USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 616 SER OG : rot -80:sc= 0.403 USER MOD Set 1.2: A 659 MET CE :methyl -121:sc= 0 (180deg=-1.35) USER MOD Set 2.1: A 629 SER OG : rot 1:sc= 0.467 USER MOD Set 2.2: A 679 GLN : amide:sc= -0.419 X(o=0.049,f=0.22) USER MOD Set 3.1: A 623 LYS NZ :NH3+ 180:sc= 0.692 (180deg=0) USER MOD Set 3.2: A 624 GLN : amide:sc= -0.462 K(o=0.23,f=-1.3) USER MOD Set 4.1: A 605 LYS NZ :NH3+ 141:sc= 1.87 (180deg=0.605) USER MOD Set 4.2: A 609 GLN : amide:sc= 0.0304 K(o=1.9,f=-2.3!) USER MOD Set 4.3: A 620 ASN : amide:sc= 0.00531 K(o=1.9,f=-6.4!) USER MOD Single : A 602 SER OG : rot 180:sc=-0.00341 USER MOD Single : A 610 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 ASN : amide:sc= 0.731 K(o=0.73,f=-0.36) USER MOD Single : A 618 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 633 HIS : no HE2:sc= -0.0987 K(o=-0.099,f=-3.5!) USER MOD Single : A 634 TYR OH : rot 69:sc= 0.631 USER MOD Single : A 638 TYR OH : rot 22:sc= 0.135 USER MOD Single : A 642 SER OG : rot -40:sc= 0.589 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 646 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.17) USER MOD Single : A 653 SER OG : rot -43:sc= 0.739 USER MOD Single : A 655 SER OG : rot -106:sc= 1.18 USER MOD Single : A 657 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 661 LYS NZ :NH3+ -178:sc= 0.853 (180deg=0.792) USER MOD Single : A 662 SER OG : rot -60:sc= 0.103 USER MOD Single : A 666 ASN : amide:sc= 0.396 K(o=0.4,f=-3.7!) USER MOD Single : A 669 TYR OH : rot 63:sc= 0.35 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.591 K(o=-0.59,f=-10!) USER MOD Single : A 678 GLN : amide:sc= 0.882 K(o=0.88,f=-5.7!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 SER OG : rot 81:sc= 1.43 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 691 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.279 -2.809 -3.482 1.00 25.00 N ATOM 52 CA VAL A 598 -0.599 -2.335 -4.553 1.00 25.00 C ATOM 53 C VAL A 598 0.162 -2.312 -5.880 1.00 25.00 C ATOM 54 O VAL A 598 1.292 -1.845 -5.952 1.00 25.00 O ATOM 55 CB VAL A 598 -1.210 -0.930 -4.199 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.353 -0.170 -3.175 1.00 25.00 C ATOM 57 CG2 VAL A 598 -1.424 -0.071 -5.453 1.00 25.00 C ATOM 0 HA VAL A 598 -1.436 -3.025 -4.659 1.00 25.00 H new ATOM 0 HB VAL A 598 -2.182 -1.124 -3.746 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.813 0.795 -2.960 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.283 -0.752 -2.256 1.00 25.00 H new ATOM 0 HG13 VAL A 598 0.646 -0.013 -3.582 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.847 0.892 -5.167 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -0.468 0.087 -5.953 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -2.108 -0.581 -6.131 1.00 25.00 H new ATOM 67 N ARG A 599 -0.473 -2.837 -6.924 1.00 25.00 N ATOM 68 CA ARG A 599 0.135 -2.913 -8.258 1.00 25.00 C ATOM 69 C ARG A 599 0.049 -1.610 -9.058 1.00 25.00 C ATOM 70 O ARG A 599 -0.703 -0.684 -8.717 1.00 25.00 O ATOM 71 CB ARG A 599 -0.527 -4.041 -9.067 1.00 25.00 C ATOM 72 CG ARG A 599 -1.989 -3.771 -9.461 1.00 25.00 C ATOM 73 CD ARG A 599 -2.562 -4.936 -10.257 1.00 25.00 C ATOM 74 NE ARG A 599 -3.917 -4.652 -10.767 1.00 25.00 N ATOM 75 CZ ARG A 599 -4.787 -5.564 -11.189 1.00 25.00 C ATOM 76 NH1 ARG A 599 -4.513 -6.846 -11.190 1.00 25.00 N ATOM 77 NH2 ARG A 599 -5.954 -5.178 -11.614 1.00 25.00 N ATOM 0 H ARG A 599 -1.417 -3.220 -6.875 1.00 25.00 H new ATOM 0 HA ARG A 599 1.194 -3.112 -8.094 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.055 -4.210 -9.973 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.485 -4.961 -8.484 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.587 -3.609 -8.564 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -2.047 -2.857 -10.053 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -1.901 -5.162 -11.094 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -2.592 -5.824 -9.626 1.00 25.00 H new ATOM 0 HE ARG A 599 -4.210 -3.676 -10.798 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.606 -7.174 -10.859 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -5.207 -7.516 -11.522 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -6.192 -4.186 -11.621 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -6.631 -5.867 -11.941 1.00 25.00 H new ATOM 91 N GLU A 600 0.819 -1.574 -10.130 1.00 25.00 N ATOM 92 CA GLU A 600 0.862 -0.459 -11.072 1.00 25.00 C ATOM 93 C GLU A 600 -0.454 -0.398 -11.865 1.00 25.00 C ATOM 94 O GLU A 600 -1.189 -1.392 -11.936 1.00 25.00 O ATOM 95 CB GLU A 600 2.039 -0.672 -12.043 1.00 25.00 C ATOM 96 CG GLU A 600 3.423 -0.652 -11.377 1.00 25.00 C ATOM 97 CD GLU A 600 3.721 -1.910 -10.551 1.00 25.00 C ATOM 98 OE1 GLU A 600 3.151 -2.989 -10.848 1.00 25.00 O ATOM 99 OE2 GLU A 600 4.513 -1.809 -9.596 1.00 25.00 O ATOM 0 H GLU A 600 1.449 -2.336 -10.380 1.00 25.00 H new ATOM 0 HA GLU A 600 0.994 0.477 -10.528 1.00 25.00 H new ATOM 0 HB2 GLU A 600 1.907 -1.628 -12.550 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.007 0.103 -12.809 1.00 25.00 H new ATOM 0 HG2 GLU A 600 4.187 -0.543 -12.147 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.494 0.223 -10.731 1.00 25.00 H new ATOM 106 N PRO A 601 -0.779 0.763 -12.465 1.00 25.00 N ATOM 107 CA PRO A 601 -2.047 0.804 -13.206 1.00 25.00 C ATOM 108 C PRO A 601 -2.067 0.061 -14.545 1.00 25.00 C ATOM 109 O PRO A 601 -1.037 -0.365 -15.073 1.00 25.00 O ATOM 110 CB PRO A 601 -2.297 2.297 -13.390 1.00 25.00 C ATOM 111 CG PRO A 601 -0.971 2.952 -13.289 1.00 25.00 C ATOM 112 CD PRO A 601 -0.070 2.059 -12.499 1.00 25.00 C ATOM 0 HA PRO A 601 -2.823 0.277 -12.651 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.758 2.499 -14.357 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -2.977 2.675 -12.627 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.557 3.128 -14.282 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.063 3.924 -12.805 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.909 1.965 -12.969 1.00 25.00 H new ATOM 0 HD3 PRO A 601 0.095 2.449 -11.494 1.00 25.00 H new ATOM 120 N SER A 602 -3.269 -0.096 -15.076 1.00 25.00 N ATOM 121 CA SER A 602 -3.515 -0.828 -16.313 1.00 25.00 C ATOM 122 C SER A 602 -3.268 0.071 -17.506 1.00 25.00 C ATOM 123 O SER A 602 -3.365 1.291 -17.407 1.00 25.00 O ATOM 124 CB SER A 602 -4.967 -1.312 -16.353 1.00 25.00 C ATOM 125 OG SER A 602 -5.242 -2.017 -17.555 1.00 25.00 O ATOM 0 H SER A 602 -4.116 0.287 -14.655 1.00 25.00 H new ATOM 0 HA SER A 602 -2.839 -1.682 -16.350 1.00 25.00 H new ATOM 0 HB2 SER A 602 -5.161 -1.958 -15.497 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.640 -0.459 -16.267 1.00 25.00 H new ATOM 0 HG SER A 602 -6.175 -2.316 -17.553 1.00 25.00 H new ATOM 131 N ALA A 603 -2.956 -0.537 -18.641 1.00 25.00 N ATOM 132 CA ALA A 603 -2.790 0.217 -19.871 1.00 25.00 C ATOM 133 C ALA A 603 -4.134 0.915 -20.140 1.00 25.00 C ATOM 134 O ALA A 603 -5.200 0.339 -19.870 1.00 25.00 O ATOM 135 CB ALA A 603 -2.423 -0.725 -21.029 1.00 25.00 C ATOM 0 H ALA A 603 -2.814 -1.543 -18.734 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.984 0.946 -19.784 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -2.302 -0.146 -21.945 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.490 -1.239 -20.798 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -3.217 -1.459 -21.166 1.00 25.00 H new ATOM 141 N PRO A 604 -4.106 2.152 -20.659 1.00 25.00 N ATOM 142 CA PRO A 604 -5.376 2.839 -20.906 1.00 25.00 C ATOM 143 C PRO A 604 -6.159 2.215 -22.046 1.00 25.00 C ATOM 144 O PRO A 604 -5.601 1.524 -22.899 1.00 25.00 O ATOM 145 CB PRO A 604 -4.931 4.263 -21.244 1.00 25.00 C ATOM 146 CG PRO A 604 -3.603 4.083 -21.826 1.00 25.00 C ATOM 147 CD PRO A 604 -2.960 2.998 -21.036 1.00 25.00 C ATOM 0 HA PRO A 604 -6.055 2.785 -20.055 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.615 4.740 -21.946 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.896 4.893 -20.355 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.671 3.812 -22.880 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -3.023 5.004 -21.770 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -2.227 2.448 -21.625 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.439 3.388 -20.162 1.00 25.00 H new ATOM 155 N LYS A 605 -7.462 2.455 -22.048 1.00 25.00 N ATOM 156 CA LYS A 605 -8.321 1.903 -23.101 1.00 25.00 C ATOM 157 C LYS A 605 -8.105 2.799 -24.313 1.00 25.00 C ATOM 158 O LYS A 605 -7.680 3.940 -24.155 1.00 25.00 O ATOM 159 CB LYS A 605 -9.810 1.924 -22.720 1.00 25.00 C ATOM 160 CG LYS A 605 -10.232 1.108 -21.483 1.00 25.00 C ATOM 161 CD LYS A 605 -10.075 1.841 -20.120 1.00 25.00 C ATOM 162 CE LYS A 605 -10.709 3.255 -20.064 1.00 25.00 C ATOM 163 NZ LYS A 605 -12.161 3.346 -20.488 1.00 25.00 N ATOM 0 H LYS A 605 -7.947 3.017 -21.349 1.00 25.00 H new ATOM 0 HA LYS A 605 -8.064 0.859 -23.282 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -10.102 2.961 -22.556 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.382 1.563 -23.574 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -11.275 0.813 -21.601 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.643 0.191 -21.454 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -10.523 1.226 -19.339 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -9.013 1.925 -19.889 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -10.624 3.630 -19.044 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -10.123 3.920 -20.698 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -12.662 4.015 -19.869 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -12.215 3.678 -21.472 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -12.604 2.408 -20.414 1.00 25.00 H new ATOM 177 N LEU A 606 -8.407 2.319 -25.507 1.00 25.00 N ATOM 178 CA LEU A 606 -8.287 3.151 -26.697 1.00 25.00 C ATOM 179 C LEU A 606 -9.350 2.733 -27.689 1.00 25.00 C ATOM 180 O LEU A 606 -9.332 1.620 -28.186 1.00 25.00 O ATOM 181 CB LEU A 606 -6.879 3.031 -27.319 1.00 25.00 C ATOM 182 CG LEU A 606 -6.526 3.963 -28.504 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.015 3.422 -29.851 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.070 5.380 -28.286 1.00 25.00 C ATOM 0 H LEU A 606 -8.734 1.368 -25.680 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.430 4.196 -26.424 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.149 3.205 -26.529 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.748 2.002 -27.653 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.437 4.000 -28.538 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.739 4.117 -30.644 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.555 2.452 -30.042 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.099 3.311 -29.827 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.804 6.007 -29.137 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.155 5.342 -28.189 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.639 5.800 -27.377 1.00 25.00 H new ATOM 196 N GLU A 607 -10.269 3.646 -27.971 1.00 25.00 N ATOM 197 CA GLU A 607 -11.363 3.363 -28.903 1.00 25.00 C ATOM 198 C GLU A 607 -11.222 4.185 -30.190 1.00 25.00 C ATOM 199 O GLU A 607 -11.891 3.925 -31.177 1.00 25.00 O ATOM 200 CB GLU A 607 -12.711 3.647 -28.230 1.00 25.00 C ATOM 201 CG GLU A 607 -12.813 3.139 -26.787 1.00 25.00 C ATOM 202 CD GLU A 607 -12.447 1.674 -26.613 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.548 1.396 -25.780 1.00 25.00 O ATOM 204 OE2 GLU A 607 -13.046 0.811 -27.281 1.00 25.00 O ATOM 0 H GLU A 607 -10.283 4.585 -27.573 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.316 2.309 -29.175 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.889 4.722 -28.238 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.503 3.188 -28.822 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.161 3.742 -26.155 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.832 3.292 -26.431 1.00 25.00 H new ATOM 211 N GLY A 608 -10.333 5.175 -30.164 1.00 25.00 N ATOM 212 CA GLY A 608 -10.059 5.987 -31.347 1.00 25.00 C ATOM 213 C GLY A 608 -11.271 6.741 -31.863 1.00 25.00 C ATOM 214 O GLY A 608 -11.604 6.672 -33.044 1.00 25.00 O ATOM 0 H GLY A 608 -9.791 5.434 -29.339 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.270 6.702 -31.112 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.679 