 25.00 H new ATOM 0 HD13 LEU A 641 4.264 12.622 -42.145 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.434 14.563 -44.347 1.00 25.00 H new ATOM 0 HD22 LEU A 641 2.284 13.622 -43.368 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.125 15.392 -43.472 1.00 25.00 H new ATOM 743 N SER A 642 3.441 17.327 -39.270 1.00 25.00 N ATOM 744 CA SER A 642 3.921 18.703 -39.108 1.00 25.00 C ATOM 745 C SER A 642 3.975 19.159 -37.640 1.00 25.00 C ATOM 746 O SER A 642 4.833 19.950 -37.258 1.00 25.00 O ATOM 747 CB SER A 642 3.003 19.641 -39.894 1.00 25.00 C ATOM 748 OG SER A 642 3.517 20.962 -39.933 1.00 25.00 O ATOM 0 H SER A 642 2.434 17.222 -39.147 1.00 25.00 H new ATOM 0 HA SER A 642 4.943 18.736 -39.486 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.883 19.266 -40.911 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.013 19.648 -39.438 1.00 25.00 H new ATOM 0 HG SER A 642 2.908 21.535 -40.444 1.00 25.00 H new ATOM 754 N SER A 643 3.058 18.671 -36.811 1.00 25.00 N ATOM 755 CA SER A 643 3.015 19.098 -35.401 1.00 25.00 C ATOM 756 C SER A 643 4.060 18.399 -34.524 1.00 25.00 C ATOM 757 O SER A 643 4.320 17.207 -34.657 1.00 25.00 O ATOM 758 CB SER A 643 1.626 18.874 -34.793 1.00 25.00 C ATOM 759 OG SER A 643 0.629 19.608 -35.489 1.00 25.00 O ATOM 0 H SER A 643 2.344 17.992 -37.076 1.00 25.00 H new ATOM 0 HA SER A 643 3.248 20.163 -35.415 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.383 17.812 -34.820 1.00 25.00 H new ATOM 0 HB3 SER A 643 1.634 19.173 -33.745 1.00 25.00 H new ATOM 0 HG SER A 643 0.442 19.174 -36.347 1.00 25.00 H new ATOM 765 N GLU A 644 4.638 19.172 -33.618 1.00 25.00 N ATOM 766 CA GLU A 644 5.680 18.714 -32.689 1.00 25.00 C ATOM 767 C GLU A 644 5.213 17.659 -31.671 1.00 25.00 C ATOM 768 O GLU A 644 4.015 17.454 -31.474 1.00 25.00 O ATOM 769 CB GLU A 644 6.151 19.937 -31.885 1.00 25.00 C ATOM 770 CG GLU A 644 5.089 20.398 -30.869 1.00 25.00 C ATOM 771 CD GLU A 644 5.342 21.761 -30.272 1.00 25.00 C ATOM 772 OE1 GLU A 644 4.340 22.368 -29.819 1.00 25.00 O ATOM 773 OE2 GLU A 644 6.492 22.228 -30.235 1.00 25.00 O ATOM 0 H GLU A 644 4.397 20.156 -33.499 1.00 25.00 H new ATOM 0 HA GLU A 644 6.457 18.250 -33.297 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.074 19.693 -31.360 1.00 25.00 H new ATOM 0 HB3 GLU A 644 6.379 20.755 -32.568 1.00 25.00 H new ATOM 0 HG2 GLU A 644 4.115 20.405 -31.359 1.00 25.00 H new ATOM 0 HG3 GLU A 644 5.035 19.667 -30.063 1.00 25.00 H new ATOM 780 N TRP A 645 6.172 17.032 -30.994 1.00 25.00 N ATOM 781 CA TRP A 645 5.880 16.171 -29.847 1.00 25.00 C ATOM 782 C TRP A 645 5.431 17.049 -28.684 1.00 25.00 C ATOM 783 O TRP A 645 6.260 17.639 -27.990 1.00 25.00 O ATOM 784 CB TRP A 645 7.125 15.385 -29.397 1.00 25.00 C ATOM 785 CG TRP A 645 7.376 14.110 -30.158 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.382 13.852 -31.033 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.601 12.893 -30.101 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.309 12.581 -31.524 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.224 11.954 -30.976 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.429 12.509 -29.419 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.715 10.654 -31.174 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.915 11.198 -29.614 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.571 10.285 -30.489 1.00 25.00 C ATOM 0 H TRP A 645 7.164 17.104 -31.220 1.00 25.00 H new ATOM 0 HA TRP A 645 5.106 15.462 -30.141 1.00 25.00 H new ATOM 0 HB2 TRP A 645 7.999 16.029 -29.496 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.023 15.146 -28.338 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.146 14.565 -31.307 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.959 12.166 -32.192 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.929 13.201 -28.758 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.206 9.964 -31.844 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 4.019 10.891 -29.094 1.00 25.00 H new ATOM 0 HH2 TRP A 645 5.170 9.291 -30.619 1.00 25.00 H new ATOM 804 N LYS A 646 4.128 17.131 -28.456 1.00 25.00 N ATOM 805 CA LYS A 646 3.609 17.903 -27.324 1.00 25.00 C ATOM 806 C LYS A 646 4.122 17.183 -26.080 1.00 25.00 C ATOM 807 O LYS A 646 4.043 15.959 -26.002 1.00 25.00 O ATOM 808 CB LYS A 646 2.079 17.969 -27.339 1.00 25.00 C ATOM 809 CG LYS A 646 1.516 19.169 -28.116 1.00 25.00 C ATOM 810 CD LYS A 646 1.710 19.029 -29.627 1.00 25.00 C ATOM 811 CE LYS A 646 1.069 20.175 -30.397 1.00 25.00 C ATOM 812 NZ LYS A 646 1.658 21.523 -30.079 1.00 25.00 N ATOM 0 H LYS A 646 3.414 16.680 -29.029 1.00 25.00 H new ATOM 0 HA LYS A 646 3.944 18.940 -27.360 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.690 17.050 -27.777 1.00 25.00 H new ATOM 0 HB3 LYS A 646 1.717 18.011 -26.312 1.00 25.00 H new ATOM 0 HG2 LYS A 646 0.453 19.274 -27.897 1.00 25.00 H new ATOM 0 HG3 LYS A 646 2.004 20.082 -27.773 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.776 18.993 -29.853 1.00 25.00 H new ATOM 0 HD3 LYS A 646 1.281 18.084 -29.961 1.00 25.00 H new ATOM 0 HE2 LYS A 646 1.173 19.986 -31.465 1.00 25.00 H new ATOM 0 HE3 LYS A 646 0.001 20.195 -30.179 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 1.365 22.209 -30.803 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 1.321 21.838 -29.147 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 2.696 21.454 -30.067 1.00 25.00 H new ATOM 826 N PRO A 647 4.681 17.925 -25.109 1.00 25.00 N ATOM 827 CA PRO A 647 5.358 17.217 -24.014 1.00 25.00 C ATOM 828 C PRO A 647 4.467 16.437 -23.051 1.00 25.00 C ATOM 829 O PRO A 647 4.752 15.275 -22.760 1.00 25.00 O ATOM 830 CB PRO A 647 6.101 18.346 -23.290 1.00 25.00 C ATOM 831 CG PRO A 647 5.281 19.565 -23.552 1.00 25.00 C ATOM 832 CD PRO A 647 4.791 19.390 -24.967 1.00 25.00 C ATOM 0 HA PRO A 647 5.987 16.423 -24.416 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.183 18.145 -22.222 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.116 18.461 -23.671 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.450 19.643 -22.851 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.874 20.473 -23.446 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.831 19.883 -25.124 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.489 19.813 -25.690 1.00 25.00 H new ATOM 840 N GLU A 648 3.414 17.058 -22.545 1.00 25.00 N ATOM 841 CA GLU A 648 2.534 16.422 -21.575 1.00 25.00 C ATOM 842 C GLU A 648 1.195 17.142 -21.589 1.00 25.00 C ATOM 843 O GLU A 648 1.148 18.357 -21.788 1.00 25.00 O ATOM 844 CB GLU A 648 3.157 16.533 -20.174 1.00 25.00 C ATOM 845 CG GLU A 648 2.410 15.775 -19.083 1.00 25.00 C ATOM 846 CD GLU A 648 3.031 15.991 -17.717 1.00 25.00 C ATOM 847 OE1 GLU A 