USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 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 684 HIS : no HD1:sc= 0 K(o=-2.1,f=-0.072) USER MOD Set 1.2: A 686 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.072) USER MOD Single : A 685 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.4) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 699 LYS NZ :NH3+ -111:sc= -0.242 (180deg=-1.09) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 719 THR OG1 : rot 8:sc= 0.438 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ 157:sc=-0.00254 (180deg=-0.245) USER MOD Single : A 726 LYS NZ :NH3+ -162:sc= -0.0392 (180deg=-0.482) USER MOD Single : A 727 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.91) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 51.039 22.439 -4.743 1.00 0.00 N ATOM 2 CA VAL A 683 51.066 21.021 -5.084 1.00 0.00 C ATOM 3 C VAL A 683 52.392 20.396 -4.658 1.00 0.00 C ATOM 4 O VAL A 683 52.487 19.819 -3.575 1.00 0.00 O ATOM 5 CB VAL A 683 50.866 20.843 -6.596 1.00 0.00 C ATOM 6 CG1 VAL A 683 50.957 19.356 -6.961 1.00 0.00 C ATOM 7 CG2 VAL A 683 49.490 21.384 -6.998 1.00 0.00 C ATOM 0 HA VAL A 683 50.257 20.519 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 683 51.643 21.392 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 683 50.814 19.236 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 683 51.937 18.972 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 683 50.184 18.803 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 683 49.349 21.257 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 683 48.714 20.837 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 683 49.428 22.443 -6.746 1.00 0.00 H new ATOM 16 N HIS A 684 53.449 20.711 -5.406 1.00 0.00 N ATOM 17 CA HIS A 684 54.786 20.208 -5.096 1.00 0.00 C ATOM 18 C HIS A 684 54.818 18.681 -5.160 1.00 0.00 C ATOM 19 O HIS A 684 54.305 18.001 -4.269 1.00 0.00 O ATOM 20 CB HIS A 684 55.218 20.680 -3.702 1.00 0.00 C ATOM 21 CG HIS A 684 56.623 21.215 -3.761 1.00 0.00 C ATOM 22 ND1 HIS A 684 56.914 22.550 -3.532 1.00 0.00 N ATOM 23 CD2 HIS A 684 57.816 20.623 -4.098 1.00 0.00 C ATOM 24 CE1 HIS A 684 58.246 22.698 -3.642 1.00 0.00 C ATOM 25 NE2 HIS A 684 58.838 21.566 -4.029 1.00 0.00 N ATOM 0 H HIS A 684 53.405 21.311 -6.230 1.00 0.00 H new ATOM 0 HA HIS A 684 55.480 20.602 -5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 684 54.539 21.453 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 684 55.163 19.853 -2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 684 57.942 19.586 -4.374 1.00 0.00 H new ATOM 0 HE1 HIS A 684 58.772 23.620 -3.442 1.00 0.00 H new ATOM 0 HE2 HIS A 684 59.827 21.423 -4.231 1.00 0.00 H new ATOM 33 N HIS A 685 55.529 18.155 -6.153 1.00 0.00 N ATOM 34 CA HIS A 685 55.570 16.713 -6.377 1.00 0.00 C ATOM 35 C HIS A 685 56.588 16.057 -5.448 1.00 0.00 C ATOM 36 O HIS A 685 57.759 15.917 -5.801 1.00 0.00 O ATOM 37 CB HIS A 685 55.938 16.423 -7.837 1.00 0.00 C ATOM 38 CG HIS A 685 54.883 16.993 -8.745 1.00 0.00 C ATOM 39 ND1 HIS A 685 53.939 16.196 -9.375 1.00 0.00 N ATOM 40 CD2 HIS A 685 54.602 18.281 -9.133 1.00 0.00 C ATOM 41 CE1 HIS A 685 53.195 16.995 -10.160 1.00 0.00 C ATOM 42 NE2 HIS A 685 53.500 18.283 -9.984 1.00 0.00 N ATOM 0 H HIS A 685 56.082 18.702 -6.813 1.00 0.00 H new ATOM 0 HA HIS A 685 54.584 16.299 -6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 685 56.909 16.859 -8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 685 56.025 15.348 -7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 685 55.152 19.158 -8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 685 52.443 16.639 -10.848 1.00 0.00 H new ATOM 0 HE2 HIS A 685 53.028 19.093 -10.386 1.00 0.00 H new ATOM 50 N GLN A 686 56.187 15.874 -4.191 1.00 0.00 N ATOM 51 CA GLN A 686 57.101 15.378 -3.166 1.00 0.00 C ATOM 52 C GLN A 686 56.826 13.907 -2.869 1.00 0.00 C ATOM 53 O GLN A 686 55.910 13.578 -2.114 1.00 0.00 O ATOM 54 CB GLN A 686 56.939 16.201 -1.882 1.00 0.00 C ATOM 55 CG GLN A 686 57.460 17.624 -2.113 1.00 0.00 C ATOM 56 CD GLN A 686 58.986 17.657 -2.034 1.00 0.00 C ATOM 57 OE1 GLN A 686 59.586 18.729 -2.106 1.00 0.00 O ATOM 58 NE2 GLN A 686 59.656 16.543 -1.900 1.00 0.00 N ATOM 0 H GLN A 686 55.240 16.061 -3.860 1.00 0.00 H new ATOM 0 HA GLN A 686 58.122 15.476 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 686 55.890 16.231 -1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 686 57.487 15.731 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 686 57.133 17.983 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 686 57.037 18.298 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 686 59.160 15.654 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 686 60.675 16.563 -1.855 1.00 0.00 H new ATOM 67 N LYS A 687 57.654 13.032 -3.439 1.00 0.00 N ATOM 68 CA LYS A 687 57.510 11.591 -3.229 1.00 0.00 C ATOM 69 C LYS A 687 56.079 11.143 -3.518 1.00 0.00 C ATOM 70 O LYS A 687 55.306 10.861 -2.600 1.00 0.00 O ATOM 71 CB LYS A 687 57.892 11.225 -1.790 1.00 0.00 C ATOM 72 CG LYS A 687 59.412 11.317 -1.626 1.00 0.00 C ATOM 73 CD LYS A 687 59.751 11.730 -0.190 1.00 0.00 C ATOM 74 CE LYS A 687 61.272 11.757 -0.012 1.00 0.00 C ATOM 75 NZ LYS A 687 61.617 12.540 1.208 1.00 0.00 N1+ ATOM 0 H LYS A 687 58.429 13.294 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 687 58.180 11.076 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 687 57.399 11.898 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 687 57.551 10.216 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 687 59.871 10.356 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 687 59.820 12.042 