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 685 HIS : no HD1:sc= -0.0115 K(o=-0.12,f=-0.84) USER MOD Set 1.2: A 686 GLN : amide:sc= -0.112 K(o=-0.12,f=-0.84) USER MOD Single : A 684 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.015) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 50:sc= 0.0568 USER MOD Single : A 698 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.53) USER MOD Single : A 699 LYS NZ :NH3+ -127:sc= -0.309 (180deg=-1.27) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 73:sc= 0.552 USER MOD Single : A 719 THR OG1 : rot 180:sc= -0.104 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+ -159:sc= -0.0146 (180deg=-0.204) USER MOD Single : A 726 LYS NZ :NH3+ 143:sc= -0.0427 (180deg=-0.597) USER MOD Single : A 727 GLN : amide:sc= -0.866 X(o=-0.87,f=-0.79) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 61.100 19.530 -14.557 1.00 0.00 N ATOM 2 CA VAL A 683 61.543 18.152 -14.374 1.00 0.00 C ATOM 3 C VAL A 683 60.470 17.335 -13.654 1.00 0.00 C ATOM 4 O VAL A 683 59.758 17.855 -12.794 1.00 0.00 O ATOM 5 CB VAL A 683 62.853 18.124 -13.572 1.00 0.00 C ATOM 6 CG1 VAL A 683 62.672 18.877 -12.249 1.00 0.00 C ATOM 7 CG2 VAL A 683 63.254 16.671 -13.285 1.00 0.00 C ATOM 0 HA VAL A 683 61.716 17.709 -15.355 1.00 0.00 H new ATOM 0 HB VAL A 683 63.637 18.607 -14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 683 63.605 18.853 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 683 62.399 19.912 -12.454 1.00 0.00 H new ATOM 0 HG13 VAL A 683 61.883 18.402 -11.665 1.00 0.00 H new ATOM 0 HG21 VAL A 683 64.184 16.656 -12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 683 62.468 16.184 -12.709 1.00 0.00 H new ATOM 0 HG23 VAL A 683 63.396 16.140 -14.226 1.00 0.00 H new ATOM 16 N HIS A 684 60.243 16.115 -14.138 1.00 0.00 N ATOM 17 CA HIS A 684 59.321 15.196 -13.474 1.00 0.00 C ATOM 18 C HIS A 684 59.702 13.744 -13.767 1.00 0.00 C ATOM 19 O HIS A 684 59.162 12.817 -13.160 1.00 0.00 O ATOM 20 CB HIS A 684 57.881 15.476 -13.937 1.00 0.00 C ATOM 21 CG HIS A 684 57.497 14.546 -15.059 1.00 0.00 C ATOM 22 ND1 HIS A 684 56.660 13.461 -14.859 1.00 0.00 N ATOM 23 CD2 HIS A 684 57.922 14.453 -16.363 1.00 0.00 C ATOM 24 CE1 HIS A 684 56.510 12.843 -16.043 1.00 0.00 C ATOM 25 NE2 HIS A 684 57.337 13.342 -16.965 1.00 0.00 N ATOM 0 H HIS A 684 60.681 15.742 -14.981 1.00 0.00 H new ATOM 0 HA HIS A 684 59.385 15.353 -12.397 1.00 0.00 H new ATOM 0 HB2 HIS A 684 57.193 15.350 -13.101 1.00 0.00 H new ATOM 0 HB3 HIS A 684 57.794 16.511 -14.269 1.00 0.00 H new ATOM 0 HD2 HIS A 684 58.605 15.136 -16.846 1.00 0.00 H new ATOM 0 HE1 HIS A 684 55.808 12.043 -16.226 1.00 0.00 H new ATOM 0 HE2 HIS A 684 57.504 12.986 -17.906 1.00 0.00 H new ATOM 33 N HIS A 685 60.638 13.558 -14.696 1.00 0.00 N ATOM 34 CA HIS A 685 60.999 12.219 -15.153 1.00 0.00 C ATOM 35 C HIS A 685 61.717 11.448 -14.045 1.00 0.00 C ATOM 36 O HIS A 685 62.060 10.276 -14.214 1.00 0.00 O ATOM 37 CB