648 2.329 16.497 -16.815 1.00 25.00 O ATOM 848 OE2 GLU A 648 4.227 15.665 -17.547 1.00 25.00 O ATOM 0 H GLU A 648 3.145 18.010 -22.792 1.00 25.00 H new ATOM 0 HA GLU A 648 2.396 15.371 -21.827 1.00 25.00 H new ATOM 0 HB2 GLU A 648 4.182 16.165 -20.217 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.208 17.586 -19.896 1.00 25.00 H new ATOM 0 HG2 GLU A 648 1.369 16.099 -19.064 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.409 14.710 -19.317 1.00 25.00 H new ATOM 855 N ILE A 649 0.119 16.404 -21.363 1.00 25.00 N ATOM 856 CA ILE A 649 -1.214 16.972 -21.235 1.00 25.00 C ATOM 857 C ILE A 649 -1.725 16.489 -19.885 1.00 25.00 C ATOM 858 O ILE A 649 -1.776 15.289 -19.627 1.00 25.00 O ATOM 859 CB ILE A 649 -2.176 16.498 -22.370 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.608 16.847 -23.764 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.589 17.108 -22.188 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.483 18.368 -24.086 1.00 25.00 C ATOM 0 H ILE A 649 0.146 15.389 -21.263 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.176 18.059 -21.312 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.260 15.413 -22.302 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.621 16.393 -23.857 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.244 16.386 -24.520 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.240 16.763 -22.991 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -3.999 16.795 -21.228 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.522 18.196 -22.217 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.074 18.495 -25.088 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.467 18.833 -24.034 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.820 18.840 -23.361 1.00 25.00 H new ATOM 874 N ARG A 650 -2.090 17.435 -19.038 1.00 25.00 N ATOM 875 CA ARG A 650 -2.615 17.158 -17.698 1.00 25.00 C ATOM 876 C ARG A 650 -3.948 16.507 -17.793 1.00 25.00 C ATOM 877 O ARG A 650 -4.678 16.881 -18.662 1.00 25.00 O ATOM 878 CB ARG A 650 -2.871 18.485 -16.929 1.00 25.00 C ATOM 879 CG ARG A 650 -4.180 19.264 -17.426 1.00 25.00 C ATOM 880 CD ARG A 650 -4.304 20.658 -16.844 1.00 25.00 C ATOM 881 NE ARG A 650 -5.524 21.316 -17.350 1.00 25.00 N ATOM 882 CZ ARG A 650 -5.901 22.559 -17.071 1.00 25.00 C ATOM 883 NH1 ARG A 650 -5.197 23.344 -16.293 1.00 25.00 N ATOM 884 NH2 ARG A 650 -7.003 23.023 -17.597 1.00 25.00 N ATOM 0 H ARG A 650 -2.033 18.430 -19.256 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.882 16.528 -17.194 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.968 18.267 -15.865 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -2.004 19.136 -17.043 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -4.163 19.332 -18.514 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -5.063 18.685 -17.156 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -4.336 20.604 -15.756 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -3.427 21.249 -17.108 1.00 25.00 H new ATOM 0 HE ARG A 650 -6.128 20.771 -17.965 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -4.328 23.006 -15.879 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -5.518 24.293 -16.101 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -7.562 22.433 -18.213 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -7.305 23.975 -17.391 1.00 25.00 H new ATOM 898 N LEU A 651 -4.282 15.561 -16.928 1.00 25.00 N ATOM 899 CA LEU A 651 -5.696 15.220 -16.704 1.00 25.00 C ATOM 900 C LEU A 651 -5.923 14.731 -15.267 1.00 25.00 C ATOM 901 O LEU A 651 -5.045 14.077 -14.695 1.00 25.00 O ATOM 902 CB LEU A 651 -6.298 14.301 -17.774 1.00 25.00 C ATOM 903 CG LEU A 651 -7.164 14.982 -18.887 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.686 16.481 -18.621 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.412 14.966 -20.214 1.00 25.00 C ATOM 0 H LEU A 651 -3.616 15.021 -16.376 1.00 25.00 H new ATOM 0 HA LEU A 651 -6.262 16.144 -16.820 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.482 13.765 -18.259 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.915 13.555 -17.273 1.00 25.00 H new ATOM 0 HG LEU A 651 -8.068 14.373 -18.895 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.271 16.820 -19.476 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.309 16.496 -17.727 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.832 17.144 -18.479 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -7.021 15.441 -20.983 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.473 15.510 -20.107 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.204 13.936 -20.502 1.00 25.00 H new ATOM 917 N PRO A 652 -7.092 15.050 -14.661 1.00 25.00 N ATOM 918 CA PRO A 652 -7.317 14.576 -13.292 1.00 25.00 C ATOM 919 C PRO A 652 -7.706 13.106 -13.250 1.00 25.00 C ATOM 920 O PRO A 652 -8.116 12.535 -14.256 1.00 25.00 O ATOM 921 CB PRO A 652 -8.475 15.454 -12.820 1.00 25.00 C ATOM 922 CG PRO A 652 -9.270 15.668 -14.039 1.00 25.00 C ATOM 923 CD PRO A 652 -8.251 15.829 -15.141 1.00 25.00 C ATOM 0 HA PRO A 652 -6.424 14.647 -12.672 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -9.059 14.962 -12.042 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -8.119 16.396 -12.404 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.932 14.824 -14.233 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.900 16.553 -13.950 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.625 15.447 -16.091 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.993 16.876 -15.298 1.00 25.00 H new ATOM 931 N SER A 653 -7.583 12.517 -12.069 1.00 25.00 N ATOM 932 CA SER A 653 -7.837 11.097 -11.827 1.00 25.00 C ATOM 933 C SER A 653 -9.121 10.484 -12.401 1.00 25.00 C ATOM 934 O SER A 653 -9.125 9.320 -12.784 1.00 25.00 O ATOM 935 CB SER A 653 -7.867 10.910 -10.317 1.00 25.00 C ATOM 936 OG SER A 653 -6.891 11.751 -9.717 1.00 25.00 O ATOM 0 H SER A 653 -7.297 13.022 -11.230 1.00 25.00 H new ATOM 0 HA SER A 653 -7.040 10.574 -12.355 1.00 25.00 H new ATOM 0 HB2 SER A 653 -8.857 11.150 -9.930 1.00 25.00 H new ATOM 0 HB3 SER A 653 -7.670 9.868 -10.065 1.00 25.00 H new ATOM 0 HG SER A 653 -6.040 11.656 -10.194 1.00 25.00 H new ATOM 942 N GLY A 654 -10.198 11.256 -12.446 1.00 25.00 N ATOM 943 CA GLY A 654 -11.483 10.740 -12.903 1.00 25.00 C ATOM 944 C GLY A 654 -11.946 11.218 -14.265 1.00 25.00 C ATOM 945 O GLY A 654 -13.146 11.280 -14.509 1.00 25.00 O ATOM 0 H GLY A 654 -10.209 12.239 -12.173 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.429 9.651 -12.921 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.242 11.009 -12.168 1.00 25.00 H new ATOM 949 N SER A 655 -11.029 11.570 -15.153 1.00 25.00 N ATOM 950 CA SER A 655 -11.432 12.019 -16.491 1.00 25.00 C ATOM 951 