5.342 -32.139 1.00 25.00 H new ATOM 218 N GLN A 609 -11.947 7.457 -30.980 1.00 25.00 N ATOM 219 CA GLN A 609 -13.178 8.141 -31.352 1.00 25.00 C ATOM 220 C GLN A 609 -12.805 9.405 -32.109 1.00 25.00 C ATOM 221 O GLN A 609 -12.174 10.290 -31.550 1.00 25.00 O ATOM 222 CB GLN A 609 -13.983 8.492 -30.102 1.00 25.00 C ATOM 223 CG GLN A 609 -14.324 7.294 -29.222 1.00 25.00 C ATOM 224 CD GLN A 609 -13.701 7.408 -27.846 1.00 25.00 C ATOM 225 OE1 GLN A 609 -12.491 7.290 -27.670 1.00 25.00 O ATOM 226 NE2 GLN A 609 -14.527 7.650 -26.863 1.00 25.00 N ATOM 0 H GLN A 609 -11.668 7.580 -30.007 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.793 7.496 -31.980 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.419 9.214 -29.511 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.909 8.981 -30.405 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -15.407 7.212 -29.125 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -13.977 6.380 -29.703 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -15.526 7.742 -27.047 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -14.173 7.747 -25.911 1.00 25.00 H new ATOM 235 N MET A 610 -13.184 9.478 -33.375 1.00 25.00 N ATOM 236 CA MET A 610 -12.821 10.606 -34.239 1.00 25.00 C ATOM 237 C MET A 610 -13.289 11.951 -33.682 1.00 25.00 C ATOM 238 O MET A 610 -14.364 12.049 -33.099 1.00 25.00 O ATOM 239 CB MET A 610 -13.420 10.401 -35.631 1.00 25.00 C ATOM 240 CG MET A 610 -13.039 9.069 -36.263 1.00 25.00 C ATOM 241 SD MET A 610 -13.620 8.956 -37.965 1.00 25.00 S ATOM 242 CE MET A 610 -13.328 7.213 -38.324 1.00 25.00 C ATOM 0 H MET A 610 -13.749 8.765 -33.837 1.00 25.00 H new ATOM 0 HA MET A 610 -11.732 10.633 -34.289 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.506 10.466 -35.564 1.00 25.00 H new ATOM 0 HB3 MET A 610 -13.092 11.211 -36.283 1.00 25.00 H new ATOM 0 HG2 MET A 610 -11.956 8.950 -36.238 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.463 8.253 -35.678 1.00 25.00 H new ATOM 0 HE1 MET A 610 -13.640 6.995 -39.345 1.00 25.00 H new ATOM 0 HE2 MET A 610 -12.266 6.992 -38.214 1.00 25.00 H new ATOM 0 HE3 MET A 610 -13.901 6.598 -37.630 1.00 25.00 H new ATOM 252 N GLY A 611 -12.472 12.981 -33.865 1.00 25.00 N ATOM 253 CA GLY A 611 -12.817 14.312 -33.390 1.00 25.00 C ATOM 254 C GLY A 611 -13.708 15.030 -34.376 1.00 25.00 C ATOM 255 O GLY A 611 -13.275 15.394 -35.467 1.00 25.00 O ATOM 0 H GLY A 611 -11.570 12.919 -34.337 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.322 14.238 -32.427 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.907 14.891 -33.229 1.00 25.00 H new ATOM 259 N GLU A 612 -14.957 15.223 -33.988 1.00 25.00 N ATOM 260 CA GLU A 612 -15.966 15.861 -34.828 1.00 25.00 C ATOM 261 C GLU A 612 -15.619 17.327 -35.052 1.00 25.00 C ATOM 262 O GLU A 612 -15.952 17.909 -36.077 1.00 25.00 O ATOM 263 CB GLU A 612 -17.345 15.763 -34.149 1.00 25.00 C ATOM 264 CG GLU A 612 -17.752 14.336 -33.716 1.00 25.00 C ATOM 265 CD GLU A 612 -17.358 13.999 -32.266 1.00 25.00 C ATOM 266 OE1 GLU A 612 -18.015 13.131 -31.650 1.00 25.00 O ATOM 267 OE2 GLU A 612 -16.385 14.590 -31.735 1.00 25.00 O ATOM 0 H GLU A 612 -15.306 14.940 -33.073 1.00 25.00 H new ATOM 0 HA GLU A 612 -15.992 15.350 -35.790 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -17.349 16.409 -33.271 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -18.100 16.150 -34.833 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -18.831 14.225 -33.826 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -17.287 13.614 -34.388 1.00 25.00 H new ATOM 274 N ASP A 613 -14.933 17.909 -34.078 1.00 25.00 N ATOM 275 CA ASP A 613 -14.492 19.304 -34.137 1.00 25.00 C ATOM 276 C ASP A 613 -13.496 19.546 -35.272 1.00 25.00 C ATOM 277 O ASP A 613 -13.329 20.672 -35.738 1.00 25.00 O ATOM 278 CB ASP A 613 -13.731 19.678 -32.858 1.00 25.00 C ATOM 279 CG ASP A 613 -14.521 19.451 -31.585 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.797 18.285 -31.238 1.00 25.00 O ATOM 281 OD2 ASP A 613 -14.819 20.453 -30.897 1.00 25.00 O ATOM 0 H ASP A 613 -14.663 17.429 -33.219 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.398 19.894 -34.278 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -12.810 19.096 -32.811 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -13.442 20.728 -32.913 1.00 25.00 H new ATOM 286 N GLY A 614 -12.805 18.487 -35.678 1.00 25.00 N ATOM 287 CA GLY A 614 -11.713 18.619 -36.629 1.00 25.00 C ATOM 288 C GLY A 614 -10.473 19.099 -35.888 1.00 25.00 C ATOM 289 O GLY A 614 -10.586 19.656 -34.791 1.00 25.00 O ATOM 0 H GLY A 614 -12.982 17.533 -35.364 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.517 17.663 -37.113 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -11.980 19.325 -37.415 1.00 25.00 H new ATOM 293 N ASN A 615 -9.288 18.876 -36.463 1.00 25.00 N ATOM 294 CA ASN A 615 -8.010 19.307 -35.857 1.00 25.00 C ATOM 295 C ASN A 615 -7.877 18.745 -34.421 1.00 25.00 C ATOM 296 O ASN A 615 -7.213 19.338 -33.552 1.00 25.00 O ATOM 297 CB ASN A 615 -7.951 20.854 -35.875 1.00 25.00 C ATOM 298 CG ASN A 615 -6.552 21.399 -36.048 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.239 22.008 -37.053 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.721 21.195 -35.079 1.00 25.00 N ATOM 0 H ASN A 615 -9.180 18.395 -37.356 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.170 18.916 -36.431 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.580 21.225 -36.684 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.370 21.237 -34.944 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.767 21.550 -35.142 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.020 20.680 -34.251 1.00 25.00 H new ATOM 307 N SER A 616 -8.547 17.623 -34.174 1.00 25.00 N ATOM 308 CA SER A 616 -8.648 17.043 -32.841 1.00 25.00 C ATOM 309 C SER A 616 -9.111 15.586 -32.861 1.00 25.00 C ATOM 310 O SER A 616 -9.525 15.084 -33.909 1.00 25.00 O ATOM 311 CB SER A 616 -9.691 17.839 -32.081 1.00 25.00 C ATOM 312 OG SER A 616 -10.927 17.772 -32.753 1.00 25.00 O ATOM 0 H SER A 616 -9.035 17.091 -34.894 1.00 25.00 H new ATOM 0 HA SER A 616 -7.659 17.075 -32.383 1.00 25.00 H new ATOM 0 HB2 SER A 616 -9.795 17.446 -31.069 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.373 18.877 -31.989 1.00 25.00 H new ATOM 0 HG SER A 616 -10.926 18.403 -33.503 1.00 25.00 H new ATOM 318 N ILE A 617 -9.053 14.924 -31.706 1.00 25.00 N ATOM 319 CA ILE A 617 -9.531 13.541 -31.547 1.00 25.00 C ATOM 320 C ILE A 617 -9.757 13.213 -30.063 1.00 25.00 C ATOM 321 O ILE A 617 -9.169 13.852 -29.190 1.00 25.00 O ATOM 322 CB ILE A 617 -8.531 12.530 -32.174 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.213 11.163 -32.352 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.236 12.414 -31.334 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.876 10.442 -33.636 1.00 25.00 C ATOM 0 H ILE A 617 -8.673 15.328 -30.850 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.482 13.453 -32.073 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.235 12.900 -33.156 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -8.938 10.525 -31.512 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.293 11.304 -32.305 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.561 11.698 -31.803 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.750 13.388 -31.278 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.484 12.074 -30.329 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.405 9.490 -33.668 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -9.178 11.053 -34.487 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.802 10.262 -33.681 1.00 25.00 H new ATOM 337 N LYS A 618 -10.601 12.226 -29.772 1.00 25.00 N ATOM 338 CA LYS A 618 -10.846 11.790 -28.395 1.00 25.00 C ATOM 339 C LYS A 618 -10.238 10.402 -28.246 1.00 25.00 C ATOM 340 O LYS A 618 -10.394 9.554 -29.121 1.00 25.00 O ATOM 341 CB LYS A 618 -12.350 11.722 -28.073 1.00 25.00 C ATOM 342 CG LYS A 618 -13.156 12.949 -28.494 1.00 25.00 C ATOM 343 CD LYS A 618 -13.822 12.741 -29.861 1.00 25.00 C ATOM 344 CE LYS A 618 -15.230 12.159 -29.757 1.00 25.00 C ATOM 345 NZ LYS A 618 -16.241 13.185 -29.347 1.00 25.00 N ATOM 0 H LYS A 618 -11.130 11.709 -30.474 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.399 12.507 -27.706 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -12.772 10.844 -28.562 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.470 11.578 -26.999 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -13.919 13.160 -27.744 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.501 13.819 -28.536 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.867 13.695 -30.386 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.203 12.075 -30.463 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.517 11.734 -30.719 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -15.231 11.343 -29.035 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -17.181 12.743 -29.290 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.984 13.573 -28.417 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -16.261 13.952 -30.049 1.00 25.00 H new ATOM 359 N VAL A 619 -9.559 10.165 -27.140 1.00 25.00 N ATOM 360 CA VAL A 619 -8.954 8.861 -26.862 1.00 25.00 C ATOM 361 C VAL A 619 -9.461 8.495 -25.471 1.00 25.00 C ATOM 362 O VAL A 619 -9.757 9.382 -24.676 1.00 25.00 O ATOM 363 CB VAL A 619 -7.374 8.893 -27.006 1.00 25.00 C ATOM 364 CG1 VAL A 619 -6.861 10.325 -27.273 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.661 8.292 -25.783 1.00 25.00 C ATOM 0 H VAL A 619 -9.408 10.860 -26.409 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.239 8.095 -27.583 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.133 8.270 -27.867 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -5.775 10.311 -27.366 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.300 10.702 -28.197 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.146 10.974 -26.445 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.582 8.338 -25.932 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -6.929 8.858 -24.891 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -6.966 7.253 -25.658 1.00 25.00 H new ATOM 375 N ASN A 620 -9.599 7.211 -25.182 1.00 25.00 N ATOM 376 CA ASN A 620 -10.163 6.775 -23.909 1.00 25.00 C ATOM 377 C ASN A 620 -9.185 6.884 -22.740 1.00 25.00 C ATOM 378 O ASN A 620 -7.985 6.679 -22.886 1.00 25.00 O ATOM 379 CB ASN A 620 -10.618 5.336 -24.021 1.00 25.00 C ATOM 380 CG ASN A 620 -12.101 5.195 -23.962 1.00 25.00 C ATOM 381 OD1 ASN A 620 -12.630 4.521 -23.097 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.784 5.816 -24.884 1.00 25.00 N ATOM 0 H ASN A 620 -9.330 6.452 -25.808 1.00 25.00 H new ATOM 0 HA ASN A 620 -10.998 7.443 -23.700 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.254 4.916 -24.959 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -10.170 4.754 -23.216 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.802 5.747 -24.898 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.300 6.371 -25.590 1.00 25.00 H new ATOM 389 N LEU A 621 -9.724 7.225 -21.579 1.00 25.00 N ATOM 390 CA LEU A 621 -8.948 7.377 -20.356 1.00 25.00 C ATOM 391 C LEU A 621 -9.503 6.520 -19.200 1.00 25.00 C ATOM 392 O LEU A 621 -10.683 6.217 -19.161 1.00 25.00 O ATOM 393 CB LEU A 621 -8.885 8.851 -19.979 1.00 25.00 C ATOM 394 CG LEU A 621 -7.653 9.200 -19.148 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.456 9.518 -20.042 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.987 10.389 -18.267 1.00 25.00 C ATOM 0 H LEU A 621 -10.721 7.406 -21.458 1.00 25.00 H new ATOM 0 HA LEU A 621 -7.938 7.012 -20.543 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -8.887 9.453 -20.887 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.782 9.116 -19.419 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.380 8.343 -18.532 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.594 9.763 -19.422 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.224 8.651 -20.661 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.695 10.367 -20.682 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -7.117 10.652 -17.666 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -8.267 11.237 -18.892 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.818 10.133 -17.610 1.00 25.00 H new ATOM 408 N