HIS A 685 61.898 12.317 -16.395 1.00 0.00 C ATOM 38 CG HIS A 685 63.326 12.562 -15.983 1.00 0.00 C ATOM 39 ND1 HIS A 685 63.695 13.630 -15.180 1.00 0.00 N ATOM 40 CD2 HIS A 685 64.483 11.867 -16.233 1.00 0.00 C ATOM 41 CE1 HIS A 685 64.998 13.479 -14.881 1.00 0.00 C ATOM 42 NE2 HIS A 685 65.521 12.405 -15.479 1.00 0.00 N ATOM 0 H HIS A 685 61.157 14.313 -15.144 1.00 0.00 H new ATOM 0 HA HIS A 685 60.087 11.681 -15.412 1.00 0.00 H new ATOM 0 HB2 HIS A 685 61.832 11.396 -16.975 1.00 0.00 H new ATOM 0 HB3 HIS A 685 61.554 13.126 -17.040 1.00 0.00 H new ATOM 0 HD2 HIS A 685 64.574 11.031 -16.911 1.00 0.00 H new ATOM 0 HE1 HIS A 685 65.553 14.144 -14.237 1.00 0.00 H new ATOM 0 HE2 HIS A 685 66.476 12.055 -15.400 1.00 0.00 H new ATOM 50 N GLN A 686 62.023 12.146 -12.951 1.00 0.00 N ATOM 51 CA GLN A 686 62.670 11.523 -11.801 1.00 0.00 C ATOM 52 C GLN A 686 61.789 10.421 -11.219 1.00 0.00 C ATOM 53 O GLN A 686 61.910 9.256 -11.600 1.00 0.00 O ATOM 54 CB GLN A 686 62.946 12.580 -10.726 1.00 0.00 C ATOM 55 CG GLN A 686 64.079 13.500 -11.184 1.00 0.00 C ATOM 56 CD GLN A 686 65.420 12.787 -11.044 1.00 0.00 C ATOM 57 OE1 GLN A 686 66.079 12.500 -12.044 1.00 0.00 O ATOM 58 NE2 GLN A 686 65.849 12.449 -9.858 1.00 0.00 N ATOM 0 H GLN A 686 61.833 13.142 -12.839 1.00 0.00 H new ATOM 0 HA GLN A 686 63.611 11.082 -12.131 1.00 0.00 H new ATOM 0 HB2 GLN A 686 62.045 13.164 -10.537 1.00 0.00 H new ATOM 0 HB3 GLN A 686 63.215 12.096 -9.787 1.00 0.00 H new ATOM 0 HG2 GLN A 686 63.922 13.795 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN A 686 64.080 14.413 -10.589 1.00 0.00 H new ATOM 0 HE21 GLN A 686 65.302 12.687 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 686 66.731 11.947 -9.759 1.00 0.00 H new ATOM 67 N LYS A 687 60.832 10.815 -10.383 1.00 0.00 N ATOM 68 CA LYS A 687 59.956 9.849 -9.731 1.00 0.00 C ATOM 69 C LYS A 687 58.911 9.335 -10.715 1.00 0.00 C ATOM 70 O LYS A 687 57.985 10.063 -11.080 1.00 0.00 O ATOM 71 CB LYS A 687 59.263 10.495 -8.526 1.00 0.00 C ATOM 72 CG LYS A 687 58.226 9.524 -7.948 1.00 0.00 C ATOM 73 CD LYS A 687 57.980 9.848 -6.471 1.00 0.00 C ATOM 74 CE LYS A 687 57.448 11.279 -6.337 1.00 0.00 C ATOM 75 NZ LYS A 687 56.796 11.443 -5.007 1.00 0.00 N1+ ATOM 0 H LYS A 687 60.645 11.789 -10.143 1.00 0.00 H new ATOM 0 HA LYS A 687 60.559 9.009 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 687 60.000 10.752 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 687 58.778 11.424 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 687 57.293 9.599 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 687 58.578 8.498 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 687 57.264 9.143 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 687 58.906 9.740 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 687 58.264 11.994 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 687 56.733 11.489 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 56.435 