USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 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 -76:sc= 0.499 USER MOD Set 1.2: A 618 LYS NZ :NH3+ 176:sc= 0.695 (180deg=0.538) USER MOD Set 1.3: A 659 MET CE :methyl 148:sc= 0 (180deg=-0.873) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.16) USER MOD Single : A 609 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.32) USER MOD Single : A 610 MET CE :methyl -177:sc= 0 (180deg=-0.00747) USER MOD Single : A 615 ASN : amide:sc= 0.817 K(o=0.82,f=-0.12) USER MOD Single : A 620 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.2) USER MOD Single : A 623 LYS NZ :NH3+ -177:sc= -0.0949 (180deg=-0.15) USER MOD Single : A 624 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.38) USER MOD Single : A 629 SER OG : rot 180:sc= 0 USER MOD Single : A 633 HIS : no HE2:sc= 0.882 K(o=0.88,f=-3.8!) USER MOD Single : A 634 TYR OH : rot 77:sc= 1.08 USER MOD Single : A 638 TYR OH : rot 45:sc= 1.25 USER MOD Single : A 642 SER OG : rot -40:sc= 0.608 USER MOD Single : A 643 SER OG : rot 92:sc= 0.919 USER MOD Single : A 646 LYS NZ :NH3+ -142:sc= 0.5 (180deg=-0.00268) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -81:sc= 0.64 USER MOD Single : A 657 HIS : no HD1:sc=-0.00833 X(o=-0.0083,f=0) USER MOD Single : A 661 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.237) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 666 ASN : amide:sc= 0.363 K(o=0.36,f=-3.4!) USER MOD Single : A 669 TYR OH : rot -15:sc= -0.351 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0.00835 K(o=0.0084,f=-8.1!) USER MOD Single : A 678 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 679 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.024) USER MOD Single : A 681 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0.897) USER MOD Single : A 682 SER OG : rot 83:sc= 1.08 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=-0.032) USER MOD Single : A 691 THR OG1 : rot 33:sc= 0.198 USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.528 -2.949 -4.011 1.00 25.00 N ATOM 52 CA VAL A 598 -0.126 -2.160 -5.045 1.00 25.00 C ATOM 53 C VAL A 598 0.490 -2.482 -6.396 1.00 25.00 C ATOM 54 O VAL A 598 1.651 -2.181 -6.649 1.00 25.00 O ATOM 55 CB VAL A 598 0.003 -0.639 -4.764 1.00 25.00 C ATOM 56 CG1 VAL A 598 -0.589 0.191 -5.909 1.00 25.00 C ATOM 57 CG2 VAL A 598 -0.686 -0.294 -3.432 1.00 25.00 C ATOM 0 HA VAL A 598 -1.186 -2.415 -5.047 1.00 25.00 H new ATOM 0 HB VAL A 598 1.062 -0.391 -4.692 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.483 1.252 -5.682 1.00 25.00 H new ATOM 0 HG12 VAL A 598 -0.060 -0.036 -6.835 1.00 25.00 H new ATOM 0 HG13 VAL A 598 -1.645 -0.051 -6.026 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -0.592 0.775 -3.240 1.00 25.00 H new ATOM 0 HG22 VAL A 598 -1.741 -0.561 -3.488 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -0.213 -0.851 -2.623 1.00 25.00 H new ATOM 67 N ARG A 599 -0.300 -3.089 -7.271 1.00 25.00 N ATOM 68 CA ARG A 599 0.162 -3.383 -8.621 1.00 25.00 C ATOM 69 C ARG A 599 -0.005 -2.097 -9.421 1.00 25.00 C ATOM 70 O ARG A 599 -0.887 -1.273 -9.118 1.00 25.00 O ATOM 71 CB ARG A 599 -0.627 -4.555 -9.240 1.00 25.00 C ATOM 72 CG ARG A 599 -2.109 -4.272 -9.444 1.00 25.00 C ATOM 73 CD ARG A 599 -2.863 -5.439 -10.084 1.00 25.00 C ATOM 74 NE ARG A 599 -4.264 -5.064 -10.371 1.00 25.00 N ATOM 75 CZ ARG A 599 -5.301 -5.232 -9.553 1.00 25.00 C ATOM 76 NH1 ARG A 599 -5.187 -5.788 -8.370 1.00 25.00 N ATOM 77 NH2 ARG A 599 -6.475 -4.821 -9.934 1.00 25.00 N ATOM 0 H ARG A 599 -1.256 -3.385 -7.073 1.00 25.00 H new ATOM 0 HA ARG A 599 1.205 -3.701 -8.621 1.00 25.00 H new ATOM 0 HB2 ARG A 599 -0.182 -4.810 -10.202 1.00 25.00 H new ATOM 0 HB3 ARG A 599 -0.521 -5.429 -8.598 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.564 -4.039 -8.481 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -2.220 -3.388 -10.072 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -2.365 -5.737 -11.007 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -2.842 -6.301 -9.417 1.00 25.00 H new ATOM 0 HE ARG A 599 -4.453 -4.638 -11.278 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -4.276 -6.112 -8.044 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -6.009 -5.897 -7.776 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -6.589 -4.379 -10.846 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -7.281 -4.941 -9.321 1.00 25.00 H new ATOM 91 N GLU A 600 0.836 -1.920 -10.423 1.00 25.00 N ATOM 92 CA GLU A 600 0.776 -0.738 -11.275 1.00 25.00 C ATOM 93 C GLU A 600 -0.503 -0.779 -12.120 1.00 25.00 C ATOM 94 O GLU A 600 -1.084 -1.853 -12.331 1.00 25.00 O ATOM 95 CB GLU A 600 2.012 -0.684 -12.180 1.00 25.00 C ATOM 96 CG GLU A 600 3.283 -0.307 -11.435 1.00 25.00 C ATOM 97 CD GLU A 600 4.452 -0.039 -12.377 1.00 25.00 C ATOM 98 OE1 GLU A 600 4.957 1.112 -12.394 1.00 25.00 O ATOM 99 OE2 GLU A 600 4.870 -0.976 -13.088 1.00 25.00 O ATOM 0 H GLU A 600 1.573 -2.580 -10.671 1.00 25.00 H new ATOM 0 HA GLU A 600 0.761 0.157 -10.653 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.151 -1.656 -12.653 1.00 25.00 H new ATOM 0 HB3 GLU A 600 1.839 0.038 -12.978 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.097 0.580 -10.830 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.550 -1.110 -10.748 1.00 25.00 H new ATOM 106 N PRO A 601 -0.971 0.387 -12.604 1.00 25.00 N ATOM 107 CA PRO A 601 -2.191 0.366 -13.419 1.00 25.00 C ATOM 108 C PRO A 601 -2.035 -0.300 -14.786 1.00 25.00 C ATOM 109 O PRO A 601 -0.945 -0.398 -15.345 1.00 25.00 O ATOM 110 CB PRO A 601 -2.520 1.851 -13.580 1.00 25.00 C ATOM 111 CG PRO A 601 -1.226 2.536 -13.452 1.00 25.00 C ATOM 112 CD PRO A 601 -0.455 1.761 -12.442 1.00 25.00 C ATOM 0 HA PRO A 601 -2.968 -0.228 -12.939 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -2.980 2.052 -14.547 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.223 2.186 -12.817 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -0.702 2.563 -14.407 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.361 3.569 -13.133 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.618 1.813 -12.628 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.622 2.137 -11.433 1.00 25.00 H new ATOM 120 N SER A 602 -3.158 -0.748 -15.319 1.00 25.00 N ATOM 121 CA SER A 602 -3.211 -1.385 -16.626 1.00 25.00 C ATOM 122 C SER A 602 -3.147 -0.293 -17.682 1.00 25.00 C ATOM 123 O SER A 602 -3.494 0.858 -17.411 1.00 25.00 O ATOM 124 CB SER A 602 -4.495 -2.202 -16.780 1.00 25.00 C ATOM 125 OG SER A 602 -4.475 -2.955 -17.983 1.00 25.00 O ATOM 0 H SER A 602 -4.064 -0.680 -14.856 1.00 25.00 H new ATOM 0 HA SER A 602 -2.372 -2.071 -16.740 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.608 -2.873 -15.928 1.00 25.00 H new ATOM 0 HB3 SER A 602 -5.357 -1.535 -16.778 1.00 25.00 H new ATOM 0 HG SER A 602 -5.305 -3.471 -18.060 1.00 25.00 H new ATOM 131 N ALA A 603 -2.685 -0.646 -18.874 1.00 25.00 N ATOM 132 CA ALA A 603 -2.586 0.307 -19.973 1.00 25.00 C ATOM 133 C ALA A 603 -3.948 0.996 -20.206 1.00 25.00 C ATOM 134 O ALA A 603 -5.012 0.380 -20.013 1.00 25.00 O ATOM 135 CB ALA A 603 -2.127 -0.419 -21.251 1.00 25.00 C ATOM 0 H ALA A 603 -2.372 -1.589 -19.106 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.852 1.071 -19.717 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -2.054 0.297 -22.070 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.152 -0.875 -21.080 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.849 -1.193 -21.509 1.00 25.00 H new ATOM 141 N PRO A 604 -3.934 2.277 -20.616 1.00 25.00 N ATOM 142 CA PRO A 604 -5.215 2.948 -20.849 1.00 25.00 C ATOM 143 C PRO A 604 -5.986 2.348 -22.010 1.00 25.00 C ATOM 144 O PRO A 604 -5.424 1.715 -22.900 1.00 25.00 O ATOM 145 CB PRO A 604 -4.802 4.398 -21.116 1.00 25.00 C ATOM 146 CG PRO A 604 -3.450 4.290 -21.642 1.00 25.00 C ATOM 147 CD PRO A 604 -2.804 3.182 -20.890 1.00 25.00 C ATOM 0 HA PRO A 604 -5.901 2.847 -20.008 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.471 4.878 -21.831 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -4.829 4.995 -20.204 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.463 4.080 -22.711 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -2.903 5.223 -21.507 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -2.026 2.693 -21.477 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.335 3.535 -19.971 1.00 25.00 H new ATOM 155 N LYS A 605 -7.294 2.541 -21.970 1.00 25.00 N ATOM 156 CA LYS A 605 -8.195 1.960 -22.963 1.00 25.00 C ATOM 157 C LYS A 605 -8.234 2.913 -24.144 1.00 25.00 C ATOM 158 O LYS A 605 -8.132 4.115 -23.958 1.00 25.00 O ATOM 159 CB LYS A 605 -9.581 1.769 -22.334 1.00 25.00 C ATOM 160 CG LYS A 605 -9.822 0.359 -21.717 1.00 25.00 C ATOM 161 CD LYS A 605 -8.732 -0.136 -20.715 1.00 25.00 C ATOM 162 CE LYS A 605 -8.683 0.659 -19.399 1.00 25.00 C ATOM 163 NZ LYS A 605 -7.541 0.166 -18.537 1.00 25.00 N ATOM 0 H LYS A 605 -7.762 3.099 -21.256 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.855 0.981 -23.302 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.720 2.520 -21.557 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.340 1.953 -23.095 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -10.784 0.366 -21.205 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.899 -0.364 -22.529 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -8.914 -1.186 -20.486 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -7.757 -0.079 -21.198 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -8.557 1.721 -19.611 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.626 0.550 -18.864 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -7.557 0.662 -17.623 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -7.642 -0.857 -18.378 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -6.638 0.354 -19.017 1.00 25.00 H new ATOM 177 N LEU A 606 -8.362 2.391 -25.353 1.00 25.00 N ATOM 178 CA LEU A 606 -8.339 3.229 -26.543 1.00 25.00 C ATOM 179 C LEU A 606 -9.399 2.750 -27.516 1.00 25.00 C ATOM 180 O LEU A 606 -9.320 1.649 -28.038 1.00 25.00 O ATOM 181 CB LEU A 606 -6.938 3.179 -27.188 1.00 25.00 C ATOM 182 CG LEU A 606 -6.626 4.070 -28.414 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.099 3.448 -29.732 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.216 5.474 -28.257 1.00 25.00 C ATOM 0 H LEU A 606 -8.483 1.395 -25.537 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.555 4.263 -26.272 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.213 3.427 -26.412 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.751 2.146 -27.480 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.540 4.148 -28.456 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.854 4.116 -30.558 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.602 2.489 -29.881 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.178 3.296 -29.696 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.976 6.070 -29.137 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.298 5.404 -28.150 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.794 5.949 -27.371 1.00 25.00 H new ATOM 196 N GLU A 607 -10.382 3.607 -27.765 1.00 25.00 N ATOM 197 CA GLU A 607 -11.472 3.279 -28.683 1.00 25.00 C ATOM 198 C GLU A 607 -11.346 4.050 -30.006 1.00 25.00 C ATOM 199 O GLU A 607 -12.143 3.866 -30.913 1.00 25.00 O ATOM 200 CB GLU A 607 -12.824 3.577 -28.022 1.00 25.00 C ATOM 201 CG GLU A 607 -12.903 3.197 -26.533 1.00 25.00 C ATOM 202 CD GLU A 607 -12.436 1.777 -26.232 1.00 25.00 C ATOM 203 OE1 GLU A 607 -11.516 1.629 -25.389 1.00 25.00 O ATOM 204 OE2 GLU A 607 -12.980 0.820 -26.816 1.00 25.00 O ATOM 0 H GLU A 607 -10.449 4.534 -27.346 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.410 2.215 -28.911 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -13.038 4.641 -28.124 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.604 3.042 -28.563 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -12.299 3.898 -25.957 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -13.933 3.310 -26.193 1.00 25.00 H new ATOM 211 N GLY A 608 -10.338 4.917 -30.094 1.00 25.00 N ATOM 212 CA GLY A 608 -10.074 5.681 -31.314 1.00 25.00 C ATOM 213 C GLY A 608 -11.271 6.450 -31.850 1.00 25.00 C ATOM 214 O GLY A 608 -11.637 6.302 -33.014 1.00 25.00 O ATOM 0 H GLY A 608 -9.688 5.109 -29.332 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.265 