ILE A 622 -8.645 6.130 -18.272 1.00 25.00 N ATOM 409 CA ILE A 622 -9.050 5.379 -17.079 1.00 25.00 C ATOM 410 C ILE A 622 -9.884 6.253 -16.111 1.00 25.00 C ATOM 411 O ILE A 622 -9.513 7.383 -15.791 1.00 25.00 O ATOM 412 CB ILE A 622 -7.772 4.874 -16.346 1.00 25.00 C ATOM 413 CG1 ILE A 622 -7.149 3.699 -17.102 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.037 4.466 -14.907 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.741 3.967 -17.513 1.00 25.00 C ATOM 0 H ILE A 622 -7.644 6.322 -18.318 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.672 4.541 -17.394 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.078 5.715 -16.325 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -7.177 2.810 -16.472 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.747 3.482 -17.987 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.109 4.123 -14.449 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.422 5.321 -14.351 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.771 3.660 -14.887 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.346 3.102 -18.046 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.712 4.839 -18.166 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.133 4.156 -16.628 1.00 25.00 H new ATOM 427 N LYS A 623 -11.008 5.716 -15.639 1.00 25.00 N ATOM 428 CA LYS A 623 -11.863 6.413 -14.662 1.00 25.00 C ATOM 429 C LYS A 623 -12.097 5.674 -13.340 1.00 25.00 C ATOM 430 O LYS A 623 -12.991 6.022 -12.581 1.00 25.00 O ATOM 431 CB LYS A 623 -13.190 6.871 -15.295 1.00 25.00 C ATOM 432 CG LYS A 623 -13.906 5.862 -16.176 1.00 25.00 C ATOM 433 CD LYS A 623 -14.472 4.680 -15.429 1.00 25.00 C ATOM 434 CE LYS A 623 -15.173 3.754 -16.407 1.00 25.00 C ATOM 435 NZ LYS A 623 -15.576 2.477 -15.743 1.00 25.00 N ATOM 0 H LYS A 623 -11.354 4.797 -15.915 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.283 7.292 -14.380 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -13.867 7.164 -14.493 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -12.994 7.764 -15.889 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.716 6.367 -16.702 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -13.211 5.500 -16.933 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -13.674 4.146 -14.913 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.173 5.019 -14.666 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -16.054 4.250 -16.814 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -14.512 3.538 -17.246 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -16.053 1.862 -16.433 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -14.731 1.995 -15.376 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -16.225 2.684 -14.957 1.00 25.00 H new ATOM 449 N GLN A 624 -11.313 4.639 -13.081 1.00 25.00 N ATOM 450 CA GLN A 624 -11.458 3.846 -11.858 1.00 25.00 C ATOM 451 C GLN A 624 -10.070 3.474 -11.363 1.00 25.00 C ATOM 452 O GLN A 624 -9.086 3.732 -12.044 1.00 25.00 O ATOM 453 CB GLN A 624 -12.300 2.578 -12.108 1.00 25.00 C ATOM 454 CG GLN A 624 -11.640 1.497 -12.990 1.00 25.00 C ATOM 455 CD GLN A 624 -11.750 1.786 -14.469 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.831 1.743 -15.049 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.646 2.091 -15.087 1.00 25.00 N ATOM 0 H GLN A 624 -10.566 4.323 -13.700 1.00 25.00 H new ATOM 0 HA GLN A 624 -11.981 4.435 -11.105 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.547 2.133 -11.144 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.240 2.875 -12.572 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.587 1.411 -12.721 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.103 0.533 -12.779 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.765 2.117 -14.574 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.662 2.304 -16.084 1.00 25.00 H new ATOM 466 N ASP A 625 -9.987 2.858 -10.196 1.00 25.00 N ATOM 467 CA ASP A 625 -8.717 2.370 -9.686 1.00 25.00 C ATOM 468 C ASP A 625 -8.410 1.051 -10.393 1.00 25.00 C ATOM 469 O ASP A 625 -9.177 0.102 -10.350 1.00 25.00 O ATOM 470 CB ASP A 625 -8.751 2.200 -8.155 1.00 25.00 C ATOM 471 CG ASP A 625 -9.922 1.350 -7.665 1.00 25.00 C ATOM 472 OD1 ASP A 625 -11.094 1.687 -7.972 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.666 0.365 -6.951 1.00 25.00 O ATOM 0 H ASP A 625 -10.784 2.684 -9.584 1.00 25.00 H new ATOM 0 HA ASP A 625 -7.928 3.094 -9.890 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.817 1.743 -7.827 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.806 3.184 -7.689 1.00 25.00 H new ATOM 478 N ASP A 626 -7.277 1.017 -11.075 1.00 25.00 N ATOM 479 CA ASP A 626 -6.873 -0.162 -11.849 1.00 25.00 C ATOM 480 C ASP A 626 -6.221 -1.226 -10.989 1.00 25.00 C ATOM 481 O ASP A 626 -6.012 -2.363 -11.419 1.00 25.00 O ATOM 482 CB ASP A 626 -5.833 0.239 -12.875 1.00 25.00 C ATOM 483 CG ASP A 626 -6.396 1.093 -13.992 1.00 25.00 C ATOM 484 OD1 ASP A 626 -5.561 1.707 -14.678 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.628 1.151 -14.203 1.00 25.00 O ATOM 0 H ASP A 626 -6.614 1.791 -11.113 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.783 -0.558 -12.301 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.032 0.785 -12.377 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.388 -0.660 -13.302 1.00 25.00 H new ATOM 490 N GLY A 627 -5.869 -0.849 -9.775 1.00 25.00 N ATOM 491 CA GLY A 627 -5.196 -1.766 -8.878 1.00 25.00 C ATOM 492 C GLY A 627 -5.595 -1.575 -7.438 1.00 25.00 C ATOM 493 O GLY A 627 -6.731 -1.775 -7.069 1.00 25.00 O ATOM 0 H GLY A 627 -6.037 0.080 -9.390 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.418 -2.790 -9.179 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -4.118 -1.633 -8.972 1.00 25.00 H new ATOM 497 N GLY A 628 -4.629 -1.193 -6.622 1.00 25.00 N ATOM 498 CA GLY A 628 -4.876 -0.999 -5.196 1.00 25.00 C ATOM 499 C GLY A 628 -4.928 0.465 -4.819 1.00 25.00 C ATOM 500 O GLY A 628 -4.977 0.820 -3.647 1.00 25.00 O ATOM 0 H GLY A 628 -3.669 -1.011 -6.916 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -5.817 -1.476 -4.924 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -4.091 -1.492 -4.623 1.00 25.00 H new ATOM 504 N SER A 629 -4.891 1.328 -5.822 1.00 25.00 N ATOM 505 CA SER A 629 -4.944 2.773 -5.617 1.00 25.00 C ATOM 506 C SER A 629 -5.420 3.410 -6.913 1.00 25.00 C ATOM 507 O SER A 629 -5.137 2.880 -8.000 1.00 25.00 O ATOM 508 CB SER A 629 -3.556 3.334 -5.290 1.00 25.00 C ATOM 509 OG SER A 629 -3.063 2.813 -4.067 1.00 25.00 O ATOM 0 H SER A 629 -4.823 1.050 -6.801 1.00 25.00 H new ATOM 0 HA SER A 629 -5.615 2.991 -4.786 1.00 25.00 H new ATOM 0 HB2 SER A 629 -2.864 3.090 -6.096 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.606 4.421 -5.230 1.00 25.00 H new ATOM 0 HG SER A 629 -3.714 2.182 -3.694 1.00 25.00 H new ATOM 515 N PRO A 630 -6.125 4.552 -6.831 1.00 25.00 N ATOM 516 CA PRO A 630 -6.496 5.223 -8.077 1.00 25.00 C ATOM 517 C PRO A 630 -5.287 5.871 -8.740 1.00 25.00 C ATOM 518 O PRO A 630 -4.208 5.979 -8.143 1.00 25.00 O ATOM 519 CB PRO A 630 -7.511 6.268 -7.611 1.00 25.00 C ATOM 520 CG PRO A 630 -7.069 6.607 -6.248 1.00 25.00 C ATOM 521 CD PRO A 630 -6.606 5.304 -5.655 1.00 25.00 C ATOM 0 HA PRO A 630 -6.896 4.544 -8.830 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.510 7.143 -8.261 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.525 5.869 -7.615 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.264 7.341 -6.265 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.882 7.039 -5.665 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.814 5.454 -4.921 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.417 4.782 -5.147 1.00 25.00 H new ATOM 529 N ILE A 631 -5.469 6.290 -9.978 1.00 25.00 N ATOM 530 CA ILE A 631 -4.408 6.916 -10.759 1.00 25.00 C ATOM 531 C ILE A 631 -4.121 8.280 -10.116 1.00 25.00 C ATOM 532 O ILE A 631 -5.012 8.907 -9.531 1.00 25.00 O ATOM 533 CB ILE A 631 -4.842 7.021 -12.273 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.532 5.707 -13.027 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.137 8.176 -12.991 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.209 4.456 -12.490 1.00 25.00 C ATOM 0 H ILE A 631 -6.356 6.208 -10.475 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.492 6.325 -10.754 1.00 25.00 H new ATOM 0 HB ILE A 631 -5.916 7.207 -12.276 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -4.821 5.833 -14.070 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.454 5.548 -13.012 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -4.464 8.212 -14.030 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -4.386 9.116 -12.499 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.058 8.022 -12.955 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -4.919 3.597 -13.095 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.903 4.292 -11.457 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.291 4.581 -12.532 1.00 25.00 H new ATOM 548 N ARG A 632 -2.878 8.733 -10.202 1.00 25.00 N ATOM 549 CA ARG A 632 -2.479 10.022 -9.641 1.00 25.00 C ATOM 550 C ARG A 632 -2.328 11.017 -10.793 1.00 25.00 C ATOM 551 O ARG A 632 -2.841 12.127 -10.705 1.00 25.00 O ATOM 552 CB ARG A 632 -1.177 9.876 -8.827 1.00 25.00 C ATOM 553 CG ARG A 632 -1.371 9.645 -7.302 1.00 25.00 C ATOM 554 CD ARG A 632 -2.219 8.410 -6.949 1.00 25.00 C ATOM 555 NE ARG A 632 -2.908 8.603 -5.666 1.00 25.00 N ATOM 556 CZ ARG A 632 -4.113 9.135 -5.512 1.00 25.00 C ATOM 557 NH1 ARG A 632 -4.848 9.541 -6.520 1.00 25.00 N ATOM 558 NH2 ARG A 632 -4.586 9.263 -4.304 1.00 25.00 N ATOM 0 H ARG A 632 -2.121 8.224 -10.658 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.238 10.392 -8.951 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -0.605 9.043 -9.234 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -0.576 10.775 -8.968 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -0.391 9.544 -6.835 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.841 10.529 -6.870 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -2.950 8.228 -7.736 1.00 25.00 H new ATOM 0 HD3 ARG A 632 -1.581 7.528 -6.896 1.00 25.00 H new ATOM 0 HE ARG A 632 -2.419 8.303 -4.823 1.00 25.00 H new ATOM 0 HH11 ARG A 632 -4.498 9.454 -7.474 1.00 25.00 H new ATOM 0 HH12 ARG A 632 -5.769 9.944 -6.350 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -4.032 8.957 -3.504 1.00 25.00 H new ATOM 0 HH22 ARG A 632 -5.510 9.669 -4.159 1.00 25.00 H new ATOM 572 N HIS A 633 -1.658 10.618 -11.870 1.00 25.00 N ATOM 573 CA HIS A 633 -1.479 11.489 -13.043 1.00 25.00 C ATOM 574 C HIS A 633 -1.573 10.714 -14.365 1.00 25.00 C ATOM 575 O HIS A 633 -1.453 9.495 -14.384 1.00 25.00 O ATOM 576 CB HIS A 633 -0.095 12.157 -12.989 1.00 25.00 C ATOM 577 CG HIS A 633 0.212 12.816 -11.679 1.00 25.00 C ATOM 578 ND1 HIS A 633 1.143 12.359 -10.783 1.00 25.00 N ATOM 579 CD2 HIS A 633 -0.304 13.940 -11.107 1.00 25.00 C ATOM 580 CE1 HIS A 633 1.161 13.179 -9.741 1.00 25.00 C ATOM 581 NE2 HIS A 633 0.296 14.164 -9.883 1.00 25.00 N ATOM 0 H HIS A 633 -1.227 9.698 -11.962 1.00 25.00 H new ATOM 0 HA HIS A 633 -2.280 12.228 -13.011 1.00 25.00 H new ATOM 0 HB2 HIS A 633 0.668 11.406 -13.194 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -0.031 12.901 -13.783 1.00 25.00 H new ATOM 0 HD1 HIS A 633 1.724 11.529 -10.898 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -1.069 14.564 -11.546 1.00 25.00 H new ATOM 0 HE1 HIS A 633 1.804 13.055 -8.882 1.00 25.00 H new ATOM 589 N TYR A 634 -1.756 11.425 -15.473 1.00 25.00 N ATOM 590 CA TYR A 634 -1.701 10.819 -16.807 1.00 25.00 C ATOM 591 C TYR A 634 -0.669 11.566 -17.606 1.00 25.00 C ATOM 592 O TYR A 634 -0.463 12.758 -17.401 1.00 25.00 O ATOM 593 CB TYR A 634 -3.031 10.913 -17.543 1.00 25.00 C ATOM 594 CG TYR A 634 -4.085 10.052 -16.930 1.00 25.00 C ATOM 595 CD1 TYR A 634 -5.026 10.601 -16.056 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.145 8.673 -17.212 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.005 9.799 -15.457 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.129 7.863 -16.607 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.046 8.442 -15.728 1.00 25.00 C ATOM 600 OH TYR A 634 -6.975 7.674 -15.114 1.00 25.00 O ATOM 0 H TYR A 634 -1.945 12.427 -15.477 1.00 25.00 H new ATOM 0 HA TYR A 634 -1.457 9.763 -16.693 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -3.369 