C SER A 655 -11.814 10.780 -17.310 1.00 25.00 C ATOM 952 O SER A 655 -11.082 9.805 -17.334 1.00 25.00 O ATOM 953 CB SER A 655 -10.303 12.802 -17.162 1.00 25.00 C ATOM 954 OG SER A 655 -10.758 13.451 -18.341 1.00 25.00 O ATOM 0 H SER A 655 -10.023 11.557 -14.985 1.00 25.00 H new ATOM 0 HA SER A 655 -12.287 12.692 -16.422 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.907 13.542 -16.466 1.00 25.00 H new ATOM 0 HB3 SER A 655 -9.485 12.126 -17.409 1.00 25.00 H new ATOM 0 HG SER A 655 -10.651 12.850 -19.107 1.00 25.00 H new ATOM 960 N ASP A 656 -12.968 10.823 -17.962 1.00 25.00 N ATOM 961 CA ASP A 656 -13.479 9.671 -18.723 1.00 25.00 C ATOM 962 C ASP A 656 -12.697 9.415 -20.011 1.00 25.00 C ATOM 963 O ASP A 656 -12.441 8.265 -20.397 1.00 25.00 O ATOM 964 CB ASP A 656 -14.945 9.927 -19.078 1.00 25.00 C ATOM 965 CG ASP A 656 -15.442 9.020 -20.186 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.673 7.823 -19.935 1.00 25.00 O ATOM 967 OD2 ASP A 656 -15.592 9.515 -21.326 1.00 25.00 O ATOM 0 H ASP A 656 -13.576 11.642 -17.984 1.00 25.00 H new ATOM 0 HA ASP A 656 -13.367 8.788 -18.094 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.561 9.782 -18.190 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.065 10.967 -19.383 1.00 25.00 H new ATOM 972 N HIS A 657 -12.306 10.491 -20.667 1.00 25.00 N ATOM 973 CA HIS A 657 -11.531 10.425 -21.896 1.00 25.00 C ATOM 974 C HIS A 657 -10.726 11.706 -21.945 1.00 25.00 C ATOM 975 O HIS A 657 -10.938 12.601 -21.124 1.00 25.00 O ATOM 976 CB HIS A 657 -12.439 10.290 -23.129 1.00 25.00 C ATOM 977 CG HIS A 657 -13.301 11.486 -23.384 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.579 11.629 -22.913 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.057 12.622 -24.097 1.00 25.00 C ATOM 980 CE1 HIS A 657 -15.049 12.800 -23.331 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.163 13.448 -24.062 1.00 25.00 N ATOM 0 H HIS A 657 -12.517 11.441 -20.363 1.00 25.00 H new ATOM 0 HA HIS A 657 -10.885 9.547 -21.907 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -11.818 10.109 -24.006 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.077 9.415 -23.004 1.00 25.00 H new ATOM 0 HD1 HIS A 657 -15.084 10.953 -22.340 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.135 12.843 -24.613 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -16.035 13.175 -23.100 1.00 25.00 H new ATOM 989 N VAL A 658 -9.819 11.802 -22.901 1.00 25.00 N ATOM 990 CA VAL A 658 -9.013 13.001 -23.088 1.00 25.00 C ATOM 991 C VAL A 658 -9.242 13.497 -24.507 1.00 25.00 C ATOM 992 O VAL A 658 -9.146 12.737 -25.469 1.00 25.00 O ATOM 993 CB VAL A 658 -7.491 12.726 -22.811 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.090 11.316 -23.220 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.594 13.754 -23.531 1.00 25.00 C ATOM 0 H VAL A 658 -9.619 11.056 -23.568 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.314 13.766 -22.372 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.345 12.826 -21.735 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.031 11.164 -23.013 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.677 10.592 -22.655 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.274 11.180 -24.286 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.547 13.536 -23.319 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.766 13.697 -24.606 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -6.834 14.757 -23.178 1.00 25.00 H new ATOM 1005 N MET A 659 -9.556 14.778 -24.626 1.00 25.00 N ATOM 1006 CA MET A 659 -9.749 15.411 -25.924 1.00 25.00 C ATOM 1007 C MET A 659 -8.441 16.118 -26.266 1.00 25.00 C ATOM 1008 O MET A 659 -7.959 16.948 -25.493 1.00 25.00 O ATOM 1009 CB MET A 659 -10.908 16.412 -25.856 1.00 25.00 C ATOM 1010 CG MET A 659 -11.857 16.331 -27.041 1.00 25.00 C ATOM 1011 SD MET A 659 -11.101 16.897 -28.577 1.00 25.00 S ATOM 1012 CE MET A 659 -12.339 16.370 -29.822 1.00 25.00 C ATOM 0 H MET A 659 -9.684 15.405 -23.832 1.00 25.00 H new ATOM 0 HA MET A 659 -10.001 14.677 -26.689 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.471 16.240 -24.939 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.501 17.422 -25.796 1.00 25.00 H new ATOM 0 HG2 MET A 659 -12.192 15.301 -27.164 1.00 25.00 H new ATOM 0 HG3 MET A 659 -12.743 16.932 -26.834 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.394 17.113 -30.618 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.045 15.408 -30.243 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.315 16.275 -29.347 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.862 15.783 -27.407 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.611 16.388 -27.854 1.00 25.00 C ATOM 1024 C LEU A 660 -6.913 17.339 -28.989 1.00 25.00 C ATOM 1025 O LEU A 660 -7.863 17.135 -29.733 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.629 15.324 -28.352 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.095 14.309 -27.334 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.115 13.395 -28.037 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.399 15.016 -26.162 1.00 25.00 C ATOM 0 H LEU A 660 -8.241 15.087 -28.050 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.157 16.912 -27.013 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.115 14.769 -29.154 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.774 15.837 -28.792 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.929 13.735 -26.930 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.724 12.666 -27.327 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.621 12.875 -28.850 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.292 13.985 -28.441 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.030 14.272 -25.456 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.563 15.606 -26.538 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.109 15.673 -25.660 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.089 18.369 -29.115 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.231 19.399 -30.147 1.00 25.00 C ATOM 1043 C LYS A 661 -4.818 19.789 -30.529 1.00 25.00 C ATOM 1044 O LYS A 661 -3.881 19.312 -29.901 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.018 20.597 -29.592 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.486 20.511 -29.944 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.352 21.516 -29.248 1.00 25.00 C ATOM 1048 CE LYS A 661 -10.733 21.433 -29.875 1.00 25.00 C ATOM 1049 NZ LYS A 661 -11.420 20.127 -29.577 1.00 25.00 N ATOM 0 H LYS A 661 -5.291 18.519 -28.498 1.00 25.00 H new ATOM 0 HA LYS A 661 -6.784 19.042 -31.016 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.905 20.637 -28.509 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -6.602 