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 687 59.331 12.713 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 687 59.304 11.030 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 687 61.657 10.741 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 687 61.743 12.203 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 62.650 12.558 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 61.263 13.513 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 61.179 12.096 2.041 1.00 0.00 H new ATOM 89 N LEU A 688 55.770 10.980 -4.802 1.00 0.00 N ATOM 90 CA LEU A 688 54.438 10.547 -5.216 1.00 0.00 C ATOM 91 C LEU A 688 54.140 9.143 -4.690 1.00 0.00 C ATOM 92 O LEU A 688 52.978 8.789 -4.490 1.00 0.00 O ATOM 93 CB LEU A 688 54.342 10.559 -6.745 1.00 0.00 C ATOM 94 CG LEU A 688 54.608 11.978 -7.268 1.00 0.00 C ATOM 95 CD1 LEU A 688 55.572 11.919 -8.457 1.00 0.00 C ATOM 96 CD2 LEU A 688 53.290 12.619 -7.713 1.00 0.00 C ATOM 0 H LEU A 688 56.421 11.140 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 688 53.703 11.237 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 688 55.065 9.863 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 688 53.354 10.224 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 688 55.052 12.575 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 688 55.758 12.928 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 688 56.513 11.469 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 688 55.132 11.318 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 688 53.482 13.626 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 688 52.843 12.019 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 688 52.605 12.668 -6.866 1.00 0.00 H new ATOM 108 N VAL A 689 55.189 8.463 -4.228 1.00 0.00 N ATOM 109 CA VAL A 689 55.051 7.100 -3.721 1.00 0.00 C ATOM 110 C VAL A 689 54.597 7.108 -2.263 1.00 0.00 C ATOM 111 O VAL A 689 54.050 6.118 -1.775 1.00 0.00 O ATOM 112 CB VAL A 689 56.388 6.355 -3.838 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.820 6.297 -5.309 1.00 0.00 C ATOM 114 CG2 VAL A 689 57.461 7.078 -3.016 1.00 0.00 C ATOM 0 H VAL A 689 56.139 8.832 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 689 54.297 6.589 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 689 56.266 5.341 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 689 57.769 5.768 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 689 56.062 5.772 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 689 56.936 7.310 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 689 58.407 6.544 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 689 57.582 8.095 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.158 7.110 -1.970 1.00 0.00 H new ATOM 124 N PHE A 690 54.987 8.150 -1.530 1.00 0.00 N ATOM 125 CA PHE A 690 54.642 8.251 -0.114 1.00 0.00 C ATOM 126 C PHE A 690 53.131 8.382 0.062 1.00 0.00 C ATOM 127 O PHE A 690 52.568 7.859 1.024 1.00 0.00 O ATOM 128 CB PHE A 690 55.342 9.464 0.512 1.00 0.00 C ATOM 129 CG PHE A 690 56.444 8.994 1.434 1.00 0.00 C ATOM 130 CD1 PHE A 690 57.662 8.551 0.902 1.00 0.00 C ATOM 131 CD2 PHE A 690 56.256 9.024 2.822 1.00 0.00 C ATOM 132 CE1 PHE A 690 58.703 8.169 1.758 1.00 0.00 C ATOM 133 CE2 PHE A 690 57.308 8.670 3.678 1.00 0.00 C ATOM 134 CZ PHE A 690 58.523 8.225 3.146 1.00 0.00 C ATOM 0 H PHE A 690 55.537 8.930 -1.890 1.00 0.00 H new ATOM 0 HA PHE A 690 54.976 7.343 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 690 55.755 10.101 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 690 54.622 10.066 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.798 8.504 -0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 690 55.302 9.320 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 690 59.644 7.832 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 690 57.181 8.741 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 690 59.323 7.924 3.806 1.00 0.00 H new ATOM 144 N PHE A 691 52.468 8.879 -0.980 1.00 0.00 N ATOM 145 CA PHE A 691 51.009 8.919 -1.006 1.00 0.00 C ATOM 146 C PHE A 691 50.446 7.665 -1.671 1.00 0.00 C ATOM 147 O PHE A 691 49.355 7.699 -2.245 1.00 0.00 O ATOM 148 CB PHE A 691 50.541 10.164 -1.766 1.00 0.00 C ATOM 149 CG PHE A 691 50.916 11.402 -0.983 1.00 0.00 C ATOM 150 CD1 PHE A 691 50.021 11.924 -0.040 1.00 0.00 C ATOM 151 CD2 PHE A 691 52.222 11.905 -1.061 1.00 0.00 C ATOM 152 CE1 PHE A 691 50.419 12.973 0.797 1.00 0.00 C ATOM 153 CE2 PHE A 691 52.627 12.933 -0.202 1.00 0.00 C ATOM 154 CZ PHE A 691 51.716 13.492 0.701 1.00 0.00 C ATOM 0 H PHE A 691 52.916 9.258 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 691 50.644 8.959 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 691 50.999 10.193 -2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 691 49.462 10.128 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 691 49.024 11.517 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 691 52.915 11.500 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 691 49.726 13.382 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 691 53.644 13.295 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 691 52.013 14.323 1.323 1.00 0.00 H new ATOM 164 N ALA A 692 51.048 6.523 -1.346 1.00 0.00 N ATOM 165 CA ALA A 692 50.589 5.244 -1.879 1.00 0.00 C ATOM 166 C ALA A 692 49.406 4.717 -1.071 1.00 0.00 C ATOM 167 O ALA A 692 48.973 3.579 -1.257 1.00 0.00 O ATOM 168 CB ALA A 692 51.734 4.226 -1.841 1.00 0.00 C ATOM 0 H ALA A 692 51.850 6.458 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 692 50.268 5.393 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 692 51.387 3.273 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 692 52.565 4.591 