6.384 -31.119 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.722 4.997 -32.087 1.00 25.00 H new ATOM 218 N GLN A 609 -11.901 7.264 -31.016 1.00 25.00 N ATOM 219 CA GLN A 609 -13.124 7.942 -31.417 1.00 25.00 C ATOM 220 C GLN A 609 -12.729 9.153 -32.238 1.00 25.00 C ATOM 221 O GLN A 609 -12.152 10.109 -31.722 1.00 25.00 O ATOM 222 CB GLN A 609 -13.937 8.339 -30.189 1.00 25.00 C ATOM 223 CG GLN A 609 -14.425 7.143 -29.385 1.00 25.00 C ATOM 224 CD GLN A 609 -15.176 7.551 -28.144 1.00 25.00 C ATOM 225 OE1 GLN A 609 -14.728 8.393 -27.381 1.00 25.00 O ATOM 226 NE2 GLN A 609 -16.314 6.953 -27.931 1.00 25.00 N ATOM 0 H GLN A 609 -11.589 7.470 -30.067 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.754 7.284 -32.015 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.328 8.976 -29.548 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -14.795 8.932 -30.505 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -15.071 6.527 -30.011 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -13.572 6.526 -29.103 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -16.655 6.255 -28.592 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -16.864 7.183 -27.103 1.00 25.00 H new ATOM 235 N MET A 610 -13.025 9.085 -33.526 1.00 25.00 N ATOM 236 CA MET A 610 -12.614 10.106 -34.481 1.00 25.00 C ATOM 237 C MET A 610 -13.029 11.512 -34.074 1.00 25.00 C ATOM 238 O MET A 610 -14.155 11.747 -33.631 1.00 25.00 O ATOM 239 CB MET A 610 -13.211 9.801 -35.857 1.00 25.00 C ATOM 240 CG MET A 610 -12.913 8.394 -36.360 1.00 25.00 C ATOM 241 SD MET A 610 -13.371 8.191 -38.099 1.00 25.00 S ATOM 242 CE MET A 610 -15.188 8.202 -38.019 1.00 25.00 C ATOM 0 H MET A 610 -13.557 8.320 -33.941 1.00 25.00 H new ATOM 0 HA MET A 610 -11.525 10.078 -34.509 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.291 9.939 -35.812 1.00 25.00 H new ATOM 0 HB3 MET A 610 -12.827 10.523 -36.577 1.00 25.00 H new ATOM 0 HG2 MET A 610 -11.851 8.181 -36.237 1.00 25.00 H new ATOM 0 HG3 MET A 610 -13.456 7.669 -35.754 1.00 25.00 H new ATOM 0 HE1 MET A 610 -15.597 8.032 -39.015 1.00 25.00 H new ATOM 0 HE2 MET A 610 -15.527 7.413 -37.347 1.00 25.00 H new ATOM 0 HE3 MET A 610 -15.530 9.168 -37.647 1.00 25.00 H new ATOM 252 N GLY A 611 -12.108 12.448 -34.242 1.00 25.00 N ATOM 253 CA GLY A 611 -12.395 13.839 -33.969 1.00 25.00 C ATOM 254 C GLY A 611 -13.070 14.480 -35.156 1.00 25.00 C ATOM 255 O GLY A 611 -12.434 15.162 -35.957 1.00 25.00 O ATOM 0 H GLY A 611 -11.158 12.266 -34.566 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.036 13.919 -33.091 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.471 14.369 -33.738 1.00 25.00 H new ATOM 259 N GLU A 612 -14.370 14.257 -35.257 1.00 25.00 N ATOM 260 CA GLU A 612 -15.205 14.840 -36.311 1.00 25.00 C ATOM 261 C GLU A 612 -15.226 16.362 -36.125 1.00 25.00 C ATOM 262 O GLU A 612 -15.516 17.124 -37.037 1.00 25.00 O ATOM 263 CB GLU A 612 -16.610 14.244 -36.191 1.00 25.00 C ATOM 264 CG GLU A 612 -17.513 14.476 -37.393 1.00 25.00 C ATOM 265 CD GLU A 612 -18.844 13.741 -37.256 1.00 25.00 C ATOM 266 OE1 GLU A 612 -19.109 13.173 -36.169 1.00 25.00 O ATOM 267 OE2 GLU A 612 -19.619 13.722 -38.235 1.00 25.00 O ATOM 0 H GLU A 612 -14.886 13.663 -34.608 1.00 25.00 H new ATOM 0 HA GLU A 612 -14.814 14.618 -37.304 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -16.520 13.170 -36.026 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.092 14.663 -35.308 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -17.698 15.544 -37.507 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -17.005 14.142 -38.298 1.00 25.00 H new ATOM 274 N ASP A 613 -14.871 16.768 -34.914 1.00 25.00 N ATOM 275 CA ASP A 613 -14.749 18.168 -34.512 1.00 25.00 C ATOM 276 C ASP A 613 -13.684 18.898 -35.338 1.00 25.00 C ATOM 277 O ASP A 613 -13.712 20.119 -35.474 1.00 25.00 O ATOM 278 CB ASP A 613 -14.294 18.240 -33.043 1.00 25.00 C ATOM 279 CG ASP A 613 -14.828 17.091 -32.184 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.321 15.946 -32.328 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.729 17.308 -31.351 1.00 25.00 O ATOM 0 H ASP A 613 -14.653 16.116 -34.160 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.722 18.635 -34.663 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.205 18.235 -33.007 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -14.622 19.187 -32.615 1.00 25.00 H new ATOM 286 N GLY A 614 -12.737 18.133 -35.868 1.00 25.00 N ATOM 287 CA GLY A 614 -11.630 18.693 -36.626 1.00 25.00 C ATOM 288 C GLY A 614 -10.494 19.165 -35.734 1.00 25.00 C ATOM 289 O GLY A 614 -10.716 19.649 -34.624 1.00 25.00 O ATOM 0 H GLY A 614 -12.716 17.117 -35.785 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.254 17.943 -37.322 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -11.990 19.530 -37.224 1.00 25.00 H new ATOM 293 N ASN A 615 -9.263 19.009 -36.222 1.00 25.00 N ATOM 294 CA ASN A 615 -8.039 19.435 -35.516 1.00 25.00 C ATOM 295 C ASN A 615 -7.926 18.851 -34.092 1.00 25.00 C ATOM 296 O ASN A 615 -7.206 19.390 -33.240 1.00 25.00 O ATOM 297 CB ASN A 615 -7.990 20.979 -35.486 1.00 25.00 C ATOM 298 CG ASN A 615 -6.595 21.531 -35.677 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.325 22.233 -36.632 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.717 21.226 -34.775 1.00 25.00 N ATOM 0 H ASN A 615 -9.078 18.579 -37.128 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.183 19.042 -36.064 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.640 21.373 -36.267 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.387 21.331 -34.534 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.763 21.578 -34.853 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -5.980 20.634 -33.987 1.00 25.00 H new ATOM 307 N SER A 616 -8.651 17.767 -33.833 1.00 25.00 N ATOM 308 CA SER A 616 -8.720 17.168 -32.507 1.00 25.00 C ATOM 309 C SER A 616 -9.122 15.690 -32.587 1.00 25.00 C ATOM 310 O SER A 616 -9.371 15.192 -33.683 1.00 25.00 O ATOM 311 CB SER A 616 -9.767 17.946 -31.722 1.00 25.00 C ATOM 312 OG SER A 616 -10.986 17.950 -32.423 1.00 25.00 O ATOM 0 H SER A 616 -9.206 17.280 -34.537 1.00 25.00 H new ATOM 0 HA SER A 616 -7.744 17.213 -32.024 1.00 25.00 H new ATOM 0 HB2 SER A 616 -9.905 17.497 -30.738 1.00 25.00 H new ATOM 0 HB3 SER A 616 -9.427 18.969 -31.560 1.00 25.00 H new ATOM 0 HG SER A 616 -10.930 18.579 -33.173 1.00 25.00 H new ATOM 318 N ILE A 617 -9.178 15.001 -31.445 1.00 25.00 N ATOM 319 CA ILE A 617 -9.614 13.587 -31.368 1.00 25.00 C ATOM 320 C ILE A 617 -9.974 13.223 -29.916 1.00 25.00 C ATOM 321 O ILE A 617 -9.493 13.877 -28.982 1.00 25.00 O ATOM 322 CB ILE A 617 -8.514 12.612 -31.916 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.096 11.194 -32.097 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.262 12.590 -31.005 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.542 10.420 -33.259 1.00 25.00 C ATOM 0 H ILE A 617 -8.924 15.400 -30.541 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.498 13.475 -31.997 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.194 12.982 -32.890 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -8.917 10.626 -31.184 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.176 11.274 -32.216 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.523 11.903 -31.418 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.835 13.591 -30.949 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.545 12.260 -30.005 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.014 9.438 -33.300 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.744 10.959 -34.185 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.466 10.300 -33.136 1.00 25.00 H new ATOM 337 N LYS A 618 -10.801 12.198 -29.718 1.00 25.00 N ATOM 338 CA LYS A 618 -11.197 11.761 -28.377 1.00 25.00 C ATOM 339 C LYS A 618 -10.584 10.378 -28.137 1.00 25.00 C ATOM 340 O LYS A 618 -10.747 9.472 -28.953 1.00 25.00 O ATOM 341 CB LYS A 618 -12.733 11.663 -28.240 1.00 25.00 C ATOM 342 CG LYS A 618 -13.558 12.855 -28.780 1.00 25.00 C ATOM 343 CD LYS A 618 -13.942 12.686 -30.271 1.00 25.00 C ATOM 344 CE LYS A 618 -15.412 13.027 -30.554 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.735 14.485 -30.384 1.00 25.00 N ATOM 0 H LYS A 618 -11.213 11.650 -30.473 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.844 12.489 -27.647 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.063 10.760 -28.754 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -12.973 11.534 -27.184 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.465 12.964 -28.185 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -12.985 13.774 -28.658 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.303 13.325 -30.880 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -13.748 11.658 -30.576 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.657 12.726 -31.573 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -16.047 12.443 -29.888 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.724 14.655 -30.656 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.597 14.758 -29.390 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -15.107 15.052 -30.989 1.00 25.00 H new ATOM 359 N VAL A 619 -9.893 10.208 -27.023 1.00 25.00 N ATOM 360 CA VAL A 619 -9.303 8.911 -26.667 1.00 25.00 C ATOM 361 C VAL A 619 -9.831 8.632 -25.259 1.00 25.00 C ATOM 362 O VAL A 619 -9.942 9.549 -24.444 1.00 25.00 O ATOM 363 CB VAL A 619 -7.715 8.905 -26.801 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.168 10.323 -27.100 1.00 25.00 C ATOM 365 CG2 VAL A 619 -7.026 8.317 -25.558 1.00 25.00 C ATOM 0 H VAL A 619 -9.722 10.948 -26.342 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.590 8.111 -27.349 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.479 8.257 -27.645 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -6.082 10.284 -27.185 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.593 10.687 -28.036 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.444 10.998 -26.290 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.945 8.335 -25.698 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.288 8.910 -24.682 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.356 7.288 -25.412 1.00 25.00 H new ATOM 375 N ASN A 620 -10.195 7.387 -24.984 1.00 25.00 N ATOM 376 CA ASN A 620 -10.802 7.038 -23.697 1.00 25.00 C ATOM 377 C ASN A 620 -9.737 6.946 -22.620 1.00 25.00 C ATOM 378 O ASN A 620 -8.571 6.696 -22.897 1.00 25.00 O ATOM 379 CB ASN A 620 -11.580 5.722 -23.790 1.00 25.00 C ATOM 380 CG ASN A 620 -13.000 5.925 -24.273 1.00 25.00 C ATOM 381 OD1 ASN A 620 -13.944 5.573 -23.598 1.00 25.00 O ATOM 382 ND2 ASN A 620 -13.152 6.504 -25.436 1.00 25.00 N ATOM 0 H ASN A 620 -10.084 6.603 -25.627 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.506 7.827 -23.432 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -11.062 5.044 -24.468 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -11.597 5.243 -22.811 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -14.089 6.673 -25.803 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.334 6.787 -25.976 1.00 25.00 H new ATOM 389 N LEU A 621 -10.148 7.193 -21.391 1.00 25.00 N ATOM 390 CA LEU A 621 -9.254 7.173 -20.252 1.00 25.00 C ATOM 391 C LEU A 621 -9.734 6.236 -19.152 1.00 25.00 C ATOM 392 O LEU A 621 -10.923 5.976 -19.016 1.00 25.00 O ATOM 393 CB LEU A 621 -9.037 8.590 -19.756 1.00 25.00 C ATOM 394 CG LEU A 621 -7.646 8.940 -19.217 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.512 8.663 -20.217 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.680 10.432 -18.881 1.00 25.00 C ATOM 0 H LEU A 621 -11.115 7.414 -21.155 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.294 6.769 -20.572 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.263 9.273 -20.575 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.764 8.787 -18.968 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.433 8.313 -18.351 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.557 8.934 -19.768 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.504 7.604 -20.474 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.670 9.254 -21.119 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.710 10.739 -18.490 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.906 11.003 -19.782 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.449 10.619 -18.131 1.00 25.00 H new ATOM 408 N ILE A 622 -8.796 5.722 -18.379 1.00 25.00 N ATOM 409 CA ILE A 622 -9.113 4.873 -17.234 1.00 25.00 C ATOM 410 C ILE A 622 -10.014 5.664 -16.277 1.00 25.00 C ATOM 411 O ILE A 622 -9.737 6.814 -15.981 1.00 25.00 O ATOM 412 CB ILE A 622 -7.806 4.506 -16.489 1.00 25.00 C ATOM 413 CG1 ILE A 622 -6.932 3.590 -17.342 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.075 3.829 -15.162 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.522 4.039 -17.406 1.00 25.00 C ATOM 0 H ILE A 622 -7.798 5.877 -18.521 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.613 3.965 -17.573 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.285 5.445 -16.300 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -6.969 2.579 -16.936 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.340 3.543 -18.352 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.129 3.591 -14.677 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.652 4.497 -14.523 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.638 2.911 -15.329 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -4.948 3.350 -18.026 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.478 5.039 -17.838 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.101 4.060 -16.401 1.00 25.00 H new ATOM 427 N LYS A 623 -11.092 5.050 -15.804 1.00 25.00 N ATOM 428 CA LYS A 623 -11.999 5.708 -14.863 1.00 25.00 C ATOM 429 C LYS A 623 -12.180 4.962 -13.537 1.00 25.00 C ATOM 430 O LYS A 623 -13.095 5.254 -12.776 1.00 25.00 O ATOM 431 CB LYS A 623 -13.334 5.972 -15.559 1.00 25.00 C ATOM 432 CG LYS A 623 -13.999 4.733 -16.168 1.00 25.00 C ATOM 433 CD LYS A 623 -15.183 4.251 -15.363 1.00 25.00 C ATOM 434 CE LYS A 623 -16.449 4.952 -15.804 1.00 25.00 C ATOM 435 NZ LYS A 623 -16.606 6.338 -15.233 1.00 25.00 N ATOM 0 H LYS A 623 -11.362 4.099 -16.054 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.539 6.653 -14.575 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.020 6.418 -14.840 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.177 6.707 -16.348 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.324 4.962 -17.183 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -13.265 3.931 -16.242 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -15.297 3.174 -15.483 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.009 4.437 -14.303 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -16.459 5.014 -16.892 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -17.308 4.349 -15.511 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -17.517 6.737 -15.536 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -16.577 6.291 -14.194 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -15.832 6.944 -15.574 1.00 25.00 H new ATOM 449 N GLN A 624 -11.314 3.993 -13.269 1.00 25.00 N ATOM 450 CA GLN A 624 -11.394 3.185 -12.045 1.00 25.00 C ATOM 451 C GLN A 624 -9.993 2.770 -11.593 1.00 25.00 C ATOM 452 O GLN A 624 -9.014 3.039 -12.284 1.00 25.00 O ATOM 453 CB GLN A 624 -12.284 1.944 -12.262 1.00 25.00 C ATOM 454 CG GLN A 624 -11.756 0.925 -13.278 1.00 25.00 C ATOM 455 CD GLN A 624 -11.958 1.365 -14.711 1.00 25.00 C ATOM 456 OE1 GLN A 624 -13.070 1.482 -15.191 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.881 1.618 -15.395 1.00 25.00 N ATOM 0 H GLN A 624 -10.540 3.741 -13.884 1.00 25.00 H new ATOM 0 HA GLN A 624 -11.848 3.792 -11.262 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.417 1.441 -11.304 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.270 2.277 -12.586 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.693 0.759 -13.100 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.258 -0.030 -13.122 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.964 1.509 -14.961 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.953 1.925 -16.365 1.00 25.00 H new ATOM 466 N ASP A 625 -9.891 2.110 -10.451 1.00 25.00 N ATOM 467 CA ASP A 625 -8.610 1.616 -9.952 1.00 25.00 C ATOM 468 C ASP A 625 -8.265 0.295 -10.652 1.00 25.00 C ATOM 469 O ASP A 625 -8.743 -0.771 -10.311 1.00 25.00 O ATOM 470 CB ASP A 625 -8.623 1.462 -8.417 1.00 25.00 C ATOM 471 CG ASP A 625 -9.759 0.574 -7.903 1.00 25.00 C ATOM 472 OD1 ASP A 625 -10.940 0.833 -8.243 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.464 -0.364 -7.136 1.00 25.00 O ATOM 0 H ASP A 625 -10.684 1.901 -9.845 1.00 25.00 H new ATOM 0 HA ASP A 625 -7.835 2.347 -10.183 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.670 1.043 -8.094 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.709 2.448 -7.961 1.00 25.00 H new ATOM 478 N ASP A 626 -7.419 0.399 -11.664 1.00 25.00 N ATOM 479 CA ASP A 626 -7.011 -0.760 -12.467 1.00 25.00 C ATOM 480 C ASP A 626 -6.051 -1.621 -11.702 1.00 25.00 C ATOM 481 O ASP A 626 -5.877 -2.818 -11.967 1.00 25.00 O ATOM 482 CB ASP A 626 -6.202 -0.300 -13.663 1.00 25.00 C ATOM 483 CG ASP A 626 -7.058 0.282 -14.782 1.00 25.00 C ATOM 484 OD1 ASP A 626 -6.518 0.413 -15.895 1.00 25.00 O ATOM 485 OD2 ASP A 626 -8.248 0.588 -14.581 1.00 25.00 O ATOM 0 H ASP A 626 -6.994 1.279 -11.957 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.924 -1.289 -12.740 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.481 0.451 -13.338 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.631 -1.143 -14.053 1.00 25.00 H new ATOM 490 N GLY A 627 -5.381 -0.966 -10.777 1.00 25.00 N ATOM 491 CA GLY A 627 -4.307 -1.588 -10.056 1.00 25.00 C ATOM 492 C GLY A 627 -4.628 -1.864 -8.619 1.00 25.00 C ATOM 493 O GLY A 627 -5.623 -2.456 -8.252 1.00 25.00 O ATOM 0 H GLY A 627 -5.568 0.001 -10.511 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -4.046 -2.525 -10.547 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.428 -0.946 -10.106 1.00 25.00 H new ATOM 497 N GLY A 628 -3.704 -1.412 -7.805 1.00 25.00 N ATOM 498 CA GLY A 628 -3.796 -1.613 -6.359 1.00 25.00 C ATOM 499 C GLY A 628 -4.176 -0.351 -5.617 1.00 25.00 C ATOM 500 O GLY A 628 -4.459 -0.359 -4.426 1.00 25.00 O ATOM 0 H GLY A 628 -2.875 -0.901 -8.109 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.533 -2.388 -6.150 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -2.838 -1.975 -5.985 1.00 25.00 H new ATOM 504 N SER A 629 -4.161 0.751 -6.343 1.00 25.00 N ATOM 505 CA SER A 629 -4.548 2.053 -5.820 1.00 25.00 C ATOM 506 C SER A 629 -5.081 2.808 -7.021 1.00 25.00 C ATOM 507 O SER A 629 -4.693 2.490 -8.161 1.00 25.00 O ATOM 508 CB SER A 629 -3.344 2.789 -5.226 1.00 25.00 C ATOM 509 OG SER A 629 -2.834 2.086 -4.111 1.00 25.00 O ATOM 0 H SER A 629 -3.877 0.770 -7.323 1.00 25.00 H new ATOM 0 HA SER A 629 -5.282 1.965 -5.019 1.00 25.00 H new ATOM 0 HB2 SER A 629 -2.566 2.896 -5.982 1.00 25.00 H new ATOM 0 HB3 SER A 629 -3.637 3.795 -4.926 1.00 25.00 H new ATOM 0 HG SER A 629 -2.064 2.569 -3.744 1.00 25.00 H new ATOM 515 N PRO A 630 -5.952 3.807 -6.805 1.00 25.00 N ATOM 516 CA PRO A 630 -6.440 4.532 -7.979 1.00 25.00 C ATOM 517 C PRO A 630 -5.349 5.344 -8.654 1.00 25.00 C ATOM 518 O PRO A 630 -4.292 5.632 -8.068 1.00 25.00 O ATOM 519 CB PRO A 630 -7.528 5.438 -7.395 1.00 25.00 C ATOM 520 CG PRO A 630 -7.087 5.680 -6.006 1.00 25.00 C ATOM 521 CD PRO A 630 -6.539 4.349 -5.564 1.00 25.00 C ATOM 0 HA PRO A 630 -6.802 3.864 -8.761 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.614 6.370 -7.954 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.506 4.957 -7.425 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.328 6.461 -5.958 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.915 6.001 -5.374 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.792 4.460 -4.778 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.321 3.700 -5.170 1.00 25.00 H new ATOM 529 N ILE A 631 -5.611 5.701 -9.899 1.00 25.00 N ATOM 530 CA ILE A 631 -4.694 6.513 -10.682 1.00 25.00 C ATOM 531 C ILE A 631 -4.688 7.887 -10.000 1.00 25.00 C ATOM 532 O ILE A 631 -5.682 8.280 -9.406 1.00 25.00 O ATOM 533 CB ILE A 631 -5.153 6.604 -12.189 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.789 5.319 -12.985 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.450 7.761 -12.895 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.438 4.039 -12.549 1.00 25.00 C ATOM 0 H ILE A 631 -6.462 5.438 -10.395 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.693 6.082 -10.713 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.234 6.743 -12.168 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.041 5.487 -14.032 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.708 5.185 -12.935 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -4.779 7.808 -13.933 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -4.697 8.697 -12.394 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.372 7.605 -12.863 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -5.098 3.223 -13.187 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -5.167 3.828 -11.514 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.521 4.135 -12.629 1.00 25.00 H new ATOM 548 N ARG A 632 -3.573 8.603 -10.077 1.00 25.00 N ATOM 549 CA ARG A 632 -3.475 9.961 -9.553 1.00 25.00 C ATOM 550 C ARG A 632 -3.566 10.944 -10.721 1.00 25.00 C ATOM 551 O ARG A 632 -4.350 11.893 -10.674 1.00 25.00 O ATOM 552 CB ARG A 632 -2.141 10.173 -8.828 1.00 25.00 C ATOM 553 CG ARG A 632 -2.141 9.796 -7.337 1.00 25.00 C ATOM 554 CD ARG A 632 -0.860 10.295 -6.663 1.00 25.00 C ATOM 555 NE ARG A 632 -0.735 11.763 -6.724 1.00 25.00 N ATOM 556 CZ ARG A 632 0.240 12.475 -6.172 1.00 25.00 C ATOM 557 NH1 ARG A 632 1.211 11.923 -5.485 1.00 25.00 N ATOM 558 NH2 ARG A 632 0.240 13.769 -6.324 1.00 25.00 N ATOM 0 H ARG A 632 -2.712 8.260 -10.504 1.00 25.00 H new ATOM 0 HA ARG A 632 -4.286 10.124 -8.844 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.373 9.588 -9.335 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.857 11.221 -8.922 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -3.012 10.230 -6.845 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -2.220 8.714 -7.228 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -0.851 9.974 -5.621 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.004 9.838 -7.145 1.00 25.00 H new ATOM 0 HE ARG A 632 -1.457 12.273 -7.232 1.00 25.00 H new ATOM 0 HH11 ARG A 632 1.235 10.911 -5.359 1.00 25.00 H new ATOM 0 HH12 ARG A 632 1.942 12.506 -5.077 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -0.502 14.220 -6.860 1.00 25.00 H new ATOM 0 HH22 ARG A 632 0.981 14.332 -5.907 1.00 25.00 H new ATOM 572 N HIS A 633 -2.760 10.720 -11.754 1.00 25.00 N ATOM 573 CA HIS A 633 -2.701 11.618 -12.914 1.00 25.00 C ATOM 574 C HIS A 633 -2.597 10.836 -14.226 1.00 25.00 C ATOM 575 O HIS A 633 -2.285 9.648 -14.225 1.00 25.00 O ATOM 576 CB HIS A 633 -1.457 12.523 -12.837 1.00 25.00 C ATOM 577 CG HIS A 633 -1.112 12.989 -11.454 1.00 25.00 C ATOM 578 ND1 HIS A 633 0.101 12.768 -10.855 1.00 25.00 N ATOM 579 CD2 HIS A 633 -1.835 13.691 -10.535 1.00 25.00 C ATOM 580 CE1 HIS A 633 0.082 13.315 -9.651 1.00 25.00 C ATOM 581 NE2 HIS A 633 -1.080 13.884 -9.390 1.00 25.00 N ATOM 0 H HIS A 633 -2.132 9.919 -11.816 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.619 12.206 -12.895 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.604 11.983 -13.248 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.618 13.395 -13.471 1.00 25.00 H new ATOM 0 HD1 HIS A 633 0.887 12.266 -11.269 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -2.846 14.044 -10.679 1.00 25.00 H new ATOM 0 HE1 HIS A 633 0.916 13.298 -8.965 1.00 25.00 H new ATOM 589 N TYR A 634 -2.826 11.515 -15.339 1.00 25.00 N ATOM 590 CA TYR A 634 -2.644 10.940 -16.670 1.00 25.00 C ATOM 591 C TYR A 634 -1.716 11.839 -17.448 1.00 25.00 C ATOM 592 O TYR A 634 -1.738 13.057 -17.262 1.00 25.00 O ATOM 593 CB TYR A 634 -3.970 10.843 -17.413 1.00 25.00 C ATOM 594 CG TYR A 634 -4.924 9.912 -16.738 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.001 10.407 -15.981 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.753 8.520 -16.838 1.00 25.00 C ATOM 597 CE1 TYR A 634 -6.884 9.522 -15.322 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.625 7.642 -16.171 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.674 8.155 -15.405 1.00 25.00 C ATOM 600 OH TYR A 634 -7.485 7.304 -14.718 1.00 25.00 O ATOM 0 H TYR A 634 -3.145 12.484 -15.349 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.232 9.936 -16.569 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.419 