11.949 -17.545 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -2.888 10.622 -18.584 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -4.998 11.659 -15.839 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.434 8.233 -17.895 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -6.727 10.238 -14.785 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.172 6.805 -16.822 1.00 25.00 H new ATOM 0 HH TYR A 634 -7.865 7.902 -15.455 1.00 25.00 H new ATOM 610 N LEU A 635 -0.026 10.862 -18.520 1.00 25.00 N ATOM 611 CA LEU A 635 0.984 11.462 -19.374 1.00 25.00 C ATOM 612 C LEU A 635 0.628 11.090 -20.805 1.00 25.00 C ATOM 613 O LEU A 635 0.813 9.945 -21.225 1.00 25.00 O ATOM 614 CB LEU A 635 2.389 10.959 -19.000 1.00 25.00 C ATOM 615 CG LEU A 635 2.814 11.094 -17.519 1.00 25.00 C ATOM 616 CD1 LEU A 635 2.511 9.824 -16.710 1.00 25.00 C ATOM 617 CD2 LEU A 635 4.311 11.378 -17.427 1.00 25.00 C ATOM 0 H LEU A 635 -0.186 9.869 -18.691 1.00 25.00 H new ATOM 0 HA LEU A 635 1.002 12.545 -19.253 1.00 25.00 H new ATOM 0 HB2 LEU A 635 2.457 9.907 -19.277 1.00 25.00 H new ATOM 0 HB3 LEU A 635 3.115 11.497 -19.611 1.00 25.00 H new ATOM 0 HG LEU A 635 2.238 11.919 -17.099 1.00 25.00 H new ATOM 0 HD11 LEU A 635 2.827 9.967 -15.677 1.00 25.00 H new ATOM 0 HD12 LEU A 635 1.440 9.622 -16.737 1.00 25.00 H new ATOM 0 HD13 LEU A 635 3.051 8.981 -17.141 1.00 25.00 H new ATOM 0 HD21 LEU A 635 4.600 11.471 -16.380 1.00 25.00 H new ATOM 0 HD22 LEU A 635 4.866 10.559 -17.885 1.00 25.00 H new ATOM 0 HD23 LEU A 635 4.538 12.307 -17.950 1.00 25.00 H new ATOM 629 N VAL A 636 0.101 12.053 -21.543 1.00 25.00 N ATOM 630 CA VAL A 636 -0.277 11.841 -22.937 1.00 25.00 C ATOM 631 C VAL A 636 0.726 12.604 -23.779 1.00 25.00 C ATOM 632 O VAL A 636 0.916 13.799 -23.564 1.00 25.00 O ATOM 633 CB VAL A 636 -1.697 12.386 -23.258 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.112 11.976 -24.680 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.734 11.884 -22.233 1.00 25.00 C ATOM 0 H VAL A 636 -0.077 12.997 -21.200 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.285 10.771 -23.144 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.664 13.474 -23.196 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.108 12.363 -24.894 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.402 12.385 -25.398 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.121 10.889 -24.757 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.717 12.282 -22.485 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.768 10.795 -22.253 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.451 12.220 -21.235 1.00 25.00 H new ATOM 645 N ARG A 637 1.369 11.926 -24.719 1.00 25.00 N ATOM 646 CA ARG A 637 2.371 12.547 -25.570 1.00 25.00 C ATOM 647 C ARG A 637 1.928 12.282 -26.986 1.00 25.00 C ATOM 648 O ARG A 637 1.649 11.143 -27.329 1.00 25.00 O ATOM 649 CB ARG A 637 3.742 11.919 -25.296 1.00 25.00 C ATOM 650 CG ARG A 637 4.902 12.900 -25.428 1.00 25.00 C ATOM 651 CD ARG A 637 6.248 12.270 -25.093 1.00 25.00 C ATOM 652 NE ARG A 637 6.250 11.690 -23.739 1.00 25.00 N ATOM 653 CZ ARG A 637 6.342 12.376 -22.603 1.00 25.00 C ATOM 654 NH1 ARG A 637 6.492 13.672 -22.561 1.00 25.00 N ATOM 655 NH2 ARG A 637 6.269 11.736 -21.476 1.00 25.00 N ATOM 0 H ARG A 637 1.212 10.937 -24.912 1.00 25.00 H new ATOM 0 HA ARG A 637 2.465 13.617 -25.385 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.745 11.499 -24.290 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.897 11.091 -25.987 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.930 13.287 -26.447 1.00 25.00 H new ATOM 0 HG3 ARG A 637 4.730 13.750 -24.768 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.480 11.494 -25.823 1.00 25.00 H new ATOM 0 HD3 ARG A 637 7.032 13.023 -25.169 1.00 25.00 H new ATOM 0 HE ARG A 637 6.174 10.675 -23.666 1.00 25.00 H new ATOM 0 HH11 ARG A 637 6.544 14.208 -23.427 1.00 25.00 H new ATOM 0 HH12 ARG A 637 6.557 14.149 -21.662 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.143 10.724 -21.472 1.00 25.00 H new ATOM 0 HH22 ARG A 637 6.338 12.245 -20.595 1.00 25.00 H new ATOM 669 N TYR A 638 1.841 13.308 -27.809 1.00 25.00 N ATOM 670 CA TYR A 638 1.420 13.114 -29.194 1.00 25.00 C ATOM 671 C TYR A 638 2.201 14.026 -30.106 1.00 25.00 C ATOM 672 O TYR A 638 2.579 15.121 -29.713 1.00 25.00 O ATOM 673 CB TYR A 638 -0.097 13.300 -29.359 1.00 25.00 C ATOM 674 CG TYR A 638 -0.675 14.621 -28.889 1.00 25.00 C ATOM 675 CD1 TYR A 638 -1.132 15.582 -29.818 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.796 14.911 -27.514 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.713 16.805 -29.375 1.00 25.00 C ATOM 678 CE2 TYR A 638 -1.362 16.127 -27.075 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.824 17.058 -28.006 1.00 25.00 C ATOM 680 OH TYR A 638 -2.376 18.230 -27.556 1.00 25.00 O ATOM 0 H TYR A 638 2.051 14.273 -27.554 1.00 25.00 H new ATOM 0 HA TYR A 638 1.637 12.084 -29.477 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.342 13.177 -30.414 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.599 12.497 -28.819 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -1.040 15.387 -30.876 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.450 14.192 -26.786 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -2.065 17.531 -30.093 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -1.438 16.337 -26.018 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.939 18.617 -28.258 1.00 25.00 H new ATOM 690 N ARG A 639 2.460 13.549 -31.312 1.00 25.00 N ATOM 691 CA ARG A 639 3.289 14.256 -32.287 1.00 25.00 C ATOM 692 C ARG A 639 2.631 14.083 -33.637 1.00 25.00 C ATOM 693 O ARG A 639 2.075 13.031 -33.911 1.00 25.00 O ATOM 694 CB ARG A 639 4.696 13.643 -32.266 1.00 25.00 C ATOM 695 CG ARG A 639 5.584 13.949 -33.453 1.00 25.00 C ATOM 696 CD ARG A 639 5.631 12.765 -34.395 1.00 25.00 C ATOM 697 NE ARG A 639 5.941 13.184 -35.767 1.00 25.00 N ATOM 698 CZ ARG A 639 6.116 12.363 -36.795 1.00 25.00 C ATOM 699 NH1 ARG A 639 6.020 11.061 -36.683 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.389 12.871 -37.963 1.00 25.00 N ATOM 0 H ARG A 639 2.101 12.656 -31.649 1.00 25.00 H new ATOM 0 HA ARG A 639 3.380 15.318 -32.061 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.203 13.984 -31.364 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.595 12.561 -32.185 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.209 14.826 -33.980 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.590 14.189 -33.110 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.383 12.054 -34.051 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.672 12.247 -34.379 1.00 25.00 H new ATOM 0 HE ARG A 639 6.029 14.185 -35.944 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.803 10.642 -35.779 1.00 25.00 H new ATOM 0 HH12 ARG A 639 6.162 10.467 -37.500 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.465 13.882 -38.074 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.527 12.258 -38.766 1.00 25.00 H new ATOM 714 N ALA A 640 2.686 15.112 -34.464 1.00 25.00 N ATOM 715 CA ALA A 640 2.069 15.076 -35.782 1.00 25.00 C ATOM 716 C ALA A 640 3.148 15.204 -36.847 1.00 25.00 C ATOM 717 O ALA A 640 4.292 15.496 -36.524 1.00 25.00 O ATOM 718 CB ALA A 640 1.041 16.194 -35.899 1.00 25.00 C ATOM 0 H ALA A 640 3.155 15.991 -34.245 1.00 25.00 H new ATOM 0 HA ALA A 640 1.553 14.127 -35.927 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.581 16.164 -36.887 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.273 16.063 -35.137 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.532 17.156 -35.757 1.00 25.00 H new ATOM 724 N LEU A 641 2.795 15.000 -38.105 1.00 25.00 N ATOM 725 CA LEU A 641 3.764 15.118 -39.192 1.00 25.00 C ATOM 726 C LEU A 641 4.387 16.518 -39.195 1.00 25.00 C ATOM 727 O LEU A 641 5.588 16.669 -39.401 1.00 25.00 O ATOM 728 CB LEU A 641 3.078 14.838 -40.536 1.00 25.00 C ATOM 729 CG LEU A 641 3.993 14.799 -41.773 1.00 25.00 C ATOM 730 CD1 LEU A 641 5.029 13.670 -41.679 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.147 14.612 -43.029 1.00 25.00 C ATOM 0 H LEU A 641 1.851 14.753 -38.402 1.00 25.00 H new ATOM 0 HA LEU A 641 4.557 14.385 -39.041 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.560 13.882 -40.463 1.00 25.00 H new ATOM 0 HB3 LEU A 641 2.317 15.601 -40.697 1.00 25.00 H new ATOM 0 HG LEU A 641 4.532 15.745 -41.820 1.00 25.00 H new ATOM 0 HD11 LEU A 641 5.656 13.676 -42.571 1.00 25.00 H new ATOM 0 HD12 LEU A 641 5.652 13.820 -40.797 1.00 25.00 H new ATOM 0 HD13 LEU A 641 4.516 12.711 -41.602 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.796 14.585 -43.904 1.00 25.00 H new ATOM 0 HD22 LEU A 641 2.593 13.676 -42.959 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.447 15.442 -43.123 1.00 25.00 H new ATOM 743 N SER A 642 3.558 17.522 -38.950 1.00 25.00 N ATOM 744 CA SER A 642 3.988 18.921 -38.913 1.00 25.00 C ATOM 745 C SER A 642 4.244 19.467 -37.495 1.00 25.00 C ATOM 746 O SER A 642 4.465 20.666 -37.332 1.00 25.00 O ATOM 747 CB SER A 642 2.928 19.787 -39.603 1.00 25.00 C ATOM 748 OG SER A 642 3.422 21.092 -39.858 1.00 25.00 O ATOM 0 H SER A 642 2.562 17.393 -38.770 1.00 25.00 H new ATOM 0 HA SER A 642 4.945 18.963 -39.433 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.626 19.320 -40.540 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.039 19.848 -38.976 1.00 25.00 H new ATOM 0 HG SER A 642 3.959 21.393 -39.095 1.00 25.00 H new ATOM 754 N SER A 643 4.187 18.621 -36.471 1.00 25.00 N ATOM 755 CA SER A 643 4.334 19.090 -35.079 1.00 25.00 C ATOM 756 C SER A 643 5.295 18.261 -34.231 1.00 25.00 C ATOM 757 O SER A 643 5.629 17.135 -34.559 1.00 25.00 O ATOM 758 CB SER A 643 2.975 19.089 -34.378 1.00 25.00 C ATOM 759 OG SER A 643 2.055 19.951 -35.025 1.00 25.00 O ATOM 0 H SER A 643 4.042 17.616 -36.567 1.00 25.00 H new ATOM 0 HA SER A 643 4.752 20.093 -35.162 1.00 25.00 H new ATOM 0 HB2 SER A 643 2.575 18.075 -34.360 1.00 25.00 H new ATOM 0 HB3 SER A 643 3.099 19.401 -33.341 1.00 25.00 H new ATOM 0 HG SER A 643 1.196 19.926 -34.554 1.00 25.00 H new ATOM 765 N GLU A 644 5.717 18.842 -33.122 1.00 25.00 N ATOM 766 CA GLU A 644 6.605 18.192 -32.167 1.00 25.00 C ATOM 767 C GLU A 644 5.802 17.329 -31.189 1.00 25.00 C ATOM 768 O GLU A 644 4.569 17.391 -31.159 1.00 25.00 O ATOM 769 CB GLU A 644 7.397 19.263 -31.380 1.00 25.00 C ATOM 770 CG GLU A 644 6.628 20.001 -30.235 1.00 25.00 C ATOM 771 CD GLU A 644 5.726 21.147 -30.708 1.00 25.00 C ATOM 772 OE1 GLU A 644 4.870 20.938 -31.596 1.00 25.00 O ATOM 773 OE2 GLU A 644 5.862 22.259 -30.169 1.00 25.00 O ATOM 0 H GLU A 644 5.451 19.789 -32.854 1.00 25.00 H new ATOM 0 HA GLU A 644 7.297 17.552 -32.714 1.00 25.00 H new ATOM 0 HB2 GLU A 644 8.277 18.787 -30.948 1.00 25.00 H new ATOM 0 HB3 GLU A 644 7.755 20.011 -32.088 1.00 25.00 H new ATOM 0 HG2 GLU A 644 6.019 19.275 -29.697 1.00 25.00 H new ATOM 0 HG3 GLU A 644 7.353 20.397 -29.524 1.00 25.00 H new ATOM 780 N TRP A 645 6.502 16.550 -30.373 1.00 25.00 N ATOM 781 CA TRP A 645 5.860 15.783 -29.309 1.00 25.00 C ATOM 782 C TRP A 645 5.363 16.738 -28.229 1.00 25.00 C ATOM 783 O TRP A 645 6.161 17.314 -27.489 1.00 25.00 O ATOM 784 CB TRP A 645 6.847 14.802 -28.667 1.00 25.00 C ATOM 785 CG TRP A 645 7.120 13.576 -29.489 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.188 13.339 -30.293 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.305 12.388 -29.581 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.115 12.109 -30.880 1.00 25.00 N ATOM 789 CE2 TRP A 645 6.971 11.488 -30.464 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.071 11.999 -29.021 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.446 10.223 -30.787 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.541 10.724 -29.339 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.242 9.849 -30.219 1.00 25.00 C ATOM 0 H TRP A 645 7.514 16.432 -30.427 1.00 25.00 H new ATOM 0 HA TRP A 645 5.032 15.224 -29.745 1.00 25.00 H new ATOM 0 HB2 TRP A 645 7.789 15.320 -28.484 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.457 14.495 -27.696 1.00 25.00 H new ATOM 0 HD1 TRP A 645 8.996 14.038 -30.449 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.802 11.717 -31.524 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.537 12.664 -28.358 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 