21.522 -29.990 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -8.596 20.639 -31.021 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.846 19.511 -29.703 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.402 21.306 -28.180 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -8.940 22.519 -29.357 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.346 22.255 -29.507 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -10.647 21.557 -30.954 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -12.405 20.169 -29.908 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -10.924 19.354 -30.065 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -11.407 19.954 -28.552 1.00 25.00 H new ATOM 1063 N SER A 662 -4.670 20.649 -31.533 1.00 25.00 N ATOM 1064 CA SER A 662 -3.348 21.093 -32.017 1.00 25.00 C ATOM 1065 C SER A 662 -2.574 19.884 -32.553 1.00 25.00 C ATOM 1066 O SER A 662 -1.456 19.599 -32.142 1.00 25.00 O ATOM 1067 CB SER A 662 -2.561 21.828 -30.912 1.00 25.00 C ATOM 1068 OG SER A 662 -1.435 22.523 -31.434 1.00 25.00 O ATOM 0 H SER A 662 -5.454 21.062 -32.038 1.00 25.00 H new ATOM 0 HA SER A 662 -3.488 21.809 -32.827 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.220 22.533 -30.405 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.228 21.109 -30.164 1.00 25.00 H new ATOM 0 HG SER A 662 -0.886 21.906 -31.961 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.209 19.178 -33.475 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.639 18.003 -34.119 1.00 25.00 C ATOM 1076 C LEU A 663 -3.082 18.085 -35.570 1.00 25.00 C ATOM 1077 O LEU A 663 -4.057 18.774 -35.875 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.137 16.717 -33.434 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.655 16.548 -33.196 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.389 15.999 -34.409 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.857 15.606 -32.017 1.00 25.00 C ATOM 0 H LEU A 663 -4.148 19.407 -33.802 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.552 17.975 -34.046 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.799 15.871 -34.032 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.640 16.643 -32.467 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.071 17.535 -32.995 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.450 15.903 -34.179 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.260 16.679 -35.251 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -4.984 15.021 -34.667 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -5.924 15.475 -31.835 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.406 14.640 -32.242 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.386 16.028 -31.129 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.378 17.412 -36.462 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.716 17.478 -37.883 1.00 25.00 C ATOM 1095 C ASP A 664 -3.978 16.662 -38.086 1.00 25.00 C ATOM 1096 O ASP A 664 -4.169 15.653 -37.434 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.624 16.875 -38.771 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.282 17.594 -38.659 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.149 18.600 -37.936 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.667 17.114 -39.307 1.00 25.00 O ATOM 0 H ASP A 664 -1.578 16.820 -36.238 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.836 18.525 -38.160 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.489 15.827 -38.506 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.955 16.901 -39.809 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.836 17.084 -38.998 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.051 16.327 -39.296 1.00 25.00 C ATOM 1107 C TRP A 665 -6.013 15.765 -40.707 1.00 25.00 C ATOM 1108 O TRP A 665 -6.562 14.707 -40.960 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.283 17.208 -39.100 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.153 18.564 -39.732 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.579 19.669 -39.192 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.619 18.976 -41.033 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.638 20.733 -40.037 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.267 20.351 -41.188 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.292 18.325 -42.086 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.563 21.079 -42.358 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.593 19.057 -43.266 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.222 20.427 -43.385 1.00 25.00 C ATOM 0 H TRP A 665 -4.721 17.938 -39.544 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.108 15.487 -38.604 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.153 16.702 -39.519 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.468 17.329 -38.033 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.130 19.700 -38.210 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.272 21.665 -39.843 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.574 17.286 -41.998 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.283 22.118 -42.450 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.108 18.570 -44.081 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.459 20.965 -44.291 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.350 16.472 -41.613 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.261 16.063 -43.019 1.00 25.00 C ATOM 1131 C ASN A 666 -3.974 15.279 -43.278 1.00 25.00 C ATOM 1132 O ASN A 666 -3.544 15.126 -44.417 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.286 17.302 -43.920 1.00 25.00 C ATOM 1134 CG ASN A 666 -5.813 17.004 -45.297 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -6.934 16.570 -45.458 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -5.009 17.246 -46.293 1.00 25.00 N ATOM 0 H ASN A 666 -4.860 17.341 -41.401 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.114 15.422 -43.243 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.904 18.071 -43.457 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -4.278 17.709 -44.001 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -5.315 17.071 -47.250 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -4.073 17.611 -46.116 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.359 14.809 -42.204 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.116 14.054 -42.270 1.00 25.00 C ATOM 1145 C ALA A 667 -2.134 13.127 -41.066 1.00 25.00 C ATOM 1146 O ALA A 667 -2.951 13.308 -40.161 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.905 14.995 -42.221 1.00 25.00 C ATOM 0 H ALA A 667 -3.710 14.941 -41.255 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.034 13.495 -43.202 