11.834 -17.484 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.790 10.501 -18.432 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.155 11.473 -15.903 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.944 8.122 -17.433 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.719 9.909 -14.756 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.484 6.574 -16.251 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.341 7.217 -15.188 1.00 25.00 H new ATOM 610 N LEU A 635 -0.902 11.232 -18.298 1.00 25.00 N ATOM 611 CA LEU A 635 0.065 11.961 -19.108 1.00 25.00 C ATOM 612 C LEU A 635 -0.109 11.512 -20.558 1.00 25.00 C ATOM 613 O LEU A 635 -0.124 10.310 -20.838 1.00 25.00 O ATOM 614 CB LEU A 635 1.502 11.665 -18.633 1.00 25.00 C ATOM 615 CG LEU A 635 1.861 11.946 -17.153 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.651 10.708 -16.254 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.323 12.368 -17.052 1.00 25.00 C ATOM 0 H LEU A 635 -0.892 10.223 -18.446 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.103 13.034 -19.015 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.707 10.613 -18.830 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.184 12.245 -19.256 1.00 25.00 H new ATOM 0 HG LEU A 635 1.198 12.739 -16.808 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.916 10.956 -15.226 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.606 10.401 -16.295 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.283 9.892 -16.605 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.574 12.565 -16.010 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.959 11.569 -17.433 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.482 13.271 -17.641 1.00 25.00 H new ATOM 629 N VAL A 636 -0.253 12.463 -21.474 1.00 25.00 N ATOM 630 CA VAL A 636 -0.415 12.147 -22.903 1.00 25.00 C ATOM 631 C VAL A 636 0.645 12.865 -23.732 1.00 25.00 C ATOM 632 O VAL A 636 0.882 14.050 -23.529 1.00 25.00 O ATOM 633 CB VAL A 636 -1.818 12.567 -23.427 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.089 11.943 -24.800 1.00 25.00 C ATOM 635 CG2 VAL A 636 -2.915 12.150 -22.432 1.00 25.00 C ATOM 0 H VAL A 636 -0.262 13.460 -21.261 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.305 11.067 -23.005 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.832 13.652 -23.527 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.075 12.248 -25.150 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.332 12.280 -25.508 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.053 10.857 -24.719 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.889 12.453 -22.816 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -2.896 11.068 -22.302 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.738 12.634 -21.471 1.00 25.00 H new ATOM 645 N ARG A 637 1.273 12.150 -24.656 1.00 25.00 N ATOM 646 CA ARG A 637 2.337 12.694 -25.505 1.00 25.00 C ATOM 647 C ARG A 637 1.952 12.408 -26.955 1.00 25.00 C ATOM 648 O ARG A 637 1.595 11.284 -27.264 1.00 25.00 O ATOM 649 CB ARG A 637 3.650 11.983 -25.150 1.00 25.00 C ATOM 650 CG ARG A 637 4.892 12.644 -25.699 1.00 25.00 C ATOM 651 CD ARG A 637 5.997 11.628 -25.919 1.00 25.00 C ATOM 652 NE ARG A 637 7.220 12.272 -26.429 1.00 25.00 N ATOM 653 CZ ARG A 637 8.144 11.680 -27.178 1.00 25.00 C ATOM 654 NH1 ARG A 637 8.047 10.429 -27.559 1.00 25.00 N ATOM 655 NH2 ARG A 637 9.188 12.364 -27.555 1.00 25.00 N ATOM 0 H ARG A 637 1.061 11.170 -24.843 1.00 25.00 H new ATOM 0 HA ARG A 637 2.466 13.767 -25.359 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.735 11.925 -24.065 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.605 10.959 -25.521 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.658 13.141 -26.640 1.00 25.00 H new ATOM 0 HG3 ARG A 637 5.234 13.414 -25.008 1.00 25.00 H new ATOM 0 HD2 ARG A 637 6.216 11.117 -24.982 1.00 25.00 H new ATOM 0 HD3 ARG A 637 5.661 10.869 -26.625 1.00 25.00 H new ATOM 0 HE ARG A 637 7.369 13.252 -26.188 1.00 25.00 H new ATOM 0 HH11 ARG A 637 7.239 9.872 -27.280 1.00 25.00 H new ATOM 0 HH12 ARG A 637 8.779 10.013 -28.134 1.00 25.00 H new ATOM 0 HH21 ARG A 637 9.287 13.340 -27.275 1.00 25.00 H new ATOM 0 HH22 ARG A 637 9.906 11.923 -28.130 1.00 25.00 H new ATOM 669 N TYR A 638 2.002 13.390 -27.841 1.00 25.00 N ATOM 670 CA TYR A 638 1.594 13.165 -29.239 1.00 25.00 C ATOM 671 C TYR A 638 2.373 14.040 -30.207 1.00 25.00 C ATOM 672 O TYR A 638 2.852 15.102 -29.825 1.00 25.00 O ATOM 673 CB TYR A 638 0.083 13.401 -29.417 1.00 25.00 C ATOM 674 CG TYR A 638 -0.397 14.805 -29.105 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.837 15.662 -30.138 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.431 15.286 -27.780 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.309 16.971 -29.844 1.00 25.00 C ATOM 678 CE2 TYR A 638 -0.881 16.592 -27.496 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.322 17.418 -28.524 1.00 25.00 C ATOM 680 OH TYR A 638 -1.771 18.676 -28.226 1.00 25.00 O ATOM 0 H TYR A 638 2.314 14.339 -27.633 1.00 25.00 H new ATOM 0 HA TYR A 638 1.821 12.124 -29.470 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.186 13.164 -30.446 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.455 12.701 -28.778 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.815 15.320 -31.162 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.108 14.646 -26.972 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.655 17.615 -30.639 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -0.883 16.951 -26.478 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.599 18.853 -28.719 1.00 25.00 H new ATOM 690 N ARG A 639 2.501 13.577 -31.447 1.00 25.00 N ATOM 691 CA ARG A 639 3.275 14.263 -32.494 1.00 25.00 C ATOM 692 C ARG A 639 2.595 13.983 -33.817 1.00 25.00 C ATOM 693 O ARG A 639 1.940 12.962 -33.957 1.00 25.00 O ATOM 694 CB ARG A 639 4.721 13.732 -32.478 1.00 25.00 C ATOM 695 CG ARG A 639 5.569 13.879 -33.742 1.00 25.00 C ATOM 696 CD ARG A 639 5.504 12.626 -34.601 1.00 25.00 C ATOM 697 NE ARG A 639 5.779 12.935 -36.010 1.00 25.00 N ATOM 698 CZ ARG A 639 5.938 12.039 -36.975 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.858 10.749 -36.765 1.00 25.00 N ATOM 700 NH2 ARG A 639 6.188 12.461 -38.183 1.00 25.00 N ATOM 0 H ARG A 639 2.069 12.708 -31.763 1.00 25.00 H new ATOM 0 HA ARG A 639 3.314 15.340 -32.329 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.248 14.232 -31.666 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.682 12.672 -32.227 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.220 14.736 -34.318 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.604 14.080 -33.466 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.227 11.895 -34.238 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.518 12.171 -34.511 1.00 25.00 H new ATOM 0 HE ARG A 639 5.854 13.919 -36.268 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.666 10.396 -35.828 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.988 10.097 -37.539 1.00 25.00 H new ATOM 0 HH21 ARG A 639 6.258 13.461 -38.370 1.00 25.00 H new ATOM 0 HH22 ARG A 639 6.314 11.791 -38.941 1.00 25.00 H new ATOM 714 N ALA A 640 2.761 14.875 -34.780 1.00 25.00 N ATOM 715 CA ALA A 640 2.159 14.721 -36.096 1.00 25.00 C ATOM 716 C ALA A 640 3.208 14.951 -37.174 1.00 25.00 C ATOM 717 O ALA A 640 4.342 15.308 -36.871 1.00 25.00 O ATOM 718 CB ALA A 640 1.019 15.694 -36.252 1.00 25.00 C ATOM 0 H ALA A 640 3.315 15.725 -34.673 1.00 25.00 H new ATOM 0 HA ALA A 640 1.770 13.708 -36.200 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.571 15.575 -37.239 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.267 15.500 -35.487 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.392 16.712 -36.143 1.00 25.00 H new ATOM 724 N LEU A 641 2.830 14.758 -38.426 1.00 25.00 N ATOM 725 CA LEU A 641 3.749 14.972 -39.540 1.00 25.00 C ATOM 726 C LEU A 641 4.272 16.411 -39.542 1.00 25.00 C ATOM 727 O LEU A 641 5.461 16.637 -39.737 1.00 25.00 O ATOM 728 CB LEU A 641 3.043 14.667 -40.869 1.00 25.00 C ATOM 729 CG LEU A 641 3.429 13.364 -41.601 1.00 25.00 C ATOM 730 CD1 LEU A 641 4.867 13.440 -42.123 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.266 12.120 -40.717 1.00 25.00 C ATOM 0 H LEU A 641 1.896 14.454 -38.700 1.00 25.00 H new ATOM 0 HA LEU A 641 4.597 14.298 -39.422 1.00 25.00 H new ATOM 0 HB2 LEU A 641 1.970 14.641 -40.681 1.00 25.00 H new ATOM 0 HB3 LEU A 641 3.228 15.500 -41.547 1.00 25.00 H new ATOM 0 HG LEU A 641 2.740 13.266 -42.440 1.00 25.00 H new ATOM 0 HD11 LEU A 641 5.118 12.511 -42.635 1.00 25.00 H new ATOM 0 HD12 LEU A 641 4.958 14.274 -42.819 1.00 25.00 H new ATOM 0 HD13 LEU A 641 5.550 13.589 -41.287 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.551 11.232 -41.282 1.00 25.00 H new ATOM 0 HD22 LEU A 641 3.905 12.212 -39.838 1.00 25.00 H new ATOM 0 HD23 LEU A 641 2.226 12.031 -40.402 1.00 25.00 H new ATOM 743 N SER A 642 3.380 17.366 -39.318 1.00 25.00 N ATOM 744 CA SER A 642 3.730 18.788 -39.274 1.00 25.00 C ATOM 745 C SER A 642 3.764 19.373 -37.852 1.00 25.00 C ATOM 746 O SER A 642 3.908 20.585 -37.688 1.00 25.00 O ATOM 747 CB SER A 642 2.727 19.579 -40.120 1.00 25.00 C ATOM 748 OG SER A 642 3.173 20.907 -40.333 1.00 25.00 O ATOM 0 H SER A 642 2.389 17.181 -39.161 1.00 25.00 H new ATOM 0 HA SER A 642 4.741 18.874 -39.671 1.00 25.00 H new ATOM 0 HB2 SER A 642 2.584 19.082 -41.080 1.00 25.00 H new ATOM 0 HB3 SER A 642 1.758 19.593 -39.621 1.00 25.00 H new ATOM 0 HG SER A 642 3.574 21.254 -39.509 1.00 25.00 H new ATOM 754 N SER A 643 3.628 18.538 -36.825 1.00 25.00 N ATOM 755 CA SER A 643 3.583 19.040 -35.440 1.00 25.00 C ATOM 756 C SER A 643 4.523 18.317 -34.480 1.00 25.00 C ATOM 757 O SER A 643 4.740 17.119 -34.572 1.00 25.00 O ATOM 758 CB SER A 643 2.161 18.954 -34.878 1.00 25.00 C ATOM 759 OG SER A 643 1.255 19.771 -35.601 1.00 25.00 O ATOM 0 H SER A 643 3.548 17.525 -36.915 1.00 25.00 H new ATOM 0 HA SER A 643 3.918 20.075 -35.507 1.00 25.00 H new ATOM 0 HB2 SER A 643 1.821 17.919 -34.909 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.166 19.256 -33.831 1.00 25.00 H new ATOM 0 HG SER A 643 0.842 19.246 -36.318 1.00 25.00 H new ATOM 765 N GLU A 644 5.063 19.088 -33.548 1.00 25.00 N ATOM 766 CA GLU A 644 6.012 18.611 -32.536 1.00 25.00 C ATOM 767 C GLU A 644 5.460 17.560 -31.564 1.00 25.00 C ATOM 768 O GLU A 644 4.244 17.403 -31.415 1.00 25.00 O ATOM 769 CB GLU A 644 6.433 19.823 -31.690 1.00 25.00 C ATOM 770 CG GLU A 644 5.285 20.321 -30.789 1.00 25.00 C ATOM 771 CD GLU A 644 5.564 21.630 -30.092 1.00 25.00 C ATOM 772 OE1 GLU A 644 4.580 22.225 -29.593 1.00 25.00 O ATOM 773 OE2 GLU A 644 6.728 22.063 -30.026 1.00 25.00 O ATOM 0 H GLU A 644 4.854 20.083 -33.467 1.00 25.00 H new ATOM 0 HA GLU A 644 6.825 18.135 -33.084 1.00 25.00 H new ATOM 0 HB2 GLU A 644 7.290 19.554 -31.072 1.00 25.00 H new ATOM 0 HB3 GLU A 644 6.755 20.631 -32.347 1.00 25.00 H new ATOM 0 HG2 GLU A 644 4.385 20.430 -31.394 1.00 25.00 H new ATOM 0 HG3 GLU A 644 5.073 19.561 -30.037 1.00 25.00 H new ATOM 780 N TRP A 645 6.374 16.882 -30.874 1.00 25.00 N ATOM 781 CA TRP A 645 6.029 15.999 -29.760 1.00 25.00 C ATOM 782 C TRP A 645 5.625 16.846 -28.559 1.00 25.00 C ATOM 783 O TRP A 645 6.487 17.327 -27.823 1.00 25.00 O ATOM 784 CB TRP A 645 7.232 15.141 -29.335 1.00 25.00 C ATOM 785 CG TRP A 645 7.399 13.853 -30.093 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.371 13.540 -30.988 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.564 12.679 -30.011 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.225 12.269 -31.466 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.125 11.701 -30.885 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.388 12.361 -29.303 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.554 10.425 -31.052 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.812 11.074 -29.464 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.407 10.120 -30.338 1.00 25.00 C ATOM 0 H TRP A 645 7.374 16.928 -31.070 1.00 25.00 H new ATOM 0 HA TRP A 645 5.216 15.350 -30.087 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.140 15.733 -29.452 1.00 25.00 H new ATOM 0 HB3 TRP A 645 7.137 14.910 -28.274 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.162 14.213 -31.285 1.00 25.00 H new ATOM 0 HE1 TRP A 645 8.837 11.817 -32.146 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.931 13.087 -28.647 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 6.999 9.702 -31.720 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.916 10.816 -28.920 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.957 9.144 -30.446 1.00 25.00 H new ATOM 804 N LYS A 646 4.329 17.016 -28.342 1.00 25.00 N ATOM 805 CA LYS A 646 3.855 17.739 -27.159 1.00 25.00 C ATOM 806 C LYS A 646 4.281 16.864 -25.985 1.00 25.00 C ATOM 807 O LYS A 646 4.074 15.652 -26.026 1.00 25.00 O ATOM 808 CB LYS A 646 2.335 17.919 -27.169 1.00 25.00 C ATOM 809 CG LYS A 646 1.864 19.202 -27.857 1.00 25.00 C ATOM 810 CD LYS A 646 1.889 19.097 -29.376 1.00 25.00 C ATOM 811 CE LYS A 646 1.504 20.422 -30.008 1.00 25.00 C ATOM 812 NZ LYS A 646 1.453 20.304 -31.496 1.00 25.00 N ATOM 0 H LYS A 646 3.592 16.671 -28.957 1.00 25.00 H new ATOM 0 HA LYS A 646 4.269 18.746 -27.112 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.882 17.063 -27.669 1.00 25.00 H new ATOM 0 HB3 LYS A 646 1.972 17.916 -26.141 1.00 25.00 H new ATOM 0 HG2 LYS A 646 0.851 19.434 -27.530 1.00 25.00 H new ATOM 0 HG3 LYS A 646 2.498 20.031 -27.544 1.00 25.00 H new ATOM 0 HD2 LYS A 646 2.885 18.804 -29.710 1.00 25.00 H new ATOM 0 HD3 LYS A 646 1.201 18.318 -29.704 1.00 25.00 H new ATOM 0 HE2 LYS A 646 0.533 20.742 -29.630 1.00 25.00 H new ATOM 0 HE3 LYS A 646 2.225 21.189 -29.724 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 1.824 21.175 -31.926 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 2.030 19.494 -31.800 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 0.469 20.161 -31.799 1.00 25.00 H new ATOM 826 N PRO A 647 4.901 17.450 -24.945 1.00 25.00 N ATOM 827 CA PRO A 647 5.442 16.585 -23.888 1.00 25.00 C ATOM 828 C PRO A 647 4.420 15.919 -22.968 1.00 25.00 C ATOM 829 O PRO A 647 4.538 14.730 -22.683 1.00 25.00 O ATOM 830 CB PRO A 647 6.346 17.541 -23.102 1.00 25.00 C ATOM 831 CG PRO A 647 5.715 18.881 -23.275 1.00 25.00 C ATOM 832 CD PRO A 647 5.190 18.876 -24.690 1.00 25.00 C ATOM 0 HA PRO A 647 5.940 15.721 -24.328 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.400 17.261 -22.050 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.365 17.530 -23.488 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.912 19.037 -22.555 1.00 25.00 H new ATOM 0 HG3 PRO A 647 6.438 19.682 -23.124 1.00 25.00 H new ATOM 0 HD2 PRO A 647 4.295 19.491 -24.788 1.00 25.00 H new ATOM 0 HD3 PRO A 647 5.925 19.268 -25.392 1.00 25.00 H new ATOM 840 N GLU A 648 3.435 16.669 -22.495 1.00 25.00 N ATOM 841 CA GLU A 648 2.440 16.137 -21.573 1.00 25.00 C ATOM 842 C GLU A 648 1.135 16.912 -21.661 1.00 25.00 C ATOM 843 O GLU A 648 1.133 18.141 -21.658 1.00 25.00 O ATOM 844 CB GLU A 648 2.949 16.264 -20.126 1.00 25.00 C ATOM 845 CG GLU A 648 2.018 15.634 -19.081 1.00 25.00 C ATOM 846 CD GLU A 648 2.295 16.133 -17.674 1.00 25.00 C ATOM 847 OE1 GLU A 648 1.367 16.715 -17.062 1.00 25.00 O ATOM 848 OE2 GLU A 648 3.428 15.957 -17.182 1.00 25.00 O ATOM 0 H GLU A 648 3.303 17.651 -22.735 1.00 25.00 H new ATOM 0 HA GLU A 648 2.271 15.095 -21.845 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.930 15.795 -20.054 1.00 25.00 H new ATOM 0 HB3 GLU A 648 3.083 17.320 -19.890 1.00 25.00 H new ATOM 0 HG2 GLU A 648 0.983 15.854 -19.343 1.00 25.00 H new ATOM 0 HG3 GLU A 648 2.130 14.550 -19.107 1.00 25.00 H new ATOM 855 N ILE A 649 0.027 16.188 -21.693 1.00 25.00 N ATOM 856 CA ILE A 649 -1.281 16.778 -21.487 1.00 25.00 C ATOM 857 C ILE A 649 -1.716 16.170 -20.164 1.00 25.00 C ATOM 858 O ILE A 649 -1.920 14.961 -20.057 1.00 25.00 O ATOM 859 CB ILE A 649 -2.295 16.441 -22.608 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.752 16.889 -23.979 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.668 17.090 -22.313 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.492 18.408 -24.137 1.00 25.00 C ATOM 0 H ILE A 649 0.011 15.182 -21.861 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.240 17.867 -21.492 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.434 15.360 -22.637 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -0.820 16.358 -24.171 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.459 16.579 -24.748 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.367 16.842 -23.112 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -4.052 16.714 -21.365 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.554 18.172 -22.254 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.112 18.610 -25.139 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.423 18.954 -23.985 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.758 18.730 -23.399 1.00 25.00 H new ATOM 874 N ARG A 650 -1.833 17.026 -19.163 1.00 25.00 N ATOM 875 CA ARG A 650 -2.245 16.634 -17.817 1.00 25.00 C ATOM 876 C ARG A 650 -3.663 16.195 -17.825 1.00 25.00 C ATOM 877 O ARG A 650 -4.422 16.786 -18.547 1.00 25.00 O ATOM 878 CB ARG A 650 -2.201 17.842 -16.850 1.00 25.00 C ATOM 879 CG ARG A 650 -3.457 18.822 -16.964 1.00 25.00 C ATOM 880 CD ARG A 650 -3.291 20.041 -16.075 1.00 25.00 C ATOM 881 NE ARG A 650 -4.506 20.875 -16.074 1.00 25.00 N ATOM 882 CZ ARG A 650 -5.534 20.738 -15.241 1.00 25.00 C ATOM 883 NH1 ARG A 650 -5.565 19.817 -14.307 1.00 25.00 N ATOM 884 NH2 ARG A 650 -6.552 21.545 -15.351 1.00 25.00 N ATOM 0 H ARG A 650 -1.644 18.024 -19.258 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.567 15.842 -17.499 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.136 17.471 -15.827 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.292 18.412 -17.041 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.580 19.139 -18.000 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.365 18.287 -16.684 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -3.065 19.723 -15.057 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -2.442 20.632 -16.420 1.00 25.00 H new ATOM 0 HE ARG A 650 -4.563 21.619 -16.770 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -4.781 19.173 -14.200 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -6.373 19.745 -13.688 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -6.553 22.270 -16.069 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -7.347 21.452 -14.719 1.00 25.00 H new ATOM 898 N LEU A 651 -4.034 15.195 -17.045 1.00 25.00 N ATOM 899 CA LEU A 651 -5.451 15.020 -16.690 1.00 25.00 C ATOM 900 C LEU A 651 -5.585 14.376 -15.303 1.00 25.00 C ATOM 901 O LEU A 651 -4.730 13.592 -14.903 1.00 25.00 O ATOM 902 CB LEU A 651 -6.277 14.309 -17.774 1.00 25.00 C ATOM 903 CG LEU A 651 -7.106 15.214 -18.746 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.447 16.694 -18.212 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.432 15.343 -20.125 1.00 25.00 C ATOM 0 H LEU A 651 -3.400 14.502 -16.648 1.00 25.00 H new ATOM 0 HA LEU A 651 -5.892 16.015 -16.634 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.598 13.702 -18.373 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -6.966 13.624 -17.280 1.00 25.00 H new ATOM 0 HG LEU A 651 -8.054 14.681 -18.818 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.023 17.229 -18.967 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.029 16.624 -17.293 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.520 17.232 -18.014 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -7.040 15.979 -20.769 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.443 15.786 -20.007 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.336 14.356 -20.577 1.00 25.00 H new ATOM 917 N PRO A 652 -6.649 14.726 -14.543 1.00 25.00 N ATOM 918 CA PRO A 652 -6.786 14.142 -13.206 1.00 25.00 C ATOM 919 C PRO A 652 -7.363 12.740 -13.258 1.00 25.00 C ATOM 920 O PRO A 652 -7.865 12.311 -14.288 1.00 25.00 O ATOM 921 CB PRO A 652 -7.779 15.088 -12.531 1.00 25.00 C ATOM 922 CG PRO A 652 -8.685 15.466 -13.637 1.00 25.00 C ATOM 923 CD PRO A 652 -7.768 15.650 -14.823 1.00 25.00 C ATOM 0 HA PRO A 652 -5.830 14.047 -12.691 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.316 14.597 -11.720 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.280 15.958 -12.103 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.428 14.691 -13.825 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.230 16.382 -13.410 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.268 15.402 -15.759 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.425 16.681 -14.909 1.00 25.00 H new ATOM 931 N SER A 653 -7.314 12.046 -12.132 1.00 25.00 N ATOM 932 CA SER A 653 -7.834 10.688 -12.021 1.00 25.00 C ATOM 933 C SER A 653 -9.305 10.554 -12.414 1.00 25.00 C ATOM 934 O SER A 653 -9.715 9.535 -12.952 1.00 25.00 O ATOM 935 CB SER A 653 -7.673 10.243 -10.579 1.00 25.00 C ATOM 936 OG SER A 653 -8.283 11.173 -9.698 1.00 25.00 O ATOM 0 H SER A 653 -6.912 12.407 -11.267 1.00 25.00 H new ATOM 0 HA SER A 653 -7.270 10.067 -12.717 1.00 25.00 H new ATOM 0 HB2 SER A 653 -8.121 9.259 -10.444 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.614 10.147 -10.339 1.00 25.00 H new ATOM 0 HG SER A 653 -8.171 10.869 -8.773 1.00 25.00 H new ATOM 942 N GLY A 654 -10.089 11.588 -12.141 1.00 25.00 N ATOM 943 CA GLY A 654 -11.515 11.573 -12.439 1.00 25.00 C ATOM 944 C GLY A 654 -11.877 12.071 -13.827 1.00 25.00 C ATOM 945 O GLY A 654 -12.840 12.819 -13.974 1.00 25.00 O ATOM 0 H GLY A 654 -9.759 12.452 -11.711 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.886 10.554 -12.325 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -12.033 12.185 -11.701 1.00 25.00 H new ATOM 949 N SER A 655 -11.116 11.678 -14.837 1.00 25.00 N ATOM 950 CA SER A 655 -11.387 12.093 -16.215 1.00 25.00 C ATOM 951 C SER A 655 -11.667 10.827 -17.026 1.00 25.00 C ATOM 952 O SER A 655 -10.786 10.006 -17.193 1.00 25.00 O ATOM 953 CB SER A 655 -10.192 12.865 -16.791 1.00 25.00 C ATOM 954 OG SER A 655 -10.533 13.514 -18.006 1.00 25.00 O ATOM 0 H SER A 655 -10.303 11.071 -14.733 1.00 25.00 H new ATOM 0 HA SER A 655 -12.246 12.763 -16.254 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.850 13.603 -16.066 1.00 25.00 H new ATOM 0 HB3 SER A 655 -9.362 12.179 -16.963 1.00 25.00 H new ATOM 0 HG SER A 655 -10.486 12.872 -18.745 1.00 25.00 H new ATOM 960 N ASP A 656 -12.893 10.669 -17.511 1.00 25.00 N ATOM 961 CA ASP A 656 -13.299 9.460 -18.259 1.00 25.00 C ATOM 962 C ASP A 656 -12.691 9.379 -19.658 1.00 25.00 C ATOM 963 O ASP A 656 -12.635 8.312 -20.263 1.00 25.00 O ATOM 964 CB ASP A 656 -14.827 9.422 -18.408 1.00 25.00 C ATOM 965 CG ASP A 656 -15.505 8.584 -17.334 1.00 25.00 C ATOM 966 OD1 ASP A 656 -15.137 8.687 -16.146 1.00 25.00 O ATOM 967 OD2 ASP A 656 -16.427 7.816 -17.677 1.00 25.00 O ATOM 0 H ASP A 656 -13.635 11.361 -17.405 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.930 8.614 -17.679 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -15.216 10.439 -18.368 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -15.082 9.021 -19.389 1.00 25.00 H new ATOM 972 N HIS A 657 -12.245 10.506 -20.185 1.00 25.00 N ATOM 973 CA HIS A 657 -11.648 10.544 -21.513 1.00 25.00 C ATOM 974 C HIS A 657 -10.713 11.734 -21.576 1.00 25.00 C ATOM 975 O HIS A 657 -10.703 12.570 -20.669 1.00 25.00 O ATOM 976 CB HIS A 657 -12.724 10.668 -22.604 1.00 25.00 C ATOM 977 CG HIS A 657 -13.376 12.014 -22.660 1.00 25.00 C ATOM 978 ND1 HIS A 657 -14.430 12.402 -21.871 1.00 25.00 N ATOM 979 CD2 HIS A 657 -13.113 13.092 -23.451 1.00 25.00 C ATOM 980 CE1 HIS A 657 -14.750 13.653 -22.190 1.00 25.00 C ATOM 981 NE2 HIS A 657 -13.976 14.126 -23.147 1.00 25.00 N ATOM 0 H HIS A 657 -12.284 11.410 -19.714 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.104 9.616 -21.690 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.272 10.453 -23.572 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.489 9.911 -22.434 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -12.342 13.132 -24.206 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -15.546 14.213 -21.722 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -14.008 15.053 -23.570 1.00 25.00 H new ATOM 989 N VAL A 658 -9.945 11.820 -22.648 1.00 25.00 N ATOM 990 CA VAL A 658 -9.077 12.961 -22.893 1.00 25.00 C ATOM 991 C VAL A 658 -9.346 13.395 -24.327 1.00 25.00 C ATOM 992 O VAL A 658 -9.381 12.580 -25.252 1.00 25.00 O ATOM 993 CB VAL A 658 -7.562 12.631 -22.640 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.206 11.228 -23.114 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.647 13.665 -23.326 1.00 25.00 C ATOM 0 H