6.970 9.561 -31.461 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.599 10.413 -28.912 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.826 8.878 -30.446 1.00 25.00 H new ATOM 804 N LYS A 646 4.052 16.899 -28.124 1.00 25.00 N ATOM 805 CA LYS A 646 3.475 17.729 -27.066 1.00 25.00 C ATOM 806 C LYS A 646 3.799 16.969 -25.784 1.00 25.00 C ATOM 807 O LYS A 646 3.687 15.749 -25.768 1.00 25.00 O ATOM 808 CB LYS A 646 1.962 17.891 -27.232 1.00 25.00 C ATOM 809 CG LYS A 646 1.497 18.303 -28.653 1.00 25.00 C ATOM 810 CD LYS A 646 2.142 19.576 -29.210 1.00 25.00 C ATOM 811 CE LYS A 646 1.577 19.852 -30.611 1.00 25.00 C ATOM 812 NZ LYS A 646 2.130 21.106 -31.225 1.00 25.00 N ATOM 0 H LYS A 646 3.369 16.472 -28.750 1.00 25.00 H new ATOM 0 HA LYS A 646 3.878 18.742 -27.076 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.480 16.950 -26.967 1.00 25.00 H new ATOM 0 HB3 LYS A 646 1.612 18.639 -26.521 1.00 25.00 H new ATOM 0 HG2 LYS A 646 1.705 17.481 -29.338 1.00 25.00 H new ATOM 0 HG3 LYS A 646 0.416 18.440 -28.638 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.940 20.420 -28.550 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.225 19.460 -29.257 1.00 25.00 H new ATOM 0 HE2 LYS A 646 1.800 19.006 -31.261 1.00 25.00 H new ATOM 0 HE3 LYS A 646 0.491 19.930 -30.551 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 1.564 21.363 -32.059 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 2.093 21.879 -30.530 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 3.117 20.946 -31.512 1.00 25.00 H new ATOM 826 N PRO A 647 4.228 17.662 -24.716 1.00 25.00 N ATOM 827 CA PRO A 647 4.737 16.926 -23.547 1.00 25.00 C ATOM 828 C PRO A 647 3.748 16.100 -22.701 1.00 25.00 C ATOM 829 O PRO A 647 3.819 14.876 -22.697 1.00 25.00 O ATOM 830 CB PRO A 647 5.396 18.037 -22.717 1.00 25.00 C ATOM 831 CG PRO A 647 4.642 19.269 -23.070 1.00 25.00 C ATOM 832 CD PRO A 647 4.345 19.123 -24.534 1.00 25.00 C ATOM 0 HA PRO A 647 5.389 16.123 -23.892 1.00 25.00 H new ATOM 0 HB2 PRO A 647 5.331 17.825 -21.650 1.00 25.00 H new ATOM 0 HB3 PRO A 647 6.454 18.137 -22.959 1.00 25.00 H new ATOM 0 HG2 PRO A 647 3.726 19.354 -22.486 1.00 25.00 H new ATOM 0 HG3 PRO A 647 5.231 20.165 -22.872 1.00 25.00 H new ATOM 0 HD2 PRO A 647 3.425 19.637 -24.810 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.141 19.542 -25.149 1.00 25.00 H new ATOM 840 N GLU A 648 2.853 16.747 -21.972 1.00 25.00 N ATOM 841 CA GLU A 648 1.968 16.044 -21.040 1.00 25.00 C ATOM 842 C GLU A 648 0.658 16.803 -20.932 1.00 25.00 C ATOM 843 O GLU A 648 0.630 18.020 -21.126 1.00 25.00 O ATOM 844 CB GLU A 648 2.603 15.966 -19.639 1.00 25.00 C ATOM 845 CG GLU A 648 3.425 14.691 -19.363 1.00 25.00 C ATOM 846 CD GLU A 648 4.912 14.787 -19.740 1.00 25.00 C ATOM 847 OE1 GLU A 648 5.600 13.739 -19.659 1.00 25.00 O ATOM 848 OE2 GLU A 648 5.404 15.872 -20.100 1.00 25.00 O ATOM 0 H GLU A 648 2.716 17.757 -22.003 1.00 25.00 H new ATOM 0 HA GLU A 648 1.801 15.034 -21.415 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.249 16.833 -19.501 1.00 25.00 H new ATOM 0 HB3 GLU A 648 1.811 16.037 -18.894 1.00 25.00 H new ATOM 0 HG2 GLU A 648 3.349 14.449 -18.303 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.978 13.862 -19.912 1.00 25.00 H new ATOM 855 N ILE A 649 -0.424 16.093 -20.620 1.00 25.00 N ATOM 856 CA ILE A 649 -1.757 16.700 -20.549 1.00 25.00 C ATOM 857 C ILE A 649 -2.408 16.317 -19.196 1.00 25.00 C ATOM 858 O ILE A 649 -2.399 15.162 -18.787 1.00 25.00 O ATOM 859 CB ILE A 649 -2.655 16.272 -21.779 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.862 16.311 -23.121 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.900 17.199 -21.903 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.480 17.729 -23.654 1.00 25.00 C ATOM 0 H ILE A 649 -0.407 15.095 -20.411 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.665 17.785 -20.604 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.973 15.247 -21.592 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.946 15.734 -22.995 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.454 15.806 -23.884 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.503 16.886 -22.755 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -4.496 17.132 -20.993 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.574 18.229 -22.048 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -0.932 17.630 -24.591 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.386 18.310 -23.823 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.855 18.237 -22.920 1.00 25.00 H new ATOM 874 N ARG A 650 -2.939 17.326 -18.516 1.00 25.00 N ATOM 875 CA ARG A 650 -3.499 17.244 -17.139 1.00 25.00 C ATOM 876 C ARG A 650 -4.890 16.586 -16.908 1.00 25.00 C ATOM 877 O ARG A 650 -5.923 17.210 -17.122 1.00 25.00 O ATOM 878 CB ARG A 650 -3.676 18.715 -16.746 1.00 25.00 C ATOM 879 CG ARG A 650 -4.583 19.498 -17.784 1.00 25.00 C ATOM 880 CD ARG A 650 -3.959 20.822 -18.202 1.00 25.00 C ATOM 881 NE ARG A 650 -3.852 21.722 -17.037 1.00 25.00 N ATOM 882 CZ ARG A 650 -3.304 22.933 -17.041 1.00 25.00 C ATOM 883 NH1 ARG A 650 -2.788 23.466 -18.121 1.00 25.00 N ATOM 884 NH2 ARG A 650 -3.269 23.616 -15.930 1.00 25.00 N ATOM 0 H ARG A 650 -3.002 18.266 -18.908 1.00 25.00 H new ATOM 0 HA ARG A 650 -2.816 16.606 -16.578 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -4.125 18.775 -15.754 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -2.699 19.194 -16.683 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -4.742 18.878 -18.666 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -5.563 19.682 -17.343 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.971 20.649 -18.629 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -4.565 21.290 -18.978 1.00 25.00 H new ATOM 0 HE ARG A 650 -4.232 21.385 -16.152 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -2.798 22.948 -19.000 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -2.377 24.399 -18.083 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -3.659 23.219 -15.075 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -2.852 24.547 -15.916 1.00 25.00 H new ATOM 898 N LEU A 651 -4.967 15.360 -16.433 1.00 25.00 N ATOM 899 CA LEU A 651 -6.294 14.739 -16.322 1.00 25.00 C ATOM 900 C LEU A 651 -6.519 13.956 -15.020 1.00 25.00 C ATOM 901 O LEU A 651 -5.582 13.389 -14.466 1.00 25.00 O ATOM 902 CB LEU A 651 -6.526 13.852 -17.560 1.00 25.00 C ATOM 903 CG LEU A 651 -6.921 14.522 -18.917 1.00 25.00 C ATOM 904 CD1 LEU A 651 -8.167 15.405 -18.783 1.00 25.00 C ATOM 905 CD2 LEU A 651 -5.802 15.362 -19.628 1.00 25.00 C ATOM 0 H LEU A 651 -4.179 14.789 -16.129 1.00 25.00 H new ATOM 0 HA LEU A 651 -7.029 15.543 -16.284 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.613 13.281 -17.730 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -7.308 13.136 -17.308 1.00 25.00 H new ATOM 0 HG LEU A 651 -7.114 13.658 -19.552 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.404 15.849 -19.750 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -9.008 14.799 -18.447 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -7.976 16.196 -18.057 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -6.193 15.776 -20.557 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.485 16.174 -18.974 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -4.949 14.720 -19.848 1.00 25.00 H new ATOM 917 N PRO A 652 -7.773 13.940 -14.505 1.00 25.00 N ATOM 918 CA PRO A 652 -8.065 13.216 -13.262 1.00 25.00 C ATOM 919 C PRO A 652 -8.369 11.730 -13.464 1.00 25.00 C ATOM 920 O PRO A 652 -8.734 11.303 -14.557 1.00 25.00 O ATOM 921 CB PRO A 652 -9.325 13.922 -12.766 1.00 25.00 C ATOM 922 CG PRO A 652 -10.066 14.217 -14.026 1.00 25.00 C ATOM 923 CD PRO A 652 -8.990 14.605 -15.025 1.00 25.00 C ATOM 0 HA PRO A 652 -7.211 13.232 -12.585 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -9.905 13.287 -12.096 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -9.087 14.832 -12.216 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -10.628 13.348 -14.367 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -10.784 15.025 -13.883 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -9.235 14.263 -16.031 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -8.864 15.686 -15.078 1.00 25.00 H new ATOM 931 N SER A 653 -8.253 10.951 -12.393 1.00 25.00 N ATOM 932 CA SER A 653 -8.550 9.504 -12.405 1.00 25.00 C ATOM 933 C SER A 653 -10.058 9.201 -12.469 1.00 25.00 C ATOM 934 O SER A 653 -10.498 8.130 -12.068 1.00 25.00 O ATOM 935 CB SER A 653 -7.972 8.868 -11.133 1.00 25.00 C ATOM 936 OG SER A 653 -8.076 7.451 -11.148 1.00 25.00 O ATOM 0 H SER A 653 -7.950 11.298 -11.483 1.00 25.00 H new ATOM 0 HA SER A 653 -8.096 9.087 -13.304 1.00 25.00 H new ATOM 0 HB2 SER A 653 -6.925 9.153 -11.030 1.00 25.00 H new ATOM 0 HB3 SER A 653 -8.497 9.260 -10.262 1.00 25.00 H new ATOM 0 HG SER A 653 -8.963 7.192 -11.475 1.00 25.00 H new ATOM 942 N GLY A 654 -10.841 10.152 -12.960 1.00 25.00 N ATOM 943 CA GLY A 654 -12.285 10.003 -13.032 1.00 25.00 C ATOM 944 C GLY A 654 -12.831 10.514 -14.349 1.00 25.00 C ATOM 945 O GLY A 654 -13.932 11.045 -14.401 1.00 25.00 O ATOM 0 H GLY A 654 -10.494 11.042 -13.317 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -12.550 8.953 -12.910 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.749 10.546 -12.209 1.00 25.00 H new ATOM 949 N SER A 655 -12.056 10.364 -15.412 1.00 25.00 N ATOM 950 CA SER A 655 -12.477 10.797 -16.744 1.00 25.00 C ATOM 951 C SER A 655 -12.373 9.586 -17.651 1.00 25.00 C ATOM 952 O SER A 655 -11.360 8.916 -17.643 1.00 25.00 O ATOM 953 CB SER A 655 -11.577 11.919 -17.256 1.00 25.00 C ATOM 954 OG SER A 655 -12.098 12.456 -18.462 1.00 25.00 O ATOM 0 H SER A 655 -11.127 9.944 -15.382 1.00 25.00 H new ATOM 0 HA SER A 655 -13.496 11.184 -16.720 1.00 25.00 H new ATOM 0 HB2 SER A 655 -11.499 12.704 -16.504 1.00 25.00 H new ATOM 0 HB3 SER A 655 -10.570 11.538 -17.425 1.00 25.00 H new ATOM 0 HG SER A 655 -11.552 12.153 -19.218 1.00 25.00 H new ATOM 960 N ASP A 656 -13.413 9.290 -18.418 1.00 25.00 N ATOM 961 CA ASP A 656 -13.404 8.100 -19.282 1.00 25.00 C ATOM 962 C ASP A 656 -12.754 8.386 -20.636 1.00 25.00 C ATOM 963 O ASP A 656 -12.577 7.493 -21.463 1.00 25.00 O ATOM 964 CB ASP A 656 -14.831 7.577 -19.495 1.00 25.00 C ATOM 965 CG ASP A 656 -14.934 6.050 -19.346 1.00 25.00 C ATOM 966 OD1 ASP A 656 -16.045 5.572 -19.036 1.00 25.00 O ATOM 967 OD2 ASP A 656 -13.921 5.330 -19.508 1.00 25.00 O ATOM 0 H ASP A 656 -14.268 9.845 -18.466 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.811 7.339 -18.775 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.499 8.053 -18.777 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.174 7.865 -20.489 1.00 25.00 H new ATOM 972 N HIS A 657 -12.392 9.640 -20.871 1.00 25.00 N ATOM 973 CA HIS A 657 -11.743 10.025 -22.122 1.00 25.00 C ATOM 974 C HIS A 657 -10.906 11.282 -21.936 1.00 25.00 C ATOM 975 O HIS A 657 -11.010 11.970 -20.921 1.00 25.00 O ATOM 976 CB HIS A 657 -12.778 10.257 -23.234 1.00 25.00 C ATOM 977 CG HIS A 657 -13.521 11.551 -23.110 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.595 11.756 -22.282 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.333 12.741 -23.746 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.997 13.016 -22.427 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.264 13.662 -23.310 1.00 25.00 N ATOM 0 H HIS A 657 -12.535 10.408 -20.215 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.089 9.203 -22.415 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.272 10.231 -24.199 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.495 9.436 -23.227 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.568 12.935 -24.483 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -15.823 13.455 -21.887 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -14.363 14.633 -23.607 1.00 25.00 H new ATOM 989 N VAL A 658 -10.091 11.578 -22.934 1.00 25.00 N ATOM 990 CA VAL A 658 -9.295 12.794 -22.982 1.00 25.00 C ATOM 991 C VAL A 658 -9.437 13.320 -24.409 1.00 25.00 C ATOM 992 O VAL A 658 -9.378 12.555 -25.374 1.00 25.00 O ATOM 993 CB VAL A 658 -7.794 12.529 -22.586 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.204 11.326 -23.336 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.931 13.771 -22.837 1.00 25.00 C ATOM 0 