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.013 14.410 -42.272 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.944 15.682 -43.066 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.923 15.562 -41.291 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.251 12.145 -41.061 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.224 11.146 -40.001 1.00 25.00 C ATOM 1155 C GLU A 668 -0.462 11.640 -38.781 1.00 25.00 C ATOM 1156 O GLU A 668 0.528 12.377 -38.893 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.599 9.819 -40.482 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.114 9.753 -41.954 1.00 25.00 C ATOM 1159 CD GLU A 668 -1.237 9.518 -42.971 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -1.918 10.481 -43.368 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -1.432 8.354 -43.385 1.00 25.00 O ATOM 0 H GLU A 668 -0.540 12.015 -41.780 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.263 10.969 -39.723 1.00 25.00 H new ATOM 0 HB2 GLU A 668 0.250 9.593 -39.837 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.333 9.027 -40.333 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.396 10.685 -42.200 1.00 25.00 H new ATOM 0 HG3 GLU A 668 0.621 8.953 -42.048 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.923 11.211 -37.617 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.302 11.567 -36.351 1.00 25.00 C ATOM 1170 C TYR A 669 -0.380 10.400 -35.386 1.00 25.00 C ATOM 1171 O TYR A 669 -1.202 9.503 -35.557 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.989 12.796 -35.759 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.449 12.639 -35.467 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.405 12.893 -36.465 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.894 12.254 -34.188 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.778 12.783 -36.196 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.272 12.142 -33.910 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.201 12.416 -34.925 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.540 12.342 -34.693 1.00 25.00 O ATOM 0 H TYR A 669 -1.739 10.606 -37.523 1.00 25.00 H new ATOM 0 HA TYR A 669 0.748 11.804 -36.525 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.478 13.066 -34.835 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.862 13.630 -36.449 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.078 13.177 -37.454 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.173 12.042 -33.412 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.501 12.983 -36.973 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.608 11.849 -32.927 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.925 11.618 -35.229 1.00 25.00 H new ATOM 1189 N GLU A 670 0.485 10.415 -34.384 1.00 25.00 N ATOM 1190 CA GLU A 670 0.583 9.339 -33.402 1.00 25.00 C ATOM 1191 C GLU A 670 0.348 9.903 -32.003 1.00 25.00 C ATOM 1192 O GLU A 670 0.721 11.042 -31.708 1.00 25.00 O ATOM 1193 CB GLU A 670 1.966 8.673 -33.493 1.00 25.00 C ATOM 1194 CG GLU A 670 3.144 9.614 -33.200 1.00 25.00 C ATOM 1195 CD GLU A 670 4.489 8.974 -33.499 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.803 7.929 -32.899 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.242 9.529 -34.333 1.00 25.00 O ATOM 0 H GLU A 670 1.144 11.177 -34.226 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.177 8.585 -33.609 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.001 7.838 -32.793 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.090 8.256 -34.492 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.037 10.521 -33.795 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.113 9.914 -32.153 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.283 9.109 -31.149 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.599 9.522 -29.782 1.00 25.00 C ATOM 1206 C VAL A 671 -0.194 8.431 -28.803 1.00 25.00 C ATOM 1207 O VAL A 671 -0.533 7.278 -29.013 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.132 9.737 -29.619 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.485 10.167 -28.185 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.662 10.774 -30.629 1.00 25.00 C ATOM 0 H VAL A 671 -0.591 8.164 -31.379 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.059 10.448 -29.582 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.615 8.781 -29.821 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.563 10.309 -28.103 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.166 9.395 -27.485 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.977 11.102 -27.950 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.735 10.902 -30.490 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.159 11.728 -30.469 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.467 10.427 -31.644 1.00 25.00 H new ATOM 1220 N TYR A 672 0.502 8.804 -27.737 1.00 25.00 N ATOM 1221 CA TYR A 672 0.885 7.890 -26.658 1.00 25.00 C ATOM 1222 C TYR A 672 0.255 8.403 -25.375 1.00 25.00 C ATOM 1223 O TYR A 672 0.225 9.607 -25.133 1.00 25.00 O ATOM 1224 CB TYR A 672 2.404 7.860 -26.476 1.00 25.00 C ATOM 1225 CG TYR A 672 3.094 6.995 -27.492 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.565 5.711 -27.143 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.271 7.441 -28.811 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.180 4.875 -28.109 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.901 6.613 -29.782 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.343 5.335 -29.422 1.00 25.00 C ATOM 1231 OH TYR A 672 4.929 4.522 -30.357 1.00 25.00 O ATOM 0 H TYR A 672 0.823 9.761 -27.591 1.00 25.00 H new ATOM 0 HA TYR A 672 0.547 6.883 -26.901 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.794 8.876 -26.545 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.639 7.496 -25.476 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.456 5.361 -26.127 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.925 8.425 -29.092 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.521 3.888 -27.834 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.037 6.969 -30.792 1.00 25.00 H new ATOM 0 HH TYR A 672 4.967 4.988 -31.218 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.246 7.499 -24.552 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.887 7.872 -23.296 1.00 25.00 C ATOM 1243 C VAL A 673 -0.476 6.864 -22.222 1.00 25.00 C ATOM 1244 O VAL A 673 -0.388 5.657 -22.484 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.449 7.952 -23.487 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -2.993 6.692 -24.186 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.171 8.198 -22.151 1.00 25.00 C ATOM 0 H VAL A 673 -0.223 6.495 -24.729 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.563 