VAL A 658 -9.905 11.103 -23.372 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.294 13.769 -22.195 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.401 12.678 -21.563 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.150 11.036 -22.922 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.811 10.498 -22.576 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.402 11.145 -24.183 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.604 13.412 -23.134 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.831 13.657 -24.400 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -6.858 14.658 -22.929 1.00 25.00 H new ATOM 1005 N MET A 659 -9.558 14.688 -24.500 1.00 25.00 N ATOM 1006 CA MET A 659 -9.826 15.262 -25.808 1.00 25.00 C ATOM 1007 C MET A 659 -8.597 16.073 -26.202 1.00 25.00 C ATOM 1008 O MET A 659 -8.292 17.094 -25.579 1.00 25.00 O ATOM 1009 CB MET A 659 -11.092 16.125 -25.736 1.00 25.00 C ATOM 1010 CG MET A 659 -11.949 16.048 -26.977 1.00 25.00 C ATOM 1011 SD MET A 659 -11.242 16.942 -28.357 1.00 25.00 S ATOM 1012 CE MET A 659 -12.350 16.414 -29.701 1.00 25.00 C ATOM 0 H MET A 659 -9.549 15.368 -23.740 1.00 25.00 H new ATOM 0 HA MET A 659 -10.007 14.496 -26.562 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.685 15.814 -24.876 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.805 17.163 -25.567 1.00 25.00 H new ATOM 0 HG2 MET A 659 -12.084 15.003 -27.257 1.00 25.00 H new ATOM 0 HG3 MET A 659 -12.938 16.450 -26.757 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.450 17.220 -30.428 1.00 25.00 H new ATOM 0 HE2 MET A 659 -11.934 15.534 -30.191 1.00 25.00 H new ATOM 0 HE3 MET A 659 -13.330 16.172 -29.290 1.00 25.00 H new ATOM 1022 N LEU A 660 -7.882 15.605 -27.214 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.644 16.248 -27.667 1.00 25.00 C ATOM 1024 C LEU A 660 -6.958 17.187 -28.803 1.00 25.00 C ATOM 1025 O LEU A 660 -7.979 17.042 -29.439 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.651 15.203 -28.175 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.134 14.193 -27.151 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.259 13.192 -27.869 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.338 14.887 -26.046 1.00 25.00 C ATOM 0 H LEU A 660 -8.137 14.773 -27.746 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.208 16.788 -26.826 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.123 14.652 -28.988 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -4.794 15.726 -28.600 1.00 25.00 H new ATOM 0 HG LEU A 660 -5.980 13.690 -26.682 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.880 12.462 -27.154 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -4.843 12.681 -28.634 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.422 13.710 -28.337 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -3.983 14.144 -25.332 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.486 15.407 -26.483 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -4.977 15.606 -25.534 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.070 18.139 -29.057 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.229 19.113 -30.142 1.00 25.00 C ATOM 1043 C LYS A 661 -4.849 19.647 -30.461 1.00 25.00 C ATOM 1044 O LYS A 661 -3.881 19.180 -29.870 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.205 20.238 -29.757 1.00 25.00 C ATOM 1046 CG LYS A 661 -6.906 20.947 -28.426 1.00 25.00 C ATOM 1047 CD LYS A 661 -8.181 21.169 -27.641 1.00 25.00 C ATOM 1048 CE LYS A 661 -8.570 19.851 -27.000 1.00 25.00 C ATOM 1049 NZ LYS A 661 -9.799 19.915 -26.153 1.00 25.00 N ATOM 0 H LYS A 661 -5.214 18.262 -28.517 1.00 25.00 H new ATOM 0 HA LYS A 661 -6.664 18.639 -31.022 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.206 20.983 -30.553 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -8.211 19.822 -29.709 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -6.210 20.349 -27.838 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -6.420 21.904 -28.619 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -8.032 21.934 -26.879 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -8.976 21.523 -28.297 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -8.723 19.110 -27.785 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -7.739 19.500 -26.388 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -9.820 19.098 -25.510 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -9.792 20.794 -25.596 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -10.642 19.898 -26.762 1.00 25.00 H new ATOM 1063 N SER A 662 -4.763 20.598 -31.385 1.00 25.00 N ATOM 1064 CA SER A 662 -3.480 21.162 -31.838 1.00 25.00 C ATOM 1065 C SER A 662 -2.617 20.033 -32.401 1.00 25.00 C ATOM 1066 O SER A 662 -1.456 19.843 -32.021 1.00 25.00 O ATOM 1067 CB SER A 662 -2.766 21.910 -30.706 1.00 25.00 C ATOM 1068 OG SER A 662 -3.636 22.869 -30.124 1.00 25.00 O ATOM 0 H SER A 662 -5.577 21.005 -31.846 1.00 25.00 H new ATOM 0 HA SER A 662 -3.664 21.896 -32.623 1.00 25.00 H new ATOM 0 HB2 SER A 662 -2.433 21.202 -29.947 1.00 25.00 H new ATOM 0 HB3 SER A 662 -1.875 22.405 -31.093 1.00 25.00 H new ATOM 0 HG SER A 662 -3.169 23.339 -29.402 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.233 19.290 -33.308 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.638 18.140 -33.970 1.00 25.00 C ATOM 1076 C LEU A 663 -3.082 18.223 -35.421 1.00 25.00 C ATOM 1077 O LEU A 663 -4.059 18.914 -35.723 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.129 16.838 -33.307 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.650 16.657 -33.068 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.384 16.112 -34.276 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -4.842 15.705 -31.888 1.00 25.00 C ATOM 0 H LEU A 663 -4.189 19.476 -33.612 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.551 18.139 -33.896 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -2.789 16.004 -33.921 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.629 16.748 -32.343 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.072 17.641 -32.864 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.444 16.009 -34.042 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.262 16.797 -35.115 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -4.975 15.137 -34.541 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -5.907 15.564 -31.703 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.384 14.743 -32.118 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.373 16.127 -31.000 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.380 17.544 -36.311 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.723 17.578 -37.731 1.00 25.00 C ATOM 1095 C ASP A 664 -4.011 16.795 -37.915 1.00 25.00 C ATOM 1096 O ASP A 664 -4.216 15.790 -37.257 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.655 16.907 -38.596 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.291 17.586 -38.522 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.101 18.581 -37.787 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.618 17.084 -39.210 1.00 25.00 O ATOM 0 H ASP A 664 -1.573 16.964 -36.083 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.814 18.621 -38.035 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.551 15.867 -38.287 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -1.992 16.899 -39.633 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.874 17.235 -38.814 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.109 16.502 -39.095 1.00 25.00 C ATOM 1107 C TRP A 665 -6.092 15.951 -40.511 1.00 25.00 C ATOM 1108 O TRP A 665 -6.572 14.857 -40.763 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.324 17.404 -38.870 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.135 18.810 -39.375 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.499 19.832 -38.743 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.598 19.367 -40.622 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.520 20.973 -39.480 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.181 20.732 -40.651 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.324 18.856 -41.716 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.456 21.583 -41.740 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.604 19.713 -42.816 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -8.159 21.066 -42.814 1.00 25.00 C ATOM 0 H TRP A 665 -4.750 18.087 -39.360 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.180 15.659 -38.408 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.190 16.963 -39.364 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.548 17.437 -37.804 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.033 19.747 -37.772 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.109 21.865 -39.204 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.662 17.830 -41.719 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -7.127 22.612 -41.737 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -9.160 19.334 -43.661 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -8.373 21.698 -43.663 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.515 16.714 -41.426 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.409 16.332 -42.832 1.00 25.00 C ATOM 1131 C ASN A 666 -4.112 15.569 -43.094 1.00 25.00 C ATOM 1132 O ASN A 666 -3.757 15.312 -44.239 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.430 17.589 -43.707 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.236 18.479 -43.465 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -3.989 18.916 -42.346 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.490 18.743 -44.497 1.00 25.00 N ATOM 0 H ASN A 666 -5.103 17.623 -41.216 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.253 15.687 -43.075 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.455 17.297 -44.757 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.344 18.150 -43.510 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.665 19.333 -44.392 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.730 18.360 -45.411 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.409 15.222 -42.027 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.164 14.477 -42.121 1.00 25.00 C ATOM 1145 C ALA A 667 -2.137 13.515 -40.936 1.00 25.00 C ATOM 1146 O ALA A 667 -2.988 13.593 -40.051 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.949 15.428 -42.105 1.00 25.00 C ATOM 0 H ALA A 667 -3.686 15.449 -41.072 1.00 25.00 H new ATOM 0 HA ALA A 667 -2.108 13.927 -43.060 1.00 25.00 H new ATOM 0 HB1 ALA A 667 -0.030 14.846 -42.176 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -1.012 16.112 -42.951 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.946 15.998 -41.176 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.175 12.611 -40.945 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.081 11.553 -39.943 1.00 25.00 C ATOM 1155 C GLU A 668 -0.403 12.008 -38.647 1.00 25.00 C ATOM 1156 O GLU A 668 0.532 12.821 -38.665 1.00 25.00 O ATOM 1157 CB GLU A 668 -0.298 10.393 -40.567 1.00 25.00 C ATOM 1158 CG GLU A 668 -0.430 9.069 -39.854 1.00 25.00 C ATOM 1159 CD GLU A 668 -1.324 8.091 -40.612 1.00 25.00 C ATOM 1160 OE1 GLU A 668 -0.947 7.679 -41.728 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -2.412 7.743 -40.094 1.00 25.00 O ATOM 0 H GLU A 668 -0.434 12.585 -41.645 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.090 11.253 -39.662 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -0.628 10.266 -41.598 1.00 25.00 H new ATOM 0 HB3 GLU A 668 0.757 10.665 -40.601 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.559 8.629 -39.724 1.00 25.00 H new ATOM 0 HG3 GLU A 668 -0.839 9.234 -38.857 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.868 11.470 -37.529 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.283 11.756 -36.228 1.00 25.00 C ATOM 1170 C TYR A 669 -0.370 10.543 -35.319 1.00 25.00 C ATOM 1171 O TYR A 669 -1.198 9.659 -35.527 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.972 12.955 -35.582 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.425 12.773 -35.279 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.395 13.047 -36.258 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.851 12.343 -34.008 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.761 12.919 -35.973 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.225 12.213 -33.717 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.163 12.516 -34.706 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.491 12.432 -34.446 1.00 25.00 O ATOM 0 H TYR A 669 -1.658 10.826 -37.498 1.00 25.00 H new ATOM 0 HA TYR A 669 0.769 11.999 -36.376 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.452 13.195 -34.655 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.861 13.815 -36.242 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -3.084 13.360 -37.243 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.119 12.111 -33.249 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.497 13.132 -36.734 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.548 11.883 -32.741 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.991 12.905 -35.143 1.00 25.00 H new ATOM 1189 N GLU A 670 0.499 10.508 -34.321 1.00 25.00 N ATOM 1190 CA GLU A 670 0.581 9.401 -33.373 1.00 25.00 C ATOM 1191 C GLU A 670 0.369 9.934 -31.958 1.00 25.00 C ATOM 1192 O GLU A 670 0.770 11.059 -31.638 1.00 25.00 O ATOM 1193 CB GLU A 670 1.948 8.704 -33.489 1.00 25.00 C ATOM 1194 CG GLU A 670 3.150 9.607 -33.176 1.00 25.00 C ATOM 1195 CD GLU A 670 4.483 8.932 -33.462 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.774 7.885 -32.850 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.249 9.462 -34.300 1.00 25.00 O ATOM 0 H GLU A 670 1.174 11.252 -34.142 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.194 8.669 -33.599 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.965 7.850 -32.812 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.057 8.312 -34.500 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.076 10.520 -33.766 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.114 9.901 -32.127 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.271 9.133 -31.120 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.573 9.516 -29.741 1.00 25.00 C ATOM 1206 C VAL A 671 -0.168 8.401 -28.790 1.00 25.00 C ATOM 1207 O VAL A 671 -0.499 7.251 -29.030 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.104 9.736 -29.562 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.449 10.110 -28.111 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.626 10.820 -30.522 1.00 25.00 C ATOM 0 H VAL A 671 -0.597 8.200 -31.372 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.025 10.433 -29.524 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.595 8.793 -29.802 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.525 10.257 -28.019 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.134 9.308 -27.444 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -1.933 11.031 -27.840 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.698 10.952 -30.374 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.114 11.761 -30.321 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.437 10.516 -31.551 1.00 25.00 H new ATOM 1220 N TYR A 672 0.520 8.752 -27.712 1.00 25.00 N ATOM 1221 CA TYR A 672 0.891 7.819 -26.647 1.00 25.00 C ATOM 1222 C TYR A 672 0.266 8.340 -25.367 1.00 25.00 C ATOM 1223 O TYR A 672 0.274 9.540 -25.120 1.00 25.00 O ATOM 1224 CB TYR A 672 2.407 7.766 -26.466 1.00 25.00 C ATOM 1225 CG TYR A 672 3.089 6.919 -27.502 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.534 5.619 -27.187 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.284 7.399 -28.808 1.00 25.00 C ATOM 1228 CE1 TYR A 672 4.151 4.805 -28.169 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.909 6.594 -29.792 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.338 5.305 -29.465 1.00 25.00 C ATOM 1231 OH TYR A 672 4.931 4.531 -30.425 1.00 25.00 O ATOM 0 H TYR A 672 0.842 9.705 -27.547 1.00 25.00 H new ATOM 0 HA TYR A 672 0.545 6.816 -26.896 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.809 8.778 -26.509 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.636 7.374 -25.475 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.403 5.239 -26.185 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.953 8.394 -29.065 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.475 3.805 -27.920 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.053 6.975 -30.792 1.00 25.00 H new ATOM 0 HH TYR A 672 4.980 5.033 -31.265 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.282 7.453 -24.556 1.00 25.00 N ATOM 1242 CA VAL A 673 -0.942 7.854 -23.317 1.00 25.00 C ATOM 1243 C VAL A 673 -0.582 6.853 -22.223 1.00 25.00 C ATOM 1244 O VAL A 673 -0.510 5.641 -22.475 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.496 7.969 -23.550 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.039 6.739 -24.305 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.254 8.194 -22.232 1.00 25.00 C ATOM 0 H VAL A 673 -0.285 6.448 -24.729 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.600 8.838 -22.996 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.667 8.846 -24.174 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.114 6.847 -24.451 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.547 6.661 -25.275 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.840 5.838 -23.724 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.322 8.268 -22.435 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -3.070 7.357 -21.559 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -2.908 9.117 -21.766 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.342 7.358 -21.019 1.00 25.00 N ATOM 1258 CA VAL A 674 -0.025 6.528 -19.855 1.00 25.00 C ATOM 1259 C VAL A 674 -0.786 7.041 -18.636 1.00 25.00 C ATOM 1260 O VAL A 674 -1.234 8.193 -18.595 1.00 25.00 O ATOM 1261 CB VAL A 674 1.509 6.528 -19.514 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.310 5.863 -20.622 1.00 25.00 C ATOM 1263 CG2 VAL A 674 2.030 7.945 -19.284 1.00 25.00 C ATOM 0 H VAL A 674 -0.361 8.358 -20.818 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.320 5.509 -20.104 1.00 25.00 H new ATOM 0 HB VAL A 674 1.634 5.960 -18.592 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.369 5.875 -20.363 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.978 4.832 -20.743 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.159 6.405 -21.556 1.00 25.00 H new ATOM 0 HG21 VAL A 674 3.094 7.908 -19.050 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.877 8.540 -20.185 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.492 8.400 -18.453 1.00 25.00 H new ATOM 1273 N ALA A 675 -0.918 6.177 -17.644 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.559 6.511 -16.382 1.00 25.00 C ATOM 1275 C ALA A 675 -0.478 6.510 -15.319 1.00 25.00 C ATOM 1276 O ALA A 675 0.478 5.748 -15.408 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.611 5.495 -16.059 1.00 25.00 C ATOM 0 H ALA A 675 -0.581 5.216 -17.692 1.00 25.00 H new ATOM 0 HA ALA A 675 -2.043 7.486 -16.435 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.087 5.752 -15.112 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.361 5.483 -16.850 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.153 4.509 -15.979 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.638 7.352 -14.318 1.00 25.00 N ATOM 1284 CA GLU A 676 0.296 7.430 -13.208 1.00 25.00 C ATOM 1285 C GLU A 676 -0.501 7.257 -11.932 1.00 25.00 C ATOM 1286 O GLU A 676 -1.276 8.131 -11.560 1.00 25.00 O ATOM 1287 CB GLU A 676 0.984 8.790 -13.232 1.00 25.00 C ATOM 1288 CG GLU A 676 2.108 8.936 -12.253 1.00 25.00 C ATOM 1289 CD GLU A 676 2.767 10.289 -12.357 1.00 25.00 C ATOM 1290 OE1 GLU A 676 3.761 10.399 -13.111 1.00 25.00 O ATOM 1291 OE2 GLU A 676 2.298 11.244 -11.703 1.00 25.00 O ATOM 0 H GLU A 676 -1.420 8.003 -14.249 1.00 25.00 H new ATOM 0 HA GLU A 676 1.062 6.657 -13.275 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.368 8.971 -14.236 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.241 9.562 -13.031 1.00 25.00 H new ATOM 0 HG2 GLU A 676 1.730 8.792 -11.241 1.00 25.00 H new ATOM 0 HG3 GLU A 676 2.849 8.156 -12.430 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.330 6.131 -11.259 1.00 25.00 N ATOM 1299 CA ASN A 677 -1.054 5.881 -10.021 1.00 25.00 C ATOM 1300 C ASN A 677 -0.095 6.225 -8.896 1.00 25.00 C ATOM 1301 O ASN A 677 1.061 6.536 -9.138 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.678 4.459 -9.992 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.882 3.447 -9.209 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.321 3.471 -9.163 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.577 2.534 -8.593 1.00 25.00 N ATOM 0 H ASN A 677 0.298 5.380 -11.545 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.938 6.509 -9.911 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.680 4.523 -9.567 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -1.789 4.103 -11.016 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -1.103 1.811 -8.051 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.595 2.542 -8.652 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.573 6.209 -7.668 1.00 25.00 N ATOM 1313 CA GLN A 678 0.238 6.655 -6.540 1.00 25.00 C ATOM 1314 C GLN A 678 1.481 5.780 -6.225 1.00 25.00 C ATOM 1315 O GLN A 678 2.284 6.141 -5.372 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.701 6.809 -5.336 1.00 25.00 C ATOM 1317 CG GLN A 678 -0.135 7.622 -4.173 1.00 25.00 C ATOM 1318 CD GLN A 678 -1.203 8.016 -3.184 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -2.123 8.739 -3.519 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -1.084 7.555 -1.967 1.00 25.00 N ATOM 0 H GLN A 678 -1.512 5.895 -7.421 1.00 25.00 H new ATOM 0 HA GLN A 678 0.693 7.609 -6.806 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.624 7.280 -5.673 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.964 5.816 -4.971 1.00 25.00 H new ATOM 0 HG2 GLN A 678 0.633 7.040 -3.664 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.349 8.519 -4.560 1.00 25.00 H new ATOM 0 HE21 GLN A 678 -0.298 6.951 -1.725 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -1.777 7.799 -1.259 1.00 25.00 H new ATOM 1329 N GLN A 679 1.644 4.652 -6.910 1.00 25.00 N ATOM 1330 CA GLN A 679 2.812 3.783 -6.711 1.00 25.00 C ATOM 1331 C GLN A 679 3.669 3.544 -7.972 1.00 25.00 C ATOM 1332 O GLN A 679 4.798 3.084 -7.859 1.00 25.00 O ATOM 1333 CB GLN A 679 2.363 2.428 -6.155 1.00 25.00 C ATOM 1334 CG GLN A 679 2.576 2.264 -4.629 1.00 25.00 C ATOM 1335 CD GLN A 679 1.433 2.779 -3.742 1.00 25.00 C ATOM 1336 OE1 GLN A 679 1.488 2.641 -2.528 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.414 3.348 -4.327 1.00 25.00 N ATOM 0 H GLN A 679 0.984 4.313 -7.610 1.00 25.00 H new ATOM 0 HA GLN A 679 3.449 4.318 -6.006 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.306 2.288 -6.380 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.906 1.638 -6.673 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.732 1.207 -4.413 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.492 2.785 -4.350 1.00 25.00 H new ATOM 0 HE21 GLN A 679 0.399 3.448 -5.342 1.00 25.00 H new ATOM 0 HE22 GLN A 679 -0.367 3.693 -3.769 1.00 25.00 H new ATOM 1346 N GLY A 680 3.141 3.834 -9.156 1.00 25.00 N ATOM 1347 CA GLY A 680 3.866 3.566 -10.392 1.00 25.00 C ATOM 1348 C GLY A 680 3.082 3.978 -11.626 1.00 25.00 C ATOM 1349 O GLY A 680 2.101 4.715 -11.514 1.00 25.00 O ATOM 0 H GLY A 680 2.220 4.252 -9.286 1.00 25.00 H new ATOM 0 HA2 GLY A 680 4.817 4.099 -10.375 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.097 2.502 -10.451 1.00 25.00 H new ATOM 1353 N LYS A 681 3.496 3.529 -12.806 1.00 25.00 N ATOM 1354 CA LYS A 681 2.854 3.939 -14.064 1.00 25.00 C ATOM 1355 C LYS A 681 2.353 2.776 -14.896 1.00 25.00 C ATOM 1356 O LYS A 681 2.741 1.641 -14.699 1.00 25.00 O ATOM 1357 CB LYS A 681 3.828 4.761 -14.904 1.00 25.00 C ATOM 1358 CG LYS A 681 4.072 6.148 -14.329 1.00 25.00 C ATOM 1359 CD LYS A 681 3.925 7.242 -15.388 1.00 25.00 C ATOM 1360 CE LYS A 681 5.239 7.938 -15.634 1.00 25.00 C ATOM 1361 NZ LYS A 681 5.610 8.855 -14.494 1.00 25.00 N ATOM 0 H LYS A 681 4.274 2.880 -12.925 1.00 25.00 H new ATOM 0 HA LYS A 681 1.985 4.532 -13.779 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.777 4.230 -14.976 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.438 4.856 -15.917 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.369 6.333 -13.517 1.00 25.00 H new ATOM 0 HG3 LYS A 681 5.073 6.191 -13.900 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.561 6.806 -16.318 1.00 25.00 H new ATOM 0 HD3 LYS A 681 3.180 