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 692 52.065 4.089 -0.812 1.00 0.00 H new ATOM 174 N GLU A 693 48.906 5.541 -0.152 1.00 0.00 N ATOM 175 CA GLU A 693 47.714 5.186 0.616 1.00 0.00 C ATOM 176 C GLU A 693 46.455 5.399 -0.217 1.00 0.00 C ATOM 177 O GLU A 693 45.478 4.663 -0.064 1.00 0.00 O ATOM 178 CB GLU A 693 47.639 6.036 1.889 1.00 0.00 C ATOM 179 CG GLU A 693 48.936 5.879 2.692 1.00 0.00 C ATOM 180 CD GLU A 693 48.863 6.688 3.987 1.00 0.00 C ATOM 181 OE1 GLU A 693 47.822 6.653 4.626 1.00 0.00 O ATOM 182 OE2 GLU A 693 49.905 7.154 4.421 1.00 0.00 O1- ATOM 0 H GLU A 693 49.304 6.452 0.078 1.00 0.00 H new ATOM 0 HA GLU A 693 47.781 4.132 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 693 47.485 7.083 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 693 46.786 5.728 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 693 49.103 4.827 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 693 49.784 6.213 2.094 1.00 0.00 H new ATOM 189 N ASP A 694 46.575 6.225 -1.253 1.00 0.00 N ATOM 190 CA ASP A 694 45.410 6.652 -2.024 1.00 0.00 C ATOM 191 C ASP A 694 45.207 5.739 -3.232 1.00 0.00 C ATOM 192 O ASP A 694 44.074 5.418 -3.599 1.00 0.00 O ATOM 193 CB ASP A 694 45.591 8.112 -2.472 1.00 0.00 C ATOM 194 CG ASP A 694 45.696 8.212 -3.995 1.00 0.00 C ATOM 195 OD1 ASP A 694 44.666 8.369 -4.632 1.00 0.00 O ATOM 196 OD2 ASP A 694 46.811 8.225 -4.492 1.00 0.00 O1- ATOM 0 H ASP A 694 47.462 6.611 -1.577 1.00 0.00 H new ATOM 0 HA ASP A 694 44.522 6.585 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 694 44.749 8.710 -2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 694 46.489 8.527 -2.014 1.00 0.00 H new ATOM 201 N VAL A 695 46.315 5.259 -3.789 1.00 0.00 N ATOM 202 CA VAL A 695 46.265 4.376 -4.950 1.00 0.00 C ATOM 203 C VAL A 695 45.864 2.962 -4.541 1.00 0.00 C ATOM 204 O VAL A 695 45.855 2.052 -5.373 1.00 0.00 O ATOM 205 CB VAL A 695 47.637 4.343 -5.633 1.00 0.00 C ATOM 206 CG1 VAL A 695 48.107 5.775 -5.902 1.00 0.00 C ATOM 207 CG2 VAL A 695 48.655 3.639 -4.726 1.00 0.00 C ATOM 0 H VAL A 695 47.257 5.466 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 695 45.517 4.761 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 695 47.555 3.799 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 695 49.083 5.753 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 695 47.390 6.277 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 695 48.184 6.316 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 695 49.628 3.619 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 695 48.736 4.179 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 695 48.325 2.618 -4.533 1.00 0.00 H new ATOM 217 N GLY A 696 45.776 2.739 -3.233 1.00 0.00 N ATOM 218 CA GLY A 696 45.126 1.543 -2.709 1.00 0.00 C ATOM 219 C GLY A 696 43.659 1.488 -3.129 1.00 0.00 C ATOM 220 O GLY A 696 42.774 1.335 -2.286 1.00 0.00 O ATOM 0 H GLY A 696 46.145 3.368 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 696 45.645 0.655 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 696 45.197 1.533 -1.621 1.00 0.00 H new ATOM 224 N SER A 697 43.434 1.400 -4.438 1.00 0.00 N ATOM 225 CA SER A 697 42.090 1.200 -4.970 1.00 0.00 C ATOM 226 C SER A 697 41.919 -0.231 -5.466 1.00 0.00 C ATOM 227 O SER A 697 42.830 -0.791 -6.077 1.00 0.00 O ATOM 228 CB SER A 697 41.840 2.170 -6.128 1.00 0.00 C ATOM 229 OG SER A 697 42.043 3.504 -5.682 1.00 0.00 O ATOM 0 H SER A 697 44.164 1.464 -5.148 1.00 0.00 H new ATOM 0 HA SER A 697 41.372 1.387 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 697 42.513 1.946 -6.956 1.00 0.00 H new ATOM 0 HB3 SER A 697 40.823 2.051 -6.503 1.00 0.00 H new ATOM 0 HG SER A 697 41.885 4.125 -6.424 1.00 0.00 H new ATOM 235 N ASN A 698 40.676 -0.711 -5.421 1.00 0.00 N ATOM 236 CA ASN A 698 40.369 -2.087 -5.808 1.00 0.00 C ATOM 237 C ASN A 698 41.110 -3.078 -4.914 1.00 0.00 C ATOM 238 O ASN A 698 42.332 -3.211 -4.997 1.00 0.00 O ATOM 239 CB ASN A 698 40.755 -2.322 -7.275 1.00 0.00 C ATOM 240 CG ASN A 698 39.642 -3.077 -7.995 1.00 0.00 C ATOM 241 OD1 ASN A 698 38.943 -2.504 -8.831 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.413 -4.327 -7.696 1.00 0.00 N ATOM 0 H ASN A 698 39.867 -0.168 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 698 39.297 -2.244 -5.689 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.936 -1.367 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.684 -2.890 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 698 38.654 -4.830 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.993 -4.800 -7.003 1.00 0.00 H new ATOM 249 N LYS A 699 40.356 -3.806 -4.091 1.00 0.00 N ATOM 250 CA LYS A 699 40.955 -4.742 -3.144 1.00 0.00 C ATOM 251 C LYS A 699 41.755 -5.813 -3.883 1.00 0.00 C ATOM 252 O LYS A 699 42.833 -6.203 -3.433 1.00 0.00 O ATOM 253 CB LYS A 699 39.865 -5.410 -2.295 1.00 0.00 C ATOM 254 CG LYS A 699 38.912 -4.344 -1.738 1.00 0.00 C ATOM 255 CD LYS A 699 38.604 -4.636 -0.264 1.00 0.00 C ATOM 256 CE LYS A 699 37.958 -6.021 -0.127 1.00 0.00 C ATOM 257 NZ LYS A 699 38.941 -6.973 0.465 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.337 -3.766 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 699 41.627 -4.184 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.309 -6.127 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.320 -5.968 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.361 -3.356 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 699 37.988 -4.332 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.522 -4.594 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 699 37.935 -3.873 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.071 -5.959 