H VAL A 658 -9.961 10.973 -23.745 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.644 13.530 -22.258 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.787 12.299 -21.521 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.167 11.180 -23.032 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.781 10.432 -23.100 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.245 11.511 -24.409 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.899 13.560 -22.555 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.972 14.035 -23.894 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.308 14.602 -22.241 1.00 25.00 H new ATOM 1005 N MET A 659 -9.643 14.622 -24.539 1.00 25.00 N ATOM 1006 CA MET A 659 -9.780 15.259 -25.846 1.00 25.00 C ATOM 1007 C MET A 659 -8.445 15.914 -26.175 1.00 25.00 C ATOM 1008 O MET A 659 -7.890 16.638 -25.345 1.00 25.00 O ATOM 1009 CB MET A 659 -10.896 16.312 -25.799 1.00 25.00 C ATOM 1010 CG MET A 659 -11.802 16.308 -27.019 1.00 25.00 C ATOM 1011 SD MET A 659 -10.977 16.880 -28.517 1.00 25.00 S ATOM 1012 CE MET A 659 -12.196 16.435 -29.802 1.00 25.00 C ATOM 0 H MET A 659 -9.720 15.265 -23.751 1.00 25.00 H new ATOM 0 HA MET A 659 -10.042 14.527 -26.610 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.502 16.145 -24.909 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.446 17.299 -25.697 1.00 25.00 H new ATOM 0 HG2 MET A 659 -12.177 15.298 -27.182 1.00 25.00 H new ATOM 0 HG3 MET A 659 -12.667 16.942 -26.824 1.00 25.00 H new ATOM 0 HE1 MET A 659 -11.736 15.756 -30.520 1.00 25.00 H new ATOM 0 HE2 MET A 659 -13.052 15.946 -29.337 1.00 25.00 H new ATOM 0 HE3 MET A 659 -12.528 17.337 -30.316 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.929 15.658 -27.366 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.663 16.235 -27.806 1.00 25.00 C ATOM 1024 C LEU A 660 -6.952 17.127 -28.990 1.00 25.00 C ATOM 1025 O LEU A 660 -7.739 16.764 -29.848 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.679 15.143 -28.231 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.273 14.117 -27.165 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.249 13.181 -27.773 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.691 14.795 -25.915 1.00 25.00 C ATOM 0 H LEU A 660 -8.371 15.048 -28.054 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.214 16.795 -26.985 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.115 14.603 -29.072 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.774 15.627 -28.597 1.00 25.00 H new ATOM 0 HG LEU A 660 -6.158 13.566 -26.848 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.946 12.442 -27.031 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.685 12.674 -28.633 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.378 13.753 -28.093 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.416 14.035 -25.184 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.807 15.370 -26.191 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.437 15.462 -25.482 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.321 18.290 -29.027 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.519 19.265 -30.104 1.00 25.00 C ATOM 1043 C LYS A 661 -5.146 19.736 -30.536 1.00 25.00 C ATOM 1044 O LYS A 661 -4.155 19.321 -29.951 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.365 20.456 -29.616 1.00 25.00 C ATOM 1046 CG LYS A 661 -8.811 20.093 -29.286 1.00 25.00 C ATOM 1047 CD LYS A 661 -9.792 21.071 -29.914 1.00 25.00 C ATOM 1048 CE LYS A 661 -11.206 20.537 -29.774 1.00 25.00 C ATOM 1049 NZ LYS A 661 -12.234 21.467 -30.367 1.00 25.00 N ATOM 0 H LYS A 661 -5.656 18.591 -28.314 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.054 18.809 -30.937 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -6.896 20.883 -28.729 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -7.361 21.231 -30.383 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -9.024 19.085 -29.642 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -8.947 20.085 -28.205 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -9.711 22.044 -29.430 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -9.551 21.218 -30.967 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -11.274 19.565 -30.263 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -11.429 20.379 -28.719 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -13.185 21.074 -30.216 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -12.167 22.397 -29.907 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -12.060 21.571 -31.387 1.00 25.00 H new ATOM 1063 N SER A 662 -5.107 20.602 -31.542 1.00 25.00 N ATOM 1064 CA SER A 662 -3.853 21.169 -32.070 1.00 25.00 C ATOM 1065 C SER A 662 -2.951 20.066 -32.628 1.00 25.00 C ATOM 1066 O SER A 662 -1.768 19.968 -32.292 1.00 25.00 O ATOM 1067 CB SER A 662 -3.115 21.988 -30.999 1.00 25.00 C ATOM 1068 OG SER A 662 -2.068 22.745 -31.580 1.00 25.00 O ATOM 0 H SER A 662 -5.942 20.937 -32.022 1.00 25.00 H new ATOM 0 HA SER A 662 -4.111 21.845 -32.885 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.816 22.654 -30.496 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.709 21.320 -30.239 1.00 25.00 H new ATOM 0 HG SER A 662 -1.427 22.141 -32.010 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.537 19.251 -33.492 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.855 18.137 -34.137 1.00 25.00 C ATOM 1076 C LEU A 663 -3.260 18.145 -35.608 1.00 25.00 C ATOM 1077 O LEU A 663 -4.288 18.731 -35.961 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.239 16.821 -33.438 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.743 16.518 -33.227 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.409 15.928 -34.462 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.879 15.549 -32.057 1.00 25.00 C ATOM 0 H LEU A 663 -4.514 19.346 -33.769 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.772 18.231 -34.063 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.811 16.001 -34.014 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.756 16.810 -32.461 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.250 17.461 -33.021 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.461 15.737 -34.252 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.326 16.631 -35.291 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -4.917 14.993 -34.729 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -5.933 15.323 -31.892 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.341 14.628 -32.283 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.460 16.002 -31.158 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.461 17.518 -36.459 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.737 17.503 -37.898 1.00 25.00 C ATOM 1095 C ASP A 664 -3.989 16.686 -38.168 1.00 25.00 C ATOM 1096 O ASP A 664 -4.223 15.672 -37.528 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.585 16.869 -38.684 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.296 17.675 -38.611 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.304 18.823 -38.128 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.745 17.134 -39.036 1.00 25.00 O ATOM 0 H ASP A 664 -1.618 17.013 -36.185 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.865 18.537 -38.218 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.401 15.865 -38.301 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.881 16.762 -39.728 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.799 17.124 -39.116 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.013 16.395 -39.476 1.00 25.00 C ATOM 1107 C TRP A 665 -5.929 15.831 -40.890 1.00 25.00 C ATOM 1108 O TRP A 665 -6.458 14.764 -41.162 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.235 17.304 -39.321 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.011 18.702 -39.827 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.398 19.723 -39.176 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.414 19.252 -41.099 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.368 20.855 -39.926 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -6.979 20.611 -41.123 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.100 18.741 -42.218 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.198 21.457 -42.230 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.324 19.592 -43.337 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -7.863 20.939 -43.327 1.00 25.00 C ATOM 0 H TRP A 665 -4.643 17.978 -39.652 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.116 15.549 -38.797 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.076 16.863 -39.856 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.514 17.348 -38.268 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -5.984 19.645 -38.182 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -5.956 21.744 -39.641 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.451 17.720 -42.227 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -6.856 22.481 -42.222 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.848 19.212 -44.201 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.035 21.566 -44.189 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.246 16.543 -41.771 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.089 16.151 -43.178 1.00 25.00 C ATOM 1131 C ASN A 666 -3.732 15.484 -43.410 1.00 25.00 C ATOM 1132 O ASN A 666 -3.204 15.485 -44.520 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.196 17.396 -44.069 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.094 18.395 -43.802 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -3.903 18.845 -42.679 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.365 18.741 -44.823 1.00 25.00 N ATOM 0 H ASN A 666 -4.778 17.418 -41.536 1.00 25.00 H new ATOM 0 HA ASN A 666 -5.876 15.440 -43.428 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.162 17.094 -45.116 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.162 17.873 -43.906 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.604 19.409 -44.703 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.555 18.344 -45.743 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.179 14.928 -42.347 1.00 25.00 N ATOM 1144 CA ALA A 667 -1.880 14.274 -42.359 1.00 25.00 C ATOM 1145 C ALA A 667 -1.957 13.396 -41.123 1.00 25.00 C ATOM 1146 O ALA A 667 -2.925 13.510 -40.369 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.737 15.298 -42.250 1.00 25.00 C ATOM 0 H ALA A 667 -3.629 14.918 -41.432 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.674 13.723 -43.276 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.220 14.777 -42.262 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.785 15.988 -43.092 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.835 15.855 -41.318 1.00 25.00 H new ATOM 1153 N GLU A 668 -0.982 12.527 -40.909 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.049 11.620 -39.772 1.00 25.00 C ATOM 1155 C GLU A 668 -0.284 12.097 -38.559 1.00 25.00 C ATOM 1156 O GLU A 668 0.669 12.875 -38.648 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.619 10.206 -40.174 1.00 25.00 C ATOM 1158 CG GLU A 668 0.844 9.956 -40.430 1.00 25.00 C ATOM 1159 CD GLU A 668 1.055 8.532 -40.950 1.00 25.00 C ATOM 1160 OE1 GLU A 668 2.213 8.123 -41.137 1.00 25.00 O ATOM 1161 OE2 GLU A 668 0.036 7.819 -41.183 1.00 25.00 O ATOM 0 H GLU A 668 -0.151 12.430 -41.493 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.096 11.601 -39.469 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.942 9.523 -39.388 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.167 9.935 -41.077 1.00 25.00 H new ATOM 0 HG2 GLU A 668 1.221 10.676 -41.156 1.00 25.00 H new ATOM 0 HG3 GLU A 668 1.412 10.103 -39.511 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.736 11.616 -37.416 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.138 11.933 -36.139 1.00 25.00 C ATOM 1170 C TYR A 669 -0.244 10.691 -35.288 1.00 25.00 C ATOM 1171 O TYR A 669 -1.082 9.827 -35.551 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.877 13.099 -35.480 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.334 12.834 -35.243 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.278 13.083 -36.252 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.786 12.339 -34.004 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.646 12.856 -36.032 