8.862 -22.975 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.652 8.806 -24.133 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.073 6.778 -24.303 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.529 6.591 -25.167 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.762 5.813 -23.583 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.246 8.247 -22.322 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.950 7.382 -21.463 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.829 9.139 -21.720 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.210 7.368 -21.021 1.00 25.00 N ATOM 1258 CA VAL A 674 0.151 6.536 -19.871 1.00 25.00 C ATOM 1259 C VAL A 674 -0.600 7.054 -18.649 1.00 25.00 C ATOM 1260 O VAL A 674 -1.058 8.203 -18.618 1.00 25.00 O ATOM 1261 CB VAL A 674 1.691 6.553 -19.563 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.474 5.888 -20.679 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.201 7.970 -19.353 1.00 25.00 C ATOM 0 H VAL A 674 -0.238 8.366 -20.814 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.120 5.507 -20.109 1.00 25.00 H new ATOM 0 HB VAL A 674 1.841 5.992 -18.641 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.538 5.913 -20.442 1.00 25.00 H new ATOM 0 HG12 VAL A 674 2.150 4.853 -20.784 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.298 6.420 -21.614 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.270 7.944 -19.142 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.023 8.558 -20.253 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.676 8.425 -18.513 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.709 6.204 -17.642 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.363 6.548 -16.391 1.00 25.00 C ATOM 1275 C ALA A 675 -0.326 6.453 -15.280 1.00 25.00 C ATOM 1276 O ALA A 675 0.588 5.633 -15.354 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.510 5.589 -16.135 1.00 25.00 C ATOM 0 H ALA A 675 -0.345 5.252 -17.669 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.770 7.558 -16.432 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -2.999 5.849 -15.196 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.230 5.657 -16.950 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.126 4.571 -16.074 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.473 7.274 -14.257 1.00 25.00 N ATOM 1284 CA GLU A 676 0.409 7.239 -13.099 1.00 25.00 C ATOM 1285 C GLU A 676 -0.460 7.078 -11.866 1.00 25.00 C ATOM 1286 O GLU A 676 -1.305 7.925 -11.588 1.00 25.00 O ATOM 1287 CB GLU A 676 1.215 8.540 -13.014 1.00 25.00 C ATOM 1288 CG GLU A 676 2.278 8.536 -11.928 1.00 25.00 C ATOM 1289 CD GLU A 676 1.982 9.514 -10.799 1.00 25.00 C ATOM 1290 OE1 GLU A 676 0.967 9.364 -10.086 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.786 10.446 -10.613 1.00 25.00 O ATOM 0 H GLU A 676 -1.204 7.983 -14.202 1.00 25.00 H new ATOM 0 HA GLU A 676 1.114 6.411 -13.178 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.693 8.723 -13.976 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.530 9.369 -12.835 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.365 7.530 -11.516 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.243 8.783 -12.371 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.273 5.997 -11.127 1.00 25.00 N ATOM 1299 CA ASN A 677 -1.035 5.794 -9.907 1.00 25.00 C ATOM 1300 C ASN A 677 -0.088 6.103 -8.765 1.00 25.00 C ATOM 1301 O ASN A 677 1.077 6.401 -8.979 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.751 4.416 -9.844 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.879 3.274 -9.362 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.310 3.398 -9.171 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.497 2.143 -9.160 1.00 25.00 N ATOM 0 H ASN A 677 0.391 5.255 -11.347 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.890 6.468 -9.850 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.615 4.500 -9.184 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.130 4.173 -10.836 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.977 1.329 -8.831 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.500 2.072 -9.331 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.597 6.059 -7.553 1.00 25.00 N ATOM 1313 CA GLN A 678 0.170 6.473 -6.388 1.00 25.00 C ATOM 1314 C GLN A 678 1.387 5.575 -6.054 1.00 25.00 C ATOM 1315 O GLN A 678 2.141 5.873 -5.137 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.841 6.605 -5.243 1.00 25.00 C ATOM 1317 CG GLN A 678 -0.370 7.379 -4.003 1.00 25.00 C ATOM 1318 CD GLN A 678 0.222 6.483 -2.920 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -0.322 5.435 -2.600 1.00 25.00 O ATOM 1320 NE2 GLN A 678 1.324 6.896 -2.353 1.00 25.00 N ATOM 0 H GLN A 678 -1.543 5.740 -7.343 1.00 25.00 H new ATOM 0 HA GLN A 678 0.661 7.426 -6.586 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.735 7.093 -5.631 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -1.135 5.603 -4.929 1.00 25.00 H new ATOM 0 HG2 GLN A 678 0.376 8.114 -4.304 1.00 25.00 H new ATOM 0 HG3 GLN A 678 -1.212 7.932 -3.587 1.00 25.00 H new ATOM 0 HE21 GLN A 678 1.750 7.776 -2.646 1.00 25.00 H new ATOM 0 HE22 GLN A 678 1.759 6.339 -1.618 1.00 25.00 H new ATOM 1329 N GLN A 679 1.587 4.501 -6.812 1.00 25.00 N ATOM 1330 CA GLN A 679 2.725 3.598 -6.607 1.00 25.00 C ATOM 1331 C GLN A 679 3.655 3.451 -7.822 1.00 25.00 C ATOM 1332 O GLN A 679 4.824 3.119 -7.657 1.00 25.00 O ATOM 1333 CB GLN A 679 2.201 2.215 -6.239 1.00 25.00 C ATOM 1334 CG GLN A 679 2.626 1.736 -4.844 1.00 25.00 C ATOM 1335 CD GLN A 679 1.964 2.487 -3.686 1.00 25.00 C ATOM 1336 OE1 GLN A 679 2.500 2.516 -2.582 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.819 3.069 -3.918 1.00 25.00 N ATOM 0 H GLN A 679 0.973 4.230 -7.580 1.00 25.00 H new ATOM 0 HA GLN A 679 3.320 4.046 -5.811 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.112 2.224 -6.292 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.550 1.496 -6.980 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.394 0.675 -4.752 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.708 1.835 -4.754 1.00 25.00 H new ATOM 0 HE21 GLN A 679 0.403 3.024 -4.848 1.00 25.00 H new ATOM 0 HE22 GLN A 679 0.340 3.569 -3.169 1.00 25.00 H new ATOM 1346 N GLY A 680 3.146 3.678 -9.026 1.00 25.00 N ATOM 1347 CA GLY A 680 3.945 3.495 -10.230 1.00 25.00 C ATOM 1348 C GLY A 680 3.196 3.896 -11.487 1.00 25.00 C ATOM 1349 O GLY A 680 2.187 4.596 -11.405 1.00 25.00 O ATOM 0 H GLY A 680 2.189 3.987 -9.194 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.858 4.085 -10.150 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.247 2.450 -10.308 1.00 25.00 H new ATOM 1353 N LYS A 681 3.672 3.480 -12.655 1.00 25.00 N ATOM 