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 699 37.631 -6.380 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 39.224 -7.671 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 39.780 -6.450 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 38.506 -7.463 1.273 1.00 0.00 H new ATOM 271 N GLY A 700 41.358 -6.076 -5.126 1.00 0.00 N ATOM 272 CA GLY A 700 42.040 -7.071 -5.946 1.00 0.00 C ATOM 273 C GLY A 700 43.437 -6.595 -6.335 1.00 0.00 C ATOM 274 O GLY A 700 44.394 -7.371 -6.314 1.00 0.00 O ATOM 0 H GLY A 700 40.572 -5.616 -5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.111 -8.011 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.456 -7.269 -6.845 1.00 0.00 H new ATOM 278 N ALA A 701 43.563 -5.295 -6.597 1.00 0.00 N ATOM 279 CA ALA A 701 44.861 -4.710 -6.916 1.00 0.00 C ATOM 280 C ALA A 701 45.824 -4.869 -5.743 1.00 0.00 C ATOM 281 O ALA A 701 46.913 -5.415 -5.910 1.00 0.00 O ATOM 282 CB ALA A 701 44.700 -3.227 -7.251 1.00 0.00 C ATOM 0 H ALA A 701 42.788 -4.632 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 701 45.270 -5.233 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.674 -2.800 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.038 -3.118 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.273 -2.705 -6.395 1.00 0.00 H new ATOM 288 N ILE A 702 45.306 -4.653 -4.535 1.00 0.00 N ATOM 289 CA ILE A 702 46.137 -4.693 -3.332 1.00 0.00 C ATOM 290 C ILE A 702 46.842 -6.043 -3.214 1.00 0.00 C ATOM 291 O ILE A 702 48.040 -6.093 -2.928 1.00 0.00 O ATOM 292 CB ILE A 702 45.267 -4.453 -2.089 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.439 -3.174 -2.283 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.161 -4.299 -0.851 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.536 -2.951 -1.067 1.00 0.00 C ATOM 0 H ILE A 702 44.321 -4.450 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 702 46.891 -3.909 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 702 44.600 -5.303 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.101 -2.318 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.834 -3.255 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.539 -4.129 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.747 -5.207 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.832 -3.451 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.951 -2.042 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.864 -3.801 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 702 44.150 -2.850 -0.172 1.00 0.00 H new ATOM 307 N ILE A 703 46.179 -7.086 -3.711 1.00 0.00 N ATOM 308 CA ILE A 703 46.751 -8.430 -3.691 1.00 0.00 C ATOM 309 C ILE A 703 47.947 -8.515 -4.637 1.00 0.00 C ATOM 310 O ILE A 703 49.042 -8.898 -4.226 1.00 0.00 O ATOM 311 CB ILE A 703 45.690 -9.461 -4.108 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.347 -9.137 -3.437 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.144 -10.867 -3.697 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.542 -8.969 -1.925 1.00 0.00 C ATOM 0 H ILE A 703 45.251 -7.027 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 703 47.086 -8.647 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 703 45.566 -9.422 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.930 -8.224 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 703 43.631 -9.935 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.389 -11.595 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.088 -11.102 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.278 -10.905 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.584 -8.739 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.939 -9.893 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.242 -8.155 -1.737 1.00 0.00 H new ATOM 326 N GLY A 704 47.781 -7.956 -5.835 1.00 0.00 N ATOM 327 CA GLY A 704 48.820 -8.029 -6.857 1.00 0.00 C ATOM 328 C GLY A 704 49.938 -7.029 -6.570 1.00 0.00 C ATOM 329 O GLY A 704 51.116 -7.316 -6.792 1.00 0.00 O ATOM 0 H GLY A 704 46.942 -7.451 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.230 -9.038 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.387 -7.826 -7.836 1.00 0.00 H new ATOM 333 N LEU A 705 49.560 -5.886 -6.003 1.00 0.00 N ATOM 334 CA LEU A 705 50.529 -4.862 -5.618 1.00 0.00 C ATOM 335 C LEU A 705 51.449 -5.367 -4.514 1.00 0.00 C ATOM 336 O LEU A 705 52.610 -4.964 -4.434 1.00 0.00 O ATOM 337 CB LEU A 705 49.788 -3.614 -5.136 1.00 0.00 C ATOM 338 CG LEU A 705 49.043 -2.990 -6.318 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.060 -1.933 -5.805 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.051 -2.342 -7.269 1.00 0.00 C ATOM 0 H LEU A 705 48.590 -5.645 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 705 51.138 -4.620 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.086 -3.875 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.492 -2.897 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 705 48.490 -3.764 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.530 -1.489 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.342 -2.400 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.607 -1.156 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.522 -1.897 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.606 -1.568 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.745 -3.099 -7.635 1.00 0.00 H new ATOM 352 N MET A 706 50.968 -6.346 -3.755 1.00 0.00 N ATOM 353 CA MET A 706 51.751 -6.917 -2.666 1.00 0.00 C ATOM 354 C MET A 706 53.028 -7.562 -3.198 1.00 0.00 C ATOM 355 O MET A 706 54.079 -7.488 -2.559 1.00 0.00 O ATOM 356 CB MET A 706 50.920 -7.965 -1.925 1.00 0.00 C ATOM 357 CG MET A 706 51.575 -8.269 -0.576 1.00 