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.160 12.109 -33.781 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.073 12.379 -34.798 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.401 12.190 -34.589 1.00 25.00 O ATOM 0 H TYR A 669 -1.537 10.988 -37.351 1.00 25.00 H new ATOM 0 HA TYR A 669 0.903 12.234 -36.259 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.399 13.328 -34.528 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.775 13.984 -36.109 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -2.947 13.454 -37.211 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.074 12.134 -33.218 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.362 13.051 -36.817 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.501 11.727 -32.830 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.736 11.510 -35.210 1.00 25.00 H new ATOM 1189 N GLU A 670 0.607 10.603 -34.285 1.00 25.00 N ATOM 1190 CA GLU A 670 0.659 9.456 -33.391 1.00 25.00 C ATOM 1191 C GLU A 670 0.403 9.944 -31.972 1.00 25.00 C ATOM 1192 O GLU A 670 0.819 11.045 -31.598 1.00 25.00 O ATOM 1193 CB GLU A 670 2.029 8.766 -33.501 1.00 25.00 C ATOM 1194 CG GLU A 670 3.224 9.679 -33.195 1.00 25.00 C ATOM 1195 CD GLU A 670 4.555 9.022 -33.510 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.847 7.951 -32.942 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.321 9.589 -34.327 1.00 25.00 O ATOM 0 H GLU A 670 1.288 11.329 -34.063 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.102 8.725 -33.664 1.00 25.00 H new ATOM 0 HB2 GLU A 670 2.051 7.917 -32.817 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.141 8.366 -34.509 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.131 10.599 -33.772 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.202 9.960 -32.142 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.295 9.136 -31.190 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.627 9.480 -29.808 1.00 25.00 C ATOM 1206 C VAL A 671 -0.230 8.337 -28.898 1.00 25.00 C ATOM 1207 O VAL A 671 -0.586 7.203 -29.168 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.164 9.679 -29.645 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.526 10.042 -28.192 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.689 10.756 -30.605 1.00 25.00 C ATOM 0 H VAL A 671 -0.648 8.227 -31.489 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.098 10.398 -29.553 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.643 8.732 -29.894 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.605 10.175 -28.108 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.206 9.240 -27.526 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.024 10.968 -27.912 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.764 10.873 -30.468 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.192 11.703 -30.396 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.484 10.458 -31.633 1.00 25.00 H new ATOM 1220 N TYR A 672 0.482 8.639 -27.822 1.00 25.00 N ATOM 1221 CA TYR A 672 0.845 7.657 -26.800 1.00 25.00 C ATOM 1222 C TYR A 672 0.264 8.144 -25.494 1.00 25.00 C ATOM 1223 O TYR A 672 0.299 9.337 -25.203 1.00 25.00 O ATOM 1224 CB TYR A 672 2.361 7.543 -26.653 1.00 25.00 C ATOM 1225 CG TYR A 672 2.982 6.672 -27.706 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.379 5.352 -27.408 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.161 7.150 -29.012 1.00 25.00 C ATOM 1228 CE1 TYR A 672 3.936 4.516 -28.409 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.731 6.322 -30.020 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.108 5.012 -29.709 1.00 25.00 C ATOM 1231 OH TYR A 672 4.636 4.201 -30.680 1.00 25.00 O ATOM 0 H TYR A 672 0.829 9.579 -27.628 1.00 25.00 H new ATOM 0 HA TYR A 672 0.461 6.676 -27.080 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.803 8.538 -26.704 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.597 7.140 -25.668 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.257 4.973 -26.404 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.863 8.159 -29.256 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.226 3.503 -28.171 1.00 25.00 H new ATOM 0 HE2 TYR A 672 3.872 6.704 -31.020 1.00 25.00 H new ATOM 0 HH TYR A 672 4.689 4.694 -31.525 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.275 7.236 -24.703 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.867 7.601 -23.426 1.00 25.00 C ATOM 1243 C VAL A 673 -0.514 6.536 -22.395 1.00 25.00 C ATOM 1244 O VAL A 673 -0.576 5.333 -22.674 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.421 7.802 -23.579 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.066 6.652 -24.379 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.107 7.986 -22.211 1.00 25.00 C ATOM 0 H VAL A 673 -0.316 6.240 -24.920 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.464 8.553 -23.080 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.572 8.720 -24.147 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.139 6.825 -24.464 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.625 6.610 -25.375 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.891 5.707 -23.864 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.179 8.122 -22.357 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -2.934 7.103 -21.595 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.695 8.863 -21.712 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.132 6.989 -21.207 1.00 25.00 N ATOM 1258 CA VAL A 674 0.147 6.105 -20.077 1.00 25.00 C ATOM 1259 C VAL A 674 -0.493 6.719 -18.843 1.00 25.00 C ATOM 1260 O VAL A 674 -0.764 7.929 -18.799 1.00 25.00 O ATOM 1261 CB VAL A 674 1.682 5.912 -19.807 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.338 5.156 -20.940 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.389 7.246 -19.615 1.00 25.00 C ATOM 0 H VAL A 674 -0.006 7.979 -20.998 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.259 5.121 -20.311 1.00 25.00 H new ATOM 0 HB VAL A 674 1.773 5.334 -18.887 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.401 5.035 -20.730 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.874 4.175 -21.040 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.213 5.712 -21.869 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.449 7.073 -19.430 1.00 25.00 H new ATOM 0 HG22 VAL A 674 2.271 7.853 -20.513 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.953 7.769 -18.764 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.721 5.885 -17.846 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.277 6.309 -16.576 1.00 25.00 C ATOM 1275 C ALA A 675 -0.169 6.151 -15.547 1.00 25.00 C ATOM 1276 O ALA A 675 0.724 5.327 -15.715 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.473 5.447 -16.222 1.00 25.00 C ATOM 0 H ALA A 675 -0.524 4.886 -17.896 1.00 25.00 H new ATOM 0 HA ALA A 675 -1.623 7.342 -16.613 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -2.885 5.772 -15.267 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.233 5.544 -16.997 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.161 4.405 -16.148 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.226 6.933 -14.490 1.00 25.00 N ATOM 1284 CA GLU A 676 0.747 6.859 -13.415 1.00 25.00 C ATOM 1285 C GLU A 676 -0.020 6.871 -12.108 1.00 25.00 C ATOM 1286 O GLU A 676 -0.994 7.600 -11.968 1.00 25.00 O ATOM 1287 CB GLU A 676 1.680 8.072 -13.506 1.00 25.00 C ATOM 1288 CG GLU A 676 2.702 8.204 -12.388 1.00 25.00 C ATOM 1289 CD GLU A 676 2.354 9.336 -11.440 1.00 25.00 C ATOM 1290 OE1 GLU A 676 1.330 9.248 -10.740 1.00 25.00 O ATOM 1291 OE2 GLU A 676 3.102 10.331 -11.406 1.00 25.00 O ATOM 0 H GLU A 676 -0.948 7.640 -14.349 1.00 25.00 H new ATOM 0 HA GLU A 676 1.351 5.954 -13.482 1.00 25.00 H new ATOM 0 HB2 GLU A 676 2.212 8.027 -14.456 1.00 25.00 H new ATOM 0 HB3 GLU A 676 1.070 8.975 -13.524 1.00 25.00 H new ATOM 0 HG2 GLU A 676 2.756 7.268 -11.832 1.00 25.00 H new ATOM 0 HG3 GLU A 676 3.689 8.378 -12.816 1.00 25.00 H new ATOM 1298 N ASN A 677 0.411 6.084 -11.143 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.168 6.144 -9.819 1.00 25.00 C ATOM 1300 C ASN A 677 1.020 6.273 -8.887 1.00 25.00 C ATOM 1301 O ASN A 677 2.162 6.206 -9.317 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.138 4.974 -9.503 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.451 3.637 -9.294 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.754 3.530 -9.255 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.244 2.607 -9.147 1.00 25.00 N ATOM 0 H ASN A 677 1.158 5.398 -11.251 1.00 25.00 H new ATOM 0 HA ASN A 677 -0.839 6.995 -9.703 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -1.708 5.221 -8.607 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.853 4.879 -10.320 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.851 1.678 -8.994 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.256 2.733 -9.185 1.00 25.00 H new ATOM 1312 N GLN A 678 0.748 6.470 -7.614 1.00 25.00 N ATOM 1313 CA GLN A 678 1.785 6.698 -6.615 1.00 25.00 C ATOM 1314 C GLN A 678 2.719 5.485 -6.365 1.00 25.00 C ATOM 1315 O GLN A 678 3.604 5.553 -5.519 1.00 25.00 O ATOM 1316 CB GLN A 678 1.125 7.203 -5.327 1.00 25.00 C ATOM 1317 CG GLN A 678 0.070 6.261 -4.767 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.517 6.756 -3.467 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.424 7.581 -3.459 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.019 6.256 -2.370 1.00 25.00 N ATOM 0 H GLN A 678 -0.199 6.478 -7.236 1.00 25.00 H new ATOM 0 HA GLN A 678 2.459 7.458 -7.010 1.00 25.00 H new ATOM 0 HB2 GLN A 678 1.896 7.360 -4.572 1.00 25.00 H new ATOM 0 HB3 GLN A 678 0.667 8.173 -5.521 1.00 25.00 H new ATOM 0 HG2 GLN A 678 -0.728 6.139 -5.499 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.512 5.277 -4.611 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.736 5.571 -2.418 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -0.384 6.550 -1.464 1.00 25.00 H new ATOM 1329 N GLN A 679 2.521 4.391 -7.096 1.00 25.00 N ATOM 1330 CA GLN A 679 3.381 3.205 -7.003 1.00 25.00 C ATOM 1331 C GLN A 679 4.246 3.033 -8.257 1.00 25.00 C ATOM 1332 O GLN A 679 5.390 2.605 -8.168 1.00 25.00 O ATOM 1333 CB GLN A 679 2.536 1.942 -6.844 1.00 25.00 C ATOM 1334 CG GLN A 679 2.273 1.549 -5.415 1.00 25.00 C ATOM 1335 CD GLN A 679 1.364 2.500 -4.669 1.00 25.00 C ATOM 1336 OE1 GLN A 679 1.689 2.954 -3.575 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.222 2.794 -5.234 1.00 25.00 N ATOM 0 H GLN A 679 1.761 4.298 -7.770 1.00 25.00 H new ATOM 0 HA GLN A 679 4.023 3.351 -6.134 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.582 2.091 -7.349 1.00 25.00 H new ATOM 0 HB3 GLN A 679 3.038 1.117 -7.349 1.00 25.00 H new ATOM 0 HG2 GLN A 679 1.830 0.553 -5.399 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.224 1.483 -4.887 1.00 25.00 H new ATOM 0 HE21 GLN A 679 -0.014 2.398 -6.144 1.00 25.00 H new ATOM 0 HE22 GLN A 679 -0.433 3.420 -4.765 1.00 25.00 H new ATOM 1346 N GLY A 680 3.690 3.338 -9.423 1.00 25.00 N ATOM 1347 CA GLY A 680 4.410 3.148 -10.672 1.00 25.00 C ATOM 1348 C GLY A 680 3.573 3.574 -11.862 1.00 25.00 C ATOM 1349 O GLY A 680 2.549 4.233 -11.695 1.00 25.00 O ATOM 0 H GLY A 680 2.748 3.716 -9.528 1.00 25.00 H new ATOM 0 HA2 GLY A 680 5.336 3.723 -10.651 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.689 2.099 -10.778 1.00 25.00 H new ATOM 1353 N LYS A 681 3.998 3.216 -13.069 1.00 25.00 N ATOM 1354 CA LYS A 681 3.286 3.632 -14.285 1.00 25.00 C ATOM 1355 C LYS A 681 2.768 2.454 -15.081 1.00 25.00 C ATOM 1356 O LYS A 681 3.254 1.339 -14.952 1.00 25.00 O ATOM 1357 CB LYS A 681 4.182 4.501 -15.167 1.00 25.00 C ATOM 1358 CG LYS A 681 4.711 5.723 -14.433 1.00 25.00 C ATOM 1359 CD LYS A 681 4.902 6.924 -15.352 1.00 25.00 C ATOM 1360 CE LYS A 681 5.966 6.678 -16.405 1.00 25.00 C ATOM 1361 NZ LYS A 681 6.313 7.964 -17.101 1.00 25.00 N ATOM 0 H LYS A 681 4.825 2.643 -13.237 1.00 25.00 H new ATOM 0 HA LYS A 681 2.425 4.215 -13.959 1.00 25.00 H new ATOM 0 HB2 LYS A 681 5.021 3.905 -15.526 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.621 4.823 -16.044 1.00 25.00 H new ATOM 0 HG2 LYS A 681 4.020 5.989 -13.633 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.663 5.476 -13.963 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.957 7.159 -15.841 1.00 25.00 H new ATOM 0 HD3 LYS A 681 5.177 