1354 CA LYS A 681 3.072 3.909 -13.930 1.00 25.00 C ATOM 1355 C LYS A 681 2.651 2.759 -14.819 1.00 25.00 C ATOM 1356 O LYS A 681 3.102 1.638 -14.674 1.00 25.00 O ATOM 1357 CB LYS A 681 4.038 4.808 -14.696 1.00 25.00 C ATOM 1358 CG LYS A 681 4.360 6.089 -13.944 1.00 25.00 C ATOM 1359 CD LYS A 681 5.010 7.138 -14.831 1.00 25.00 C ATOM 1360 CE LYS A 681 6.352 6.656 -15.352 1.00 25.00 C ATOM 1361 NZ LYS A 681 7.158 7.792 -15.912 1.00 25.00 N ATOM 0 H LYS A 681 4.467 2.849 -12.754 1.00 25.00 H new ATOM 0 HA LYS A 681 2.168 4.457 -13.664 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.961 4.262 -14.890 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.606 5.058 -15.665 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.443 6.496 -13.518 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.025 5.860 -13.111 1.00 25.00 H new ATOM 0 HD2 LYS A 681 4.352 7.369 -15.669 1.00 25.00 H new ATOM 0 HD3 LYS A 681 5.145 8.062 -14.268 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.907 6.176 -14.546 1.00 25.00 H new ATOM 0 HE3 LYS A 681 6.196 5.902 -16.124 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 8.070 7.432 -16.260 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 6.637 8.233 -16.697 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 7.326 8.498 -15.167 1.00 25.00 H new ATOM 1375 N SER A 682 1.760 3.067 -15.742 1.00 25.00 N ATOM 1376 CA SER A 682 1.193 2.066 -16.633 1.00 25.00 C ATOM 1377 C SER A 682 2.030 1.864 -17.872 1.00 25.00 C ATOM 1378 O SER A 682 2.876 2.694 -18.219 1.00 25.00 O ATOM 1379 CB SER A 682 -0.209 2.496 -17.076 1.00 25.00 C ATOM 1380 OG SER A 682 -0.146 3.418 -18.157 1.00 25.00 O ATOM 0 H SER A 682 1.409 4.012 -15.897 1.00 25.00 H new ATOM 0 HA SER A 682 1.160 1.130 -16.075 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.784 1.619 -17.375 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.735 2.951 -16.237 1.00 25.00 H new ATOM 0 HG SER A 682 -0.043 2.928 -18.999 1.00 25.00 H new ATOM 1386 N LYS A 683 1.759 0.775 -18.576 1.00 25.00 N ATOM 1387 CA LYS A 683 2.358 0.558 -19.878 1.00 25.00 C ATOM 1388 C LYS A 683 1.734 1.596 -20.791 1.00 25.00 C ATOM 1389 O LYS A 683 0.583 1.983 -20.593 1.00 25.00 O ATOM 1390 CB LYS A 683 2.005 -0.828 -20.392 1.00 25.00 C ATOM 1391 CG LYS A 683 3.145 -1.832 -20.298 1.00 25.00 C ATOM 1392 CD LYS A 683 2.702 -3.228 -20.748 1.00 25.00 C ATOM 1393 CE LYS A 683 2.227 -3.220 -22.201 1.00 25.00 C ATOM 1394 NZ LYS A 683 1.887 -4.597 -22.703 1.00 25.00 N ATOM 0 H LYS A 683 1.131 0.033 -18.267 1.00 25.00 H new ATOM 0 HA LYS A 683 3.444 0.638 -19.835 1.00 25.00 H new ATOM 0 HB2 LYS A 683 1.153 -1.207 -19.828 1.00 25.00 H new ATOM 0 HB3 LYS A 683 1.689 -0.749 -21.432 1.00 25.00 H new ATOM 0 HG2 LYS A 683 3.978 -1.497 -20.916 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.507 -1.878 -19.271 1.00 25.00 H new ATOM 0 HD2 LYS A 683 3.531 -3.928 -20.638 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.898 -3.582 -20.103 1.00 25.00 H new ATOM 0 HE2 LYS A 683 1.351 -2.578 -22.290 1.00 25.00 H new ATOM 0 HE3 LYS A 683 3.004 -2.788 -22.832 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 1.571 -4.538 -23.692 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 2.728 -5.205 -22.645 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 1.127 -5.001 -22.120 1.00 25.00 H new ATOM 1408 N ALA A 684 2.477 2.033 -21.788 1.00 25.00 N ATOM 1409 CA ALA A 684 1.951 2.986 -22.748 1.00 25.00 C ATOM 1410 C ALA A 684 1.003 2.281 -23.702 1.00 25.00 C ATOM 1411 O ALA A 684 1.196 1.109 -24.035 1.00 25.00 O ATOM 1412 CB ALA A 684 3.106 3.630 -23.532 1.00 25.00 C ATOM 0 H ALA A 684 3.441 1.746 -21.955 1.00 25.00 H new ATOM 0 HA ALA A 684 1.406 3.767 -22.217 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.704 4.344 -24.251 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.772 4.147 -22.841 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.662 2.856 -24.061 1.00 25.00 H new ATOM 1418 N ALA A 685 0.007 3.020 -24.154 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.890 2.565 -25.198 1.00 25.00 C ATOM 1420 C ALA A 685 -0.730 3.650 -26.252 1.00 25.00 C ATOM 1421 O ALA A 685 -0.618 4.829 -25.902 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.334 2.477 -24.694 1.00 25.00 C ATOM 0 H ALA A 685 -0.203 3.956 -23.806 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.664 1.564 -25.566 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.981 2.133 -25.501 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.387 1.775 -23.862 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.663 3.461 -24.360 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.695 3.263 -27.515 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.511 4.215 -28.596 1.00 25.00 C ATOM 1430 C HIS A 686 -1.348 3.876 -29.807 1.00 25.00 C ATOM 1431 O HIS A 686 -1.627 2.708 -30.070 1.00 25.00 O ATOM 1432 CB HIS A 686 0.958 4.296 -28.985 1.00 25.00 C ATOM 1433 CG HIS A 686 1.540 2.994 -29.443 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.653 2.614 -30.754 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.069 1.963 -28.728 1.00 25.00 C ATOM 1436 CE1 HIS A 686 2.222 1.413 -30.792 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.499 0.968 -29.582 1.00 25.00 N ATOM 0 H HIS A 686 -0.792 2.294 -27.818 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.845 5.185 -28.229 1.00 25.00 H new ATOM 0 HB2 HIS A 686 1.073 5.033 -29.780 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.530 4.657 -28.130 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.141 1.929 -27.651 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.431 0.869 -31.701 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.936 0.081 -29.332 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.758 4.904 -30.534 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.546 4.722 -31.744 1.00 25.00 C ATOM 1447 C PHE A 687 -2.165 5.786 -32.763 1.00 25.00 C ATOM 1448 O PHE A 687 -1.629 6.834 -32.400 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.049 4.723 -31.430 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.659 6.095 -31.264 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.529 6.814 -30.057 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.393 6.669 -32.319 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.150 8.091 -29.903 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.006 7.930 -32.173 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.888 8.643 -30.968 1.00 25.00 C ATOM 0 H PHE A 687 -1.557 5.878 -30.306 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.325 3.747 -32.177 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.574 4.202 -32.231 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.216 