0.00 C ATOM 358 SD MET A 706 50.784 -9.718 0.165 1.00 0.00 S ATOM 359 CE MET A 706 49.558 -8.829 1.158 1.00 0.00 C ATOM 0 H MET A 706 50.043 -6.759 -3.873 1.00 0.00 H new ATOM 0 HA MET A 706 52.024 -6.114 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.904 -7.600 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.847 -8.875 -2.520 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.641 -8.452 -0.710 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.480 -7.410 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.948 -9.545 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.068 -8.170 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.919 -8.237 0.503 1.00 0.00 H new ATOM 369 N VAL A 707 52.967 -8.036 -4.439 1.00 0.00 N ATOM 370 CA VAL A 707 54.128 -8.656 -5.071 1.00 0.00 C ATOM 371 C VAL A 707 55.267 -7.649 -5.205 1.00 0.00 C ATOM 372 O VAL A 707 56.403 -7.937 -4.827 1.00 0.00 O ATOM 373 CB VAL A 707 53.745 -9.193 -6.456 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.970 -9.839 -7.112 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.632 -10.237 -6.316 1.00 0.00 C ATOM 0 H VAL A 707 52.132 -8.003 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 707 54.464 -9.482 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 707 53.392 -8.369 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.697 -10.220 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.761 -9.096 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.325 -10.661 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.363 -10.616 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.982 -11.061 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.759 -9.778 -5.853 1.00 0.00 H new ATOM 385 N GLY A 708 54.915 -6.415 -5.559 1.00 0.00 N ATOM 386 CA GLY A 708 55.904 -5.347 -5.670 1.00 0.00 C ATOM 387 C GLY A 708 56.103 -4.639 -4.331 1.00 0.00 C ATOM 388 O GLY A 708 57.027 -3.838 -4.178 1.00 0.00 O ATOM 0 H GLY A 708 53.959 -6.132 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.853 -5.760 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.582 -4.626 -6.422 1.00 0.00 H new ATOM 392 N GLY A 709 55.342 -5.064 -3.324 1.00 0.00 N ATOM 393 CA GLY A 709 55.372 -4.408 -2.020 1.00 0.00 C ATOM 394 C GLY A 709 56.499 -4.963 -1.152 1.00 0.00 C ATOM 395 O GLY A 709 56.609 -4.618 0.025 1.00 0.00 O ATOM 0 H GLY A 709 54.701 -5.855 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.506 -3.334 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.416 -4.550 -1.516 1.00 0.00 H new ATOM 399 N VAL A 710 57.426 -5.681 -1.783 1.00 0.00 N ATOM 400 CA VAL A 710 58.532 -6.301 -1.058 1.00 0.00 C ATOM 401 C VAL A 710 59.550 -5.246 -0.635 1.00 0.00 C ATOM 402 O VAL A 710 60.059 -5.279 0.486 1.00 0.00 O ATOM 403 CB VAL A 710 59.217 -7.346 -1.948 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.385 -7.985 -1.187 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.207 -8.433 -2.335 1.00 0.00 C ATOM 0 H VAL A 710 57.433 -5.847 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 710 58.134 -6.786 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 710 59.592 -6.860 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.870 -8.727 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.106 -7.215 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.010 -8.468 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.695 -9.175 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.829 -8.916 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.377 -7.982 -2.879 1.00 0.00 H new ATOM 415 N VAL A 711 59.952 -4.410 -1.589 1.00 0.00 N ATOM 416 CA VAL A 711 60.921 -3.355 -1.314 1.00 0.00 C ATOM 417 C VAL A 711 60.387 -2.403 -0.248 1.00 0.00 C ATOM 418 O VAL A 711 60.996 -2.253 0.813 1.00 0.00 O ATOM 419 CB VAL A 711 61.219 -2.579 -2.604 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.092 -1.359 -2.287 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.956 -3.493 -3.588 1.00 0.00 C ATOM 0 H VAL A 711 59.623 -4.443 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 711 61.840 -3.810 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 711 60.282 -2.243 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.300 -0.812 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.567 -0.708 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.030 -1.689 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.169 -2.944 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.892 -3.829 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.333 -4.357 -3.819 1.00 0.00 H new ATOM 431 N ILE A 712 59.137 -1.981 -0.426 1.00 0.00 N ATOM 432 CA ILE A 712 58.504 -1.061 0.513 1.00 0.00 C ATOM 433 C ILE A 712 58.355 -1.714 1.884 1.00 0.00 C ATOM 434 O ILE A 712 58.499 -1.054 2.913 1.00 0.00 O ATOM 435 CB ILE A 712 57.125 -0.646 -0.011 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.283 0.080 -1.353 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.449 0.288 1.000 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.001 -0.073 -2.176 1.00 0.00 C ATOM 0 H ILE A 712 58.546 -2.261 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 712 59.136 -0.178 0.611 1.00 0.00 H new ATOM 0 HB ILE A 712 56.509 -1.535 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.494 1.136 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.130 -0.331 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.469 0.582 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.333 -0.229 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.064 1.177 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.116 0.444 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.809 -1.131 