7.795 -14.757 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.857 6.255 -15.941 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.608 5.948 -17.131 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 7.043 7.784 -17.820 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.463 8.351 -17.559 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.674 8.649 -16.406 1.00 25.00 H new ATOM 1375 N SER A 682 1.765 2.729 -15.893 1.00 25.00 N ATOM 1376 CA SER A 682 1.091 1.715 -16.686 1.00 25.00 C ATOM 1377 C SER A 682 1.814 1.435 -17.988 1.00 25.00 C ATOM 1378 O SER A 682 2.749 2.144 -18.370 1.00 25.00 O ATOM 1379 CB SER A 682 -0.320 2.199 -17.023 1.00 25.00 C ATOM 1380 OG SER A 682 -0.317 3.055 -18.159 1.00 25.00 O ATOM 0 H SER A 682 1.391 3.669 -16.023 1.00 25.00 H new ATOM 0 HA SER A 682 1.071 0.799 -16.096 1.00 25.00 H new ATOM 0 HB2 SER A 682 -0.965 1.341 -17.214 1.00 25.00 H new ATOM 0 HB3 SER A 682 -0.739 2.729 -16.167 1.00 25.00 H new ATOM 0 HG SER A 682 -0.291 2.514 -18.976 1.00 25.00 H new ATOM 1386 N LYS A 683 1.356 0.409 -18.691 1.00 25.00 N ATOM 1387 CA LYS A 683 1.871 0.104 -20.017 1.00 25.00 C ATOM 1388 C LYS A 683 1.271 1.144 -20.959 1.00 25.00 C ATOM 1389 O LYS A 683 0.212 1.696 -20.669 1.00 25.00 O ATOM 1390 CB LYS A 683 1.437 -1.295 -20.438 1.00 25.00 C ATOM 1391 CG LYS A 683 2.551 -2.114 -21.086 1.00 25.00 C ATOM 1392 CD LYS A 683 2.068 -3.508 -21.502 1.00 25.00 C ATOM 1393 CE LYS A 683 1.021 -3.433 -22.621 1.00 25.00 C ATOM 1394 NZ LYS A 683 0.616 -4.800 -23.100 1.00 25.00 N ATOM 0 H LYS A 683 0.628 -0.226 -18.364 1.00 25.00 H new ATOM 0 HA LYS A 683 2.960 0.132 -20.036 1.00 25.00 H new ATOM 0 HB2 LYS A 683 1.067 -1.830 -19.563 1.00 25.00 H new ATOM 0 HB3 LYS A 683 0.605 -1.213 -21.137 1.00 25.00 H new ATOM 0 HG2 LYS A 683 2.929 -1.585 -21.961 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.383 -2.211 -20.388 1.00 25.00 H new ATOM 0 HD2 LYS A 683 2.918 -4.103 -21.837 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.642 -4.019 -20.638 1.00 25.00 H new ATOM 0 HE2 LYS A 683 0.142 -2.899 -22.261 1.00 25.00 H new ATOM 0 HE3 LYS A 683 1.422 -2.859 -23.456 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 -0.092 -4.707 -23.856 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.450 -5.301 -23.467 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 0.210 -5.339 -22.309 1.00 25.00 H new ATOM 1408 N ALA A 684 1.944 1.413 -22.064 1.00 25.00 N ATOM 1409 CA ALA A 684 1.462 2.393 -23.031 1.00 25.00 C ATOM 1410 C ALA A 684 0.451 1.794 -24.000 1.00 25.00 C ATOM 1411 O ALA A 684 0.444 0.583 -24.240 1.00 25.00 O ATOM 1412 CB ALA A 684 2.657 2.964 -23.822 1.00 25.00 C ATOM 0 H ALA A 684 2.826 0.968 -22.317 1.00 25.00 H new ATOM 0 HA ALA A 684 0.959 3.185 -22.477 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.298 3.696 -24.545 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.353 3.444 -23.134 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.166 2.155 -24.347 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.358 2.669 -24.575 1.00 25.00 N ATOM 1419 CA ALA A 685 -1.259 2.323 -25.662 1.00 25.00 C ATOM 1420 C ALA A 685 -1.039 3.455 -26.663 1.00 25.00 C ATOM 1421 O ALA A 685 -0.862 4.607 -26.249 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.715 2.272 -25.188 1.00 25.00 C ATOM 0 H ALA A 685 -0.408 3.649 -24.297 1.00 25.00 H new ATOM 0 HA ALA A 685 -1.064 1.336 -26.081 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -3.361 2.011 -26.026 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.816 1.522 -24.404 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -3.005 3.247 -24.797 1.00 25.00 H new ATOM 1428 N HIS A 686 -1.015 3.133 -27.947 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.773 4.125 -28.986 1.00 25.00 C ATOM 1430 C HIS A 686 -1.576 3.888 -30.253 1.00 25.00 C ATOM 1431 O HIS A 686 -1.885 2.746 -30.590 1.00 25.00 O ATOM 1432 CB HIS A 686 0.707 4.169 -29.323 1.00 25.00 C ATOM 1433 CG HIS A 686 1.272 2.854 -29.757 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.406 2.459 -31.064 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.765 1.817 -29.024 1.00 25.00 C ATOM 1436 CE1 HIS A 686 1.952 1.247 -31.079 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.191 0.805 -29.859 1.00 25.00 N ATOM 0 H HIS A 686 -1.161 2.186 -28.297 1.00 25.00 H new ATOM 0 HA HIS A 686 -1.104 5.081 -28.580 1.00 25.00 H new ATOM 0 HB2 HIS A 686 0.867 4.901 -30.115 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.258 4.519 -28.450 1.00 25.00 H new ATOM 0 HD2 HIS A 686 1.815 1.791 -27.945 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.173 0.692 -31.979 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.601 -0.090 -29.592 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.917 4.966 -30.944 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.677 4.879 -32.190 1.00 25.00 C ATOM 1447 C PHE A 687 -2.293 6.007 -33.149 1.00 25.00 C ATOM 1448 O PHE A 687 -1.774 7.040 -32.722 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.182 4.872 -31.913 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.781 6.234 -31.676 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.640 6.885 -30.435 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.512 6.868 -32.698 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.243 8.155 -30.211 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.110 8.129 -32.483 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.980 8.768 -31.236 1.00 25.00 C ATOM 0 H PHE A 687 -1.680 5.918 -30.664 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.424 3.936 -32.674 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.692 4.407 -32.757 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.375 4.248 -31.041 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.070 6.417 -29.647 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.617 6.384 -33.658 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.134 8.645 -29.255 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.668 8.604 -33.277 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.446 9.728 -31.068 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.529 5.779 -34.437 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.200 6.732 -35.505 1.00 25.00 C ATOM 1467 C VAL A 688 -3.492 7.000 -36.277 1.00 25.00 C ATOM 1468 O VAL A 688 -4.255 6.067 -36.531 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.111 6.133 -36.464 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.773 7.099 -37.615 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.171 5.804 -35.679 1.00 25.00 C ATOM 0 H VAL A 688 -2.959 4.919 -34.778 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.795 7.653 -35.086 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.523 5.220 -36.893 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.016 6.649 -38.257 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.672 7.298 -38.199 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.392 8.034 -37.205 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.917 5.390 -36.357 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.561 6.713 -35.222 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.056 5.076 -34.900 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.756 8.252 -36.637 1.00 25.00 N ATOM 1482 CA PHE A 689 -5.006 8.609 -37.322 1.00 25.00 C ATOM 1483 C PHE A 689 -4.835 9.774 -38.306 1.00 25.00 C ATOM 1484 O PHE A 689 -3.955 10.606 -38.129 1.00 25.00 O ATOM 1485 CB PHE A 689 -6.041 8.995 -36.254 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.389 9.373 -36.813 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.708 10.723 -37.065 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.345 8.384 -37.098 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.970 11.087 -37.583 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.610 8.736 -37.628 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.923 10.093 -37.865 1.00 25.00 C ATOM 0 H PHE A 689 -3.128 9.038 -36.469 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.330 7.747 -37.906 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.166 8.159 -35.566 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.653 9.831 -35.673 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.976 11.490 -36.859 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.113 7.346 -36.911 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.202 12.126 -37.762 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.335 7.967 -37.851 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.890 10.365 -38.261 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.699 9.825 -39.323 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.787 10.952 -40.274 1.00 25.00 C ATOM 1503 C ARG A 690 -7.226 10.994 -40.747 1.00 25.00 C ATOM 1504 O ARG A 690 -7.903 9.970 -40.731 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.911 10.807 -41.537 1.00 25.00 C ATOM 1506 CG ARG A 690 -3.761 9.828 -41.481 1.00 25.00 C ATOM 1507 CD ARG A 690 -4.114 8.390 -41.824 1.00 25.00 C ATOM 1508 NE ARG A 690 -2.905 7.550 -41.729 1.00 25.00 N ATOM 1509 CZ ARG A 690 -2.852 6.240 -41.915 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -3.913 5.525 -42.204 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -1.701 5.645 -41.805 1.00 25.00 N ATOM 0 H ARG A 690 -6.368 9.080 -39.517 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.440 11.843 -39.751 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.559 10.517 -42.364 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -4.505 11.789 -41.779 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -2.983 10.167 -42.166 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -3.335 9.851 -40.478 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -4.881 8.020 -41.143 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -4.529 8.336 -42.831 1.00 25.00 H new ATOM 0 HE ARG A 690 -2.030 8.021 -41.499 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -4.823 5.976 -42.293 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -3.828 4.518 -42.339 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -0.866 6.187 -41.580 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -1.633 4.637 -41.943 1.00 25.00 H new ATOM 1525 N THR A 691 -7.674 12.151 -41.196 1.00 25.00 N ATOM 1526 CA THR A 691 -9.010 12.314 -41.771 1.00 25.00 C ATOM 1527 C THR A 691 -8.792 13.155 -43.033 1.00 25.00 C ATOM 1528 O THR A 691 -7.646 13.364 -43.423 1.00 25.00 O ATOM 1529 CB THR A 691 -10.011 12.956 -40.753 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.326 12.981 -41.319 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.620 14.373 -40.361 1.00 25.00 C ATOM 0 H THR A 691 -7.126 13.011 -41.175 1.00 25.00 H new ATOM 0 HA THR A 691 -9.477 11.361 -42.018 1.00 25.00 H new ATOM 0 HB THR A 691 -9.986 12.341 -39.853 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.950 13.382 -40.679 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.349 14.769 -39.654 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.633 14.363 -39.898 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.598 15.003 -41.250 1.00 25.00 H new ATOM 1539 N HIS A 692 -9.867 13.613 -43.666 1.00 25.00 N ATOM 1540 CA HIS A 692 -9.793 14.462 -44.869 1.00 25.00 C ATOM 1541 C HIS A 692 -8.978 13.826 -46.010 1.00 25.00 C ATOM 1542 O HIS A 692 -8.337 14.510 -46.804 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.231 15.844 -44.500 1.00 25.00 C ATOM 1544 CG HIS A 692 -9.699 16.946 -45.399 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -10.873 17.638 -45.233 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -9.124 17.490 -46.508 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -10.963 18.543 -46.202 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -9.923 18.500 -47.008 1.00 25.00 N ATOM 0 H HIS A 692 -10.820 13.410 -43.365 1.00 25.00 H new ATOM 0 HA HIS A 692 -10.809 14.570 -45.248 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.515 16.079 -43.474 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.142 15.802 -44.528 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -8.182 17.177 -46.934 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -11.789 19.230 -46.315 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -9.746 19.085 -47.824 1.00 25.00 H new