4.153 -30.516 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -3.955 6.396 -29.243 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.488 6.136 -33.253 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.054 8.632 -28.973 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.570 8.351 -32.992 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.360 9.608 -30.859 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.420 5.494 -34.030 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.081 6.386 -35.139 1.00 25.00 C ATOM 1467 C VAL A 688 -3.399 6.692 -35.833 1.00 25.00 C ATOM 1468 O VAL A 688 -4.242 5.803 -35.962 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.077 5.698 -36.124 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.735 6.613 -37.317 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.220 5.320 -35.382 1.00 25.00 C ATOM 0 H VAL A 688 -2.871 4.627 -34.324 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.591 7.294 -34.788 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.559 4.799 -36.508 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.036 6.102 -37.979 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.646 6.851 -37.866 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.281 7.534 -36.951 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.911 4.842 -36.077 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.681 6.219 -34.973 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.013 4.631 -34.570 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.597 7.933 -36.254 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.863 8.340 -36.856 1.00 25.00 C ATOM 1483 C PHE A 689 -4.668 9.445 -37.892 1.00 25.00 C ATOM 1484 O PHE A 689 -3.648 10.122 -37.890 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.771 8.842 -35.734 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.239 8.742 -36.039 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.931 9.825 -36.614 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -7.945 7.564 -35.735 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.317 9.739 -36.878 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.333 7.466 -35.992 1.00 25.00 C ATOM 1491 CZ PHE A 689 -10.019 8.557 -36.559 1.00 25.00 C ATOM 0 H PHE A 689 -2.900 8.675 -36.191 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.305 7.488 -37.372 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -5.560 8.273 -34.829 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.526 9.882 -35.521 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.397 10.732 -36.856 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -7.422 6.725 -35.301 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.837 10.575 -37.322 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -9.865 6.557 -35.754 1.00 25.00 H new ATOM 0 HZ PHE A 689 -11.080 8.489 -36.749 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.662 9.615 -38.758 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.716 10.681 -39.770 1.00 25.00 C ATOM 1503 C ARG A 690 -7.175 10.724 -40.182 1.00 25.00 C ATOM 1504 O ARG A 690 -7.878 9.734 -39.996 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.822 10.416 -41.003 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.336 8.973 -41.250 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.113 8.282 -42.351 1.00 25.00 C ATOM 1508 NE ARG A 690 -4.242 8.144 -43.524 1.00 25.00 N ATOM 1509 CZ ARG A 690 -4.573 7.611 -44.687 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -5.768 7.137 -44.933 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -3.666 7.558 -45.618 1.00 25.00 N ATOM 0 H ARG A 690 -6.477 9.002 -38.781 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.341 11.618 -39.358 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.370 10.740 -41.888 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.943 11.055 -40.921 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.278 8.989 -41.511 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.429 8.399 -40.328 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -5.454 7.302 -42.016 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -6.002 8.859 -42.606 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.288 8.494 -43.433 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -6.488 7.170 -44.212 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -5.979 6.734 -45.846 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -2.730 7.922 -45.439 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -3.891 7.152 -46.526 1.00 25.00 H new ATOM 1525 N THR A 691 -7.641 11.840 -40.719 1.00 25.00 N ATOM 1526 CA THR A 691 -9.042 11.977 -41.124 1.00 25.00 C ATOM 1527 C THR A 691 -9.064 12.822 -42.399 1.00 25.00 C ATOM 1528 O THR A 691 -8.007 13.152 -42.921 1.00 25.00 O ATOM 1529 CB THR A 691 -9.909 12.587 -39.969 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.298 12.516 -40.312 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.555 14.037 -39.674 1.00 25.00 C ATOM 0 H THR A 691 -7.072 12.670 -40.887 1.00 25.00 H new ATOM 0 HA THR A 691 -9.488 11.004 -41.330 1.00 25.00 H new ATOM 0 HB THR A 691 -9.699 11.999 -39.075 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.834 12.897 -39.586 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.186 14.408 -38.866 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.508 14.103 -39.377 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.717 14.640 -40.567 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.257 13.145 -42.898 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.437 13.954 -44.120 1.00 25.00 C ATOM 1541 C HIS A 692 -9.724 13.334 -45.336 1.00 25.00 C ATOM 1542 O HIS A 692 -9.350 14.017 -46.281 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.955 15.394 -43.873 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.608 16.412 -44.759 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.790 17.047 -44.471 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -10.215 16.924 -45.958 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -12.063 17.888 -45.465 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -11.137 17.855 -46.400 1.00 25.00 N ATOM 0 H HIS A 692 -11.136 12.855 -42.469 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.501 13.971 -44.355 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -10.145 15.657 -42.832 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.876 15.436 -44.021 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -9.315 16.644 -46.486 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.938 18.521 -45.500 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -11.106 18.398 -47.263 1.00 25.00 H new