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.163 0.359 -1.628 1.00 0.00 H new ATOM 450 N ALA A 713 58.112 -3.023 1.889 1.00 0.00 N ATOM 451 CA ALA A 713 58.002 -3.767 3.140 1.00 0.00 C ATOM 452 C ALA A 713 59.282 -3.625 3.957 1.00 0.00 C ATOM 453 O ALA A 713 59.257 -3.053 5.046 1.00 0.00 O ATOM 454 CB ALA A 713 57.734 -5.246 2.851 1.00 0.00 C ATOM 0 H ALA A 713 57.988 -3.586 1.047 1.00 0.00 H new ATOM 0 HA ALA A 713 57.170 -3.358 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.654 -5.792 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.803 -5.345 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.555 -5.656 2.262 1.00 0.00 H new ATOM 460 N THR A 714 60.414 -3.850 3.294 1.00 0.00 N ATOM 461 CA THR A 714 61.710 -3.796 3.966 1.00 0.00 C ATOM 462 C THR A 714 61.982 -2.389 4.492 1.00 0.00 C ATOM 463 O THR A 714 62.404 -2.225 5.636 1.00 0.00 O ATOM 464 CB THR A 714 62.822 -4.204 2.992 1.00 0.00 C ATOM 465 OG1 THR A 714 62.317 -5.156 2.066 1.00 0.00 O ATOM 466 CG2 THR A 714 63.987 -4.822 3.771 1.00 0.00 C ATOM 0 H THR A 714 60.461 -4.070 2.299 1.00 0.00 H new ATOM 0 HA THR A 714 61.692 -4.489 4.807 1.00 0.00 H new ATOM 0 HB THR A 714 63.171 -3.322 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.028 -5.415 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.776 -5.111 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.377 -4.093 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.638 -5.702 4.310 1.00 0.00 H new ATOM 474 N VAL A 715 61.489 -1.394 3.759 1.00 0.00 N ATOM 475 CA VAL A 715 61.682 0.002 4.143 1.00 0.00 C ATOM 476 C VAL A 715 60.858 0.330 5.388 1.00 0.00 C ATOM 477 O VAL A 715 61.413 0.730 6.412 1.00 0.00 O ATOM 478 CB VAL A 715 61.266 0.919 2.986 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.480 2.384 3.383 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.110 0.596 1.747 1.00 0.00 C ATOM 0 H VAL A 715 60.955 -1.527 2.900 1.00 0.00 H new ATOM 0 HA VAL A 715 62.736 0.162 4.370 1.00 0.00 H new ATOM 0 HB VAL A 715 60.212 0.757 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.183 3.032 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.877 2.615 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.533 2.549 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.814 1.248 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.164 0.754 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.952 -0.444 1.460 1.00 0.00 H new ATOM 490 N ILE A 716 59.597 -0.093 5.371 1.00 0.00 N ATOM 491 CA ILE A 716 58.692 0.166 6.489 1.00 0.00 C ATOM 492 C ILE A 716 59.065 -0.699 7.692 1.00 0.00 C ATOM 493 O ILE A 716 58.816 -0.323 8.838 1.00 0.00 O ATOM 494 CB ILE A 716 57.248 -0.133 6.065 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.842 0.798 4.910 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.303 0.072 7.258 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.512 2.196 5.445 1.00 0.00 C ATOM 0 H ILE A 716 59.179 -0.614 4.600 1.00 0.00 H new ATOM 0 HA ILE A 716 58.779 1.215 6.773 1.00 0.00 H new ATOM 0 HB ILE A 716 57.180 -1.168 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.652 0.861 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.977 0.387 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.279 -0.142 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.588 -0.600 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.371 1.104 7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.226 2.844 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.687 2.129 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.388 2.610 5.945 1.00 0.00 H new ATOM 509 N VAL A 717 59.588 -1.891 7.417 1.00 0.00 N ATOM 510 CA VAL A 717 59.957 -2.824 8.476 1.00 0.00 C ATOM 511 C VAL A 717 61.237 -2.365 9.168 1.00 0.00 C ATOM 512 O VAL A 717 61.333 -2.389 10.396 1.00 0.00 O ATOM 513 CB VAL A 717 60.160 -4.226 7.883 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.833 -5.135 8.918 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.803 -4.817 7.492 1.00 0.00 C ATOM 0 H VAL A 717 59.765 -2.232 6.472 1.00 0.00 H new ATOM 0 HA VAL A 717 59.154 -2.855 9.212 1.00 0.00 H new ATOM 0 HB VAL A 717 60.795 -4.154 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.975 -6.128 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.801 -4.717 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.202 -5.207 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.947 -5.812 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.168 -4.885 8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.327 -4.175 6.751 1.00 0.00 H new ATOM 525 N ILE A 718 62.229 -1.981 8.369 1.00 0.00 N ATOM 526 CA ILE A 718 63.486 -1.471 8.906 1.00 0.00 C ATOM 527 C ILE A 718 63.227 -0.286 9.833 1.00 0.00 C ATOM 528 O ILE A 718 63.675 -0.285 10.980 1.00 0.00 O ATOM 529 CB ILE A 718 64.408 -1.048 7.751 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.063 -2.295 7.133 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.492 -0.092 8.266 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.212 -2.786 8.022 1.00 0.00 C ATOM 0 H ILE A 718 62.187 -2.013 7.350 1.00 0.00 H new ATOM 0 HA ILE A 718 63.971 -2.260 9.482 1.00 0.00 H new ATOM 0 HB ILE A 718 63.818 -0.535 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.321 -3.085 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.439 -2.061 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.140 0.202 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.023 0.795 8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.085 -0.592 9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.667 -3.669 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.961 -2.000 8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.826 -3.039 9.009 1.00 0.00 H new ATOM 544 N THR A 719 62.307 0.582 9.422 1.00 0.00 N ATOM 545 CA THR A 719 61.994 1.776 10.200 1.00 0.00 C ATOM 546 C THR A 719 61.193 1.412 11.449 1.00 0.00 C ATOM 547 O THR A 719 61.384 2.010 12.509 1.00 0.00 O ATOM 548 CB THR A 719 61.193 2.762 9.344 1.00 0.00 C ATOM 549 OG1 THR A 719 60.084 2.094 8.763 1.00 0.00 O ATOM 550 CG2 THR A 719 62.087 3.325 8.235 1.00 0.00 C ATOM 0 H THR A 719 61.769 0.482 8.561 1.00 0.00 H new ATOM 0 HA THR A 719 62.931 2.240 10.509 1.00 0.00 H new ATOM 0 HB THR A 719 60.838 3.579 9.972 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.007 1.195 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.515 4.026 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.938 3.841 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.445 2.509 7.607 1.00 0.00 H new ATOM 558 N LEU A 720 60.449 0.310 11.365 1.00 0.00 N ATOM 559 CA LEU A 720 59.688 -0.181 12.512 1.00 0.00 C ATOM 560 C LEU A 720 60.625 -0.704 13.600 1.00 0.00 C ATOM 561 O LEU A 720 60.258 -0.749 14.774 1.00 0.00 O ATOM 562 CB LEU A 720 58.740 -1.304 12.069 1.00 0.00 C ATOM 563 CG LEU A 720 57.282 -0.853 12.234 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.352 -1.910 11.632 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.956 -0.675 13.723 1.00 0.00 C ATOM 0 H LEU A 720 60.357 -0.256 10.521 1.00 0.00 H new ATOM 0 HA LEU A 720 59.108 0.648 12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.933 -1.566 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.922 -2.200 12.662 1.00 0.00 H new ATOM 0 HG LEU A 720 57.140 0.098 11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.316 -1.592 11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.578 -2.032 10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.500 -2.860 12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.920 -0.355 13.833 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.100 -1.622 14.243 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.616 0.079 14.152 1.00 0.00 H new ATOM 577 N VAL A 721 61.773 -1.233 13.181 1.00 0.00 N ATOM 578 CA VAL A 721 62.756 -1.758 14.127 1.00 0.00 C ATOM 579 C VAL A 721 63.320 -0.635 14.992 1.00 0.00 C ATOM 580 O VAL A 721 63.553 -0.821 16.187 1.00 0.00 O ATOM 581 CB VAL A 721 63.894 -2.451 13.369 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.959 -2.930 14.362 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.339 -3.653 12.599 1.00 0.00 C ATOM 0 H VAL A 721 62.044 -1.309 12.201 1.00 0.00 H new ATOM 0 HA VAL A 721 62.261 -2.482 14.774 1.00 0.00 H new ATOM 0 HB VAL A 721 64.342 -1.745 12.670 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.767 -3.422 13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.357 -2.075 14.909 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.512 -3.634 15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.149 -4.145 12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.888 -4.357 13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.585 -3.314 11.889 1.00 0.00 H new ATOM 593 N MET A 722 63.344 0.572 14.432 1.00 0.00 N ATOM 594 CA MET A 722 63.850 1.733 15.155 1.00 0.00 C ATOM 595 C MET A 722 62.777 2.307 16.070 1.00 0.00 C ATOM 596 O MET A 722 63.084 2.835 17.140 1.00 0.00 O ATOM 597 CB MET A 722 64.309 2.808 14.164 1.00 0.00 C ATOM 598 CG MET A 722 65.697 2.445 13.633 1.00 0.00 C ATOM 599 SD MET A 722 65.602 0.889 12.713 1.00 0.00 S ATOM 600 CE MET A 722 67.370 0.708 12.372 1.00 0.00 C ATOM 0 H MET A 722 63.021 0.770 13.485 1.00 0.00 H new ATOM 0 HA MET A 722 64.696 1.415 15.764 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.600 2.886 13.340 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.337 3.782 14.653 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.070 3.240 12.987 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.401 2.349 14.460 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.539 -0.206 11.802 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.719 1.565 11.796 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.918 0.656 13.313 1.00 0.00 H new ATOM 610 N LEU A 723 61.517 2.059 15.722 1.00 0.00 N ATOM 611 CA LEU A 723 60.407 2.560 16.522 1.00 0.00 C ATOM 612 C LEU A 723 60.461 1.979 17.931 1.00 0.00 C ATOM 613 O LEU A 723 60.524 2.717 18.914 1.00 0.00 O ATOM 614 CB LEU A 723 59.070 2.194 15.862 1.00 0.00 C ATOM 615 CG LEU A 723 57.915 2.645 16.765 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.878 4.176 16.818 1.00 0.00 C ATOM 617 CD2 LEU A 723 56.591 2.110 16.210 1.00 0.00 C ATOM 0 H LEU A 723 61.243 1.520 14.901 1.00 0.00 H new ATOM 0 HA LEU A 723 60.490 3.645 16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.991 2.672 14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.017 1.118 15.695 1.00 0.00 H new ATOM 0 HG LEU A 723 58.064 2.254 17.772 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.058 4.498 17.459 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.820 4.549 17.219 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.730 4.571 15.813 1.00 0.00 H new ATOM 0 HD21 LEU A 723 55.771 2.431 16.852 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.436 2.497 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 723 56.623 1.021 16.179 1.00 0.00 H new ATOM 629 N LYS A 724 60.488 0.652 18.015 1.00 0.00 N ATOM 630 CA LYS A 724 60.573 -0.023 19.304 1.00 0.00 C ATOM 631 C LYS A 724 61.993 -0.524 19.552 1.00 0.00 C ATOM 632 O LYS A 724 62.919 -0.146 18.834 1.00 0.00 O ATOM 633 CB LYS A 724 59.592 -1.202 19.340 1.00 0.00 C ATOM 634 CG LYS A 724 58.454 -0.890 20.318 1.00 0.00 C ATOM 635 CD LYS A 724 57.430 -2.034 20.301 1.00 0.00 C ATOM 636 CE LYS A 724 56.167 -1.583 19.560 1.00 0.00 C ATOM 637 NZ LYS A 724 55.198 -2.714 19.499 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.452 0.027 17.210 1.00 0.00 H new ATOM 0 HA LYS A 724 60.312 0.688 20.088 1.00 0.00 H new ATOM 0 HB2 LYS A 724 59.190 -1.385 18.344 1.00 0.00 H new ATOM 0 HB3 LYS A 724 60.110 -2.111 19.646 1.00 0.00 H new ATOM 0 HG2 LYS A 724 58.852 -0.760 21.324 1.00 0.00 H new ATOM 0 HG3 LYS A 724 57.971 0.048 20.042 1.00 0.00 H new ATOM 0 HD2 LYS A 724 57.857 -2.910 19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 724 57.180 -2.327 21.321 1.00 0.00 H new ATOM 0 HE2 LYS A 724 55.717 -0.731 20.070 1.00 0.00 H new ATOM 0 HE3 LYS A 724 56.421 -1.253 18.