7.969 -15.064 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.024 7.194 -15.772 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.178 8.513 -16.558 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 6.242 9.604 -14.842 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 4.749 9.285 -14.100 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 6.095 8.309 -13.753 1.00 25.00 H new ATOM 1375 N SER A 682 1.468 3.080 -15.830 1.00 25.00 N ATOM 1376 CA SER A 682 0.886 2.055 -16.688 1.00 25.00 C ATOM 1377 C SER A 682 1.744 1.840 -17.910 1.00 25.00 C ATOM 1378 O SER A 682 2.578 2.679 -18.258 1.00 25.00 O ATOM 1379 CB SER A 682 -0.511 2.470 -17.157 1.00 25.00 C ATOM 1380 OG SER A 682 -0.437 3.403 -18.227 1.00 25.00 O ATOM 0 H SER A 682 1.135 4.026 -16.016 1.00 25.00 H new ATOM 0 HA SER A 682 0.825 1.136 -16.105 1.00 25.00 H new ATOM 0 HB2 SER A 682 -1.067 1.589 -17.477 1.00 25.00 H new ATOM 0 HB3 SER A 682 -1.061 2.909 -16.325 1.00 25.00 H new ATOM 0 HG SER A 682 -0.314 2.922 -19.072 1.00 25.00 H new ATOM 1386 N LYS A 683 1.516 0.730 -18.594 1.00 25.00 N ATOM 1387 CA LYS A 683 2.180 0.502 -19.871 1.00 25.00 C ATOM 1388 C LYS A 683 1.561 1.519 -20.817 1.00 25.00 C ATOM 1389 O LYS A 683 0.380 1.842 -20.687 1.00 25.00 O ATOM 1390 CB LYS A 683 1.929 -0.915 -20.392 1.00 25.00 C ATOM 1391 CG LYS A 683 2.912 -1.334 -21.495 1.00 25.00 C ATOM 1392 CD LYS A 683 2.549 -2.671 -22.141 1.00 25.00 C ATOM 1393 CE LYS A 683 2.779 -3.850 -21.194 1.00 25.00 C ATOM 1394 NZ LYS A 683 2.577 -5.160 -21.907 1.00 25.00 N ATOM 0 H LYS A 683 0.888 -0.016 -18.295 1.00 25.00 H new ATOM 0 HA LYS A 683 3.261 0.608 -19.780 1.00 25.00 H new ATOM 0 HB2 LYS A 683 2.001 -1.619 -19.563 1.00 25.00 H new ATOM 0 HB3 LYS A 683 0.911 -0.979 -20.777 1.00 25.00 H new ATOM 0 HG2 LYS A 683 2.939 -0.561 -22.263 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.915 -1.400 -21.074 1.00 25.00 H new ATOM 0 HD2 LYS A 683 1.503 -2.652 -22.448 1.00 25.00 H new ATOM 0 HD3 LYS A 683 3.144 -2.810 -23.044 1.00 25.00 H new ATOM 0 HE2 LYS A 683 3.790 -3.804 -20.789 1.00 25.00 H new ATOM 0 HE3 LYS A 683 2.094 -3.782 -20.349 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 2.739 -5.945 -21.244 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.605 -5.210 -22.272 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 3.248 -5.232 -22.698 1.00 25.00 H new ATOM 1408 N ALA A 684 2.338 2.015 -21.759 1.00 25.00 N ATOM 1409 CA ALA A 684 1.824 2.952 -22.740 1.00 25.00 C ATOM 1410 C ALA A 684 0.903 2.231 -23.711 1.00 25.00 C ATOM 1411 O ALA A 684 1.098 1.052 -24.012 1.00 25.00 O ATOM 1412 CB ALA A 684 2.989 3.587 -23.504 1.00 25.00 C ATOM 0 H ALA A 684 3.326 1.786 -21.867 1.00 25.00 H new ATOM 0 HA ALA A 684 1.260 3.733 -22.229 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.601 4.291 -24.240 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.638 4.115 -22.805 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.559 2.808 -24.011 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.071 2.966 -24.217 1.00 25.00 N ATOM 1419 CA ALA A 685 -0.928 2.495 -25.289 1.00 25.00 C ATOM 1420 C ALA A 685 -0.771 3.586 -26.333 1.00 25.00 C ATOM 1421 O ALA A 685 -0.655 4.764 -25.975 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.381 2.362 -24.830 1.00 25.00 C ATOM 0 H ALA A 685 -0.290 3.909 -23.895 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.662 1.503 -25.653 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -2.993 2.007 -25.659 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.439 1.651 -24.006 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.748 3.333 -24.498 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.742 3.207 -27.598 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.555 4.159 -28.678 1.00 25.00 C ATOM 1430 C HIS A 686 -1.448 3.871 -29.865 1.00 25.00 C ATOM 1431 O HIS A 686 -1.776 2.718 -30.139 1.00 25.00 O ATOM 1432 CB HIS A 686 0.901 4.152 -29.124 1.00 25.00 C ATOM 1433 CG HIS A 686 1.447 2.782 -29.382 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.287 2.087 -30.553 1.00 25.00 N ATOM 1435 CD2 HIS A 686 2.175 1.956 -28.580 1.00 25.00 C ATOM 1436 CE1 HIS A 686 1.895 0.912 -30.427 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.448 0.775 -29.239 1.00 25.00 N ATOM 0 H HIS A 686 -0.846 2.240 -27.904 1.00 25.00 H new ATOM 0 HA HIS A 686 -0.829 5.141 -28.293 1.00 25.00 H new ATOM 0 HB2 HIS A 686 0.996 4.748 -30.032 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.508 4.637 -28.359 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.492 2.191 -27.575 1.00 25.00 H new ATOM 0 HE1 HIS A 686 1.931 0.162 -31.203 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.965 -0.029 -28.884 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.837 4.923 -30.568 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.654 4.785 -31.766 1.00 25.00 C ATOM 1447 C PHE A 687 -2.256 5.870 -32.759 1.00 25.00 C ATOM 1448 O PHE A 687 -1.683 6.891 -32.370 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.152 4.813 -31.426 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.737 6.187 -31.293 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.589 6.922 -30.103 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.470 6.747 -32.355 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.181 8.204 -29.968 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.047 8.025 -32.236 1.00 25.00 C ATOM 1455 CZ PHE A 687 -5.906 8.755 -31.039 1.00 25.00 C ATOM 0 H PHE A 687 -1.600 5.886 -30.329 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.474 3.814 -32.227 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.697 4.274 -32.201 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.309 4.274 -30.492 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.020 6.507 -29.285 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.591 6.190 -33.272 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.075 8.755 -29.045 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.599 8.447 -33.063 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.353 9.734 -30.945 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.539 5.626 -34.029 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.152 6.519 -35.123 1.00 25.00 C ATOM 1467 C VAL A 688 -3.433 6.838 -35.889 1.00 25.00 C ATOM 1468 O VAL A 688 -4.288 5.960 -36.031 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.103 5.812 -36.046 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.699 6.693 -37.216 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.154 5.440 -35.236 1.00 25.00 C ATOM 0 H VAL A 688 -3.048 4.797 -34.338 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.687 7.433 -34.754 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.573 4.911 -36.440 1.00 25.00 H new ATOM 0 HG11 VAL A 688 0.030 6.167 -37.833 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.579 6.928 -37.815 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.258 7.616 -36.841 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.876 4.949 -35.889 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.598 6.343 -34.818 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.122 4.764 -34.427 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.588 8.072 -36.356 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.814 8.477 -37.045 1.00 25.00 C ATOM 1483 C PHE A 689 -4.609 9.635 -38.033 1.00 25.00 C ATOM 1484 O PHE A 689 -3.675 10.420 -37.899 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.845 8.891 -35.982 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.215 9.173 -36.536 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.638 10.498 -36.752 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.091 8.119 -36.849 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -8.921 10.776 -37.265 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.376 8.384 -37.381 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.791 9.718 -37.587 1.00 25.00 C ATOM 0 H PHE A 689 -2.886 8.807 -36.272 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.156 7.627 -37.636 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -5.921 8.099 -35.237 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.483 9.780 -35.466 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -6.969 11.314 -36.521 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -7.781 7.098 -36.682 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.236 11.799 -37.411 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.038 7.567 -37.629 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.771 9.925 -37.990 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.520 9.730 -39.000 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.595 10.834 -39.970 1.00 25.00 C ATOM 1503 C ARG A 690 -7.042 10.879 -40.453 1.00 25.00 C ATOM 1504 O ARG A 690 -7.712 9.842 -40.477 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.623 10.632 -41.153 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.646 9.256 -41.830 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.620 9.193 -42.988 1.00 25.00 C ATOM 1508 NE ARG A 690 -5.779 7.811 -43.467 1.00 25.00 N ATOM 1509 CZ ARG A 690 -6.612 6.911 -42.953 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -7.395 7.169 -41.931 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -6.655 5.719 -43.480 1.00 25.00 N ATOM 0 H ARG A 690 -6.246 9.027 -39.139 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.300 11.774 -39.503 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -4.842 11.387 -41.908 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.610 10.821 -40.798 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.645 9.015 -42.188 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.913 8.497 -41.094 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -6.587 9.587 -42.677 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.265 9.825 -43.802 1.00 25.00 H new ATOM 0 HE ARG A 690 -5.204 7.520 -44.257 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -7.380 8.092 -41.497 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -8.018 6.446 -41.571 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -6.056 5.490 -44.273 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -7.288 5.016 -43.099 1.00 25.00 H new ATOM 1525 N THR A 691 -7.525 12.048 -40.844 1.00 25.00 N ATOM 1526 CA THR A 691 -8.898 12.208 -41.340 1.00 25.00 C ATOM 1527 C THR A 691 -8.822 13.120 -42.569 1.00 25.00 C ATOM 1528 O THR A 691 -7.728 13.391 -43.045 1.00 25.00 O ATOM 1529 CB THR A 691 -9.867 12.748 -40.228 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.215 12.730 -40.710 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.528 14.160 -39.777 1.00 25.00 C ATOM 0 H THR A 691 -6.985 12.913 -40.830 1.00 25.00 H new ATOM 0 HA THR A 691 -9.324 11.245 -41.623 1.00 25.00 H new ATOM 0 HB THR A 691 -9.750 12.090 -39.367 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.334 11.973 -41.321 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.233 14.476 -39.008 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.516 14.179 -39.371 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.591 14.839 -40.628 1.00 25.00 H new ATOM 1539 N HIS A 692 -9.968 13.562 -43.082 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.039 14.458 -44.249 1.00 25.00 C ATOM 1541 C HIS A 692 -9.288 13.892 -45.469 1.00 25.00 C ATOM 1542 O HIS A 692 -8.675 14.617 -46.237 1.00 25.00 O ATOM 1543 CB HIS A 692 -9.509 15.850 -43.873 1.00 25.00 C ATOM 1544 CG HIS A 692 -10.108 16.959 -44.681 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -11.259 17.629 -44.346 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -9.692 17.535 -45.844 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -11.490 18.551 -45.276 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -10.565 18.539 -46.213 1.00 25.00 N ATOM 0 H HIS A 692 -10.881 13.311 -42.703 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.086 14.541 -44.540 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.709 16.032 -42.817 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -8.426 15.864 -44.000 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -8.809 17.248 -46.396 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -12.333 19.226 -45.264 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -10.506 19.141 -47.034 1.00 25.00 H new