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 54.340 -2.409 18.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 55.630 -3.514 18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 54.947 -3.009 20.464 1.00 0.00 H new ATOM 651 N LYS A 725 62.187 -1.157 20.705 1.00 0.00 N ATOM 652 CA LYS A 725 63.492 -1.708 21.061 1.00 0.00 C ATOM 653 C LYS A 725 63.327 -3.012 21.838 1.00 0.00 C ATOM 654 O LYS A 725 62.206 -3.453 22.095 1.00 0.00 O ATOM 655 CB LYS A 725 64.270 -0.696 21.912 1.00 0.00 C ATOM 656 CG LYS A 725 65.358 -0.036 21.060 1.00 0.00 C ATOM 657 CD LYS A 725 66.092 1.024 21.891 1.00 0.00 C ATOM 658 CE LYS A 725 65.934 2.398 21.232 1.00 0.00 C ATOM 659 NZ LYS A 725 64.497 2.796 21.250 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.461 -1.301 21.407 1.00 0.00 H new ATOM 0 HA LYS A 725 64.045 -1.912 20.144 1.00 0.00 H new ATOM 0 HB2 LYS A 725 63.592 0.062 22.304 1.00 0.00 H new ATOM 0 HB3 LYS A 725 64.719 -1.196 22.770 1.00 0.00 H new ATOM 0 HG2 LYS A 725 66.063 -0.788 20.707 1.00 0.00 H new ATOM 0 HG3 LYS A 725 64.914 0.423 20.177 1.00 0.00 H new ATOM 0 HD2 LYS A 725 65.691 1.048 22.904 1.00 0.00 H new ATOM 0 HD3 LYS A 725 67.148 0.769 21.973 1.00 0.00 H new ATOM 0 HE2 LYS A 725 66.534 3.138 21.761 1.00 0.00 H new ATOM 0 HE3 LYS A 725 66.300 2.365 20.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 64.422 3.831 21.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 64.005 2.357 20.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 64.060 2.478 22.138 1.00 0.00 H new ATOM 673 N LYS A 726 64.449 -3.667 22.127 1.00 0.00 N ATOM 674 CA LYS A 726 64.420 -4.946 22.830 1.00 0.00 C ATOM 675 C LYS A 726 64.183 -4.731 24.326 1.00 0.00 C ATOM 676 O LYS A 726 63.150 -4.190 24.722 1.00 0.00 O ATOM 677 CB LYS A 726 65.741 -5.692 22.604 1.00 0.00 C ATOM 678 CG LYS A 726 65.952 -5.917 21.102 1.00 0.00 C ATOM 679 CD LYS A 726 66.750 -7.206 20.882 1.00 0.00 C ATOM 680 CE LYS A 726 67.158 -7.315 19.409 1.00 0.00 C ATOM 681 NZ LYS A 726 65.953 -7.173 18.544 1.00 0.00 N1+ ATOM 0 H LYS A 726 65.383 -3.336 21.887 1.00 0.00 H new ATOM 0 HA LYS A 726 63.599 -5.545 22.436 1.00 0.00 H new ATOM 0 HB2 LYS A 726 66.570 -5.117 23.016 1.00 0.00 H new ATOM 0 HB3 LYS A 726 65.725 -6.648 23.127 1.00 0.00 H new ATOM 0 HG2 LYS A 726 64.989 -5.983 20.595 1.00 0.00 H new ATOM 0 HG3 LYS A 726 66.484 -5.070 20.668 1.00 0.00 H new ATOM 0 HD2 LYS A 726 67.636 -7.209 21.516 1.00 0.00 H new ATOM 0 HD3 LYS A 726 66.150 -8.070 21.168 1.00 0.00 H new ATOM 0 HE2 LYS A 726 67.886 -6.542 19.165 1.00 0.00 H new ATOM 0 HE3 LYS A 726 67.639 -8.276 19.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 66.162 -7.542 17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 65.164 -7.709 18.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 65.691 -6.169 18.475 1.00 0.00 H new ATOM 695 N GLN A 727 65.135 -5.166 25.151 1.00 0.00 N ATOM 696 CA GLN A 727 65.014 -5.015 26.599 1.00 0.00 C ATOM 697 C GLN A 727 66.345 -4.573 27.206 1.00 0.00 C ATOM 698 O GLN A 727 66.470 -4.469 28.427 1.00 0.00 O ATOM 699 CB GLN A 727 64.575 -6.344 27.226 1.00 0.00 C ATOM 700 CG GLN A 727 63.048 -6.375 27.356 1.00 0.00 C ATOM 701 CD GLN A 727 62.598 -5.478 28.507 1.00 0.00 C ATOM 702 OE1 GLN A 727 63.208 -5.484 29.576 1.00 0.00 O ATOM 703 NE2 GLN A 727 61.499 -4.784 28.387 1.00 0.00 N ATOM 0 H GLN A 727 65.993 -5.623 24.843 1.00 0.00 H new ATOM 0 HA GLN A 727 64.265 -4.251 26.807 1.00 0.00 H new ATOM 0 HB2 GLN A 727 64.914 -7.177 26.610 1.00 0.00 H new ATOM 0 HB3 GLN A 727 65.036 -6.464 28.207 1.00 0.00 H new ATOM 0 HG2 GLN A 727 62.590 -6.042 26.425 1.00 0.00 H new ATOM 0 HG3 GLN A 727 62.711 -7.397 27.529 1.00 0.00 H new ATOM 0 HE21 GLN A 727 60.993 -4.779 27.501 1.00 0.00 H new ATOM 0 HE22 GLN A 727 61.146 -4.247 29.179 1.00 0.00 H new ATOM 712 N TYR A 728 67.241 -4.087 26.348 1.00 0.00 N ATOM 713 CA TYR A 728 68.562 -3.654 26.792 1.00 0.00 C ATOM 714 C TYR A 728 68.996 -2.403 26.033 1.00 0.00 C ATOM 715 O TYR A 728 69.741 -1.575 26.557 1.00 0.00 O ATOM 716 CB TYR A 728 69.583 -4.775 26.560 1.00 0.00 C ATOM 717 CG TYR A 728 70.222 -5.159 27.876 1.00 0.00 C ATOM 718 CD1 TYR A 728 71.291 -4.406 28.381 1.00 0.00 C ATOM 719 CD2 TYR A 728 69.677 -6.198 28.641 1.00 0.00 C ATOM 720 CE1 TYR A 728 71.830 -4.712 29.637 1.00 0.00 C ATOM 721 CE2 TYR A 728 70.262 -6.547 29.863 1.00 0.00 C ATOM 722 CZ TYR A 728 71.332 -5.797 30.367 1.00 0.00 C ATOM 723 OH TYR A 728 71.933 -6.164 31.554 1.00 0.00 O ATOM 0 H TYR A 728 67.076 -3.984 25.347 1.00 0.00 H new ATOM 0 HA TYR A 728 68.512 -3.422 27.856 1.00 0.00 H new ATOM 0 HB2 TYR A 728 69.093 -5.641 26.116 1.00 0.00 H new ATOM 0 HB3 TYR A 728 70.347 -4.445 25.856 1.00 0.00 H new ATOM 0 HD1 TYR A 728 71.699 -3.591 27.802 1.00 0.00 H new ATOM 0 HD2 TYR A 728 68.806 -6.729 28.288 1.00 0.00 H new ATOM 0 HE1 TYR A 728 72.630 -4.110 30.042 1.00 0.00 H new ATOM 0 HE2 TYR A 728 69.888 -7.395 30.418 1.00 0.00 H new ATOM 0 HH TYR A 728 71.463 -6.936 31.934 1.00 0.00 H new TER 733 TYR A 728