12.414 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 56.007 10.770 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 57.490 11.259 -4.255 1.00 0.00 H new ATOM 89 N LEU A 688 59.207 8.189 -11.317 1.00 0.00 N ATOM 90 CA LEU A 688 58.294 7.569 -12.271 1.00 0.00 C ATOM 91 C LEU A 688 58.104 6.095 -11.932 1.00 0.00 C ATOM 92 O LEU A 688 56.976 5.633 -11.758 1.00 0.00 O ATOM 93 CB LEU A 688 58.859 7.701 -13.692 1.00 0.00 C ATOM 94 CG LEU A 688 57.845 8.403 -14.605 1.00 0.00 C ATOM 95 CD1 LEU A 688 56.526 7.621 -14.618 1.00 0.00 C ATOM 96 CD2 LEU A 688 57.594 9.830 -14.103 1.00 0.00 C ATOM 0 H LEU A 688 60.071 7.670 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 688 57.330 8.075 -12.216 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.791 8.266 -13.669 1.00 0.00 H new ATOM 0 HB3 LEU A 688 59.095 6.714 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 688 58.247 8.444 -15.617 1.00 0.00 H new ATOM 0 HD11 LEU A 688 55.811 8.125 -15.268 1.00 0.00 H new ATOM 0 HD12 LEU A 688 56.705 6.612 -14.989 1.00 0.00 H new ATOM 0 HD13 LEU A 688 56.123 7.570 -13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 688 56.873 10.324 -14.755 1.00 0.00 H new ATOM 0 HD22 LEU A 688 57.200 9.794 -13.087 1.00 0.00 H new ATOM 0 HD23 LEU A 688 58.530 10.388 -14.109 1.00 0.00 H new ATOM 108 N VAL A 689 59.214 5.434 -11.613 1.00 0.00 N ATOM 109 CA VAL A 689 59.199 3.998 -11.355 1.00 0.00 C ATOM 110 C VAL A 689 58.605 3.705 -9.979 1.00 0.00 C ATOM 111 O VAL A 689 57.856 2.743 -9.809 1.00 0.00 O ATOM 112 CB VAL A 689 60.628 3.445 -11.435 1.00 0.00 C ATOM 113 CG1 VAL A 689 61.498 4.100 -10.354 1.00 0.00 C ATOM 114 CG2 VAL A 689 60.608 1.925 -11.228 1.00 0.00 C ATOM 0 H VAL A 689 60.133 5.869 -11.527 1.00 0.00 H new ATOM 0 HA VAL A 689 58.579 3.513 -12.109 1.00 0.00 H new ATOM 0 HB VAL A 689 61.044 3.669 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 689 62.512 3.705 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 689 61.519 5.179 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 689 61.081 3.882 -9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 689 61.625 1.537 -11.286 1.00 0.00 H new ATOM 0 HG22 VAL A 689 60.187 1.697 -10.249 1.00 0.00 H new ATOM 0 HG23 VAL A 689 59.998 1.460 -12.002 1.00 0.00 H new ATOM 124 N PHE A 690 58.848 4.610 -9.033 1.00 0.00 N ATOM 125 CA PHE A 690 58.310 4.461 -7.685 1.00 0.00 C ATOM 126 C PHE A 690 56.812 4.758 -7.670 1.00 0.00 C ATOM 127 O PHE A 690 56.069 4.187 -6.871 1.00 0.00 O ATOM 128 CB PHE A 690 59.035 5.414 -6.728 1.00 0.00 C ATOM 129 CG PHE A 690 59.368 4.687 -5.444 1.00 0.00 C ATOM 130 CD1 PHE A 690 58.359 4.424 -4.509 1.00 0.00 C ATOM 131 CD2 PHE A 690 60.647 4.149 -5.260 1.00 0.00 C ATOM 132 CE1 PHE A 690 58.641 3.656 -3.373 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.946 3.441 -4.090 1.00 0.00 C ATOM 134 CZ PHE A 690 59.944 3.196 -3.145 1.00 0.00 C ATOM 0 H PHE A 690 59.411 5.449 -9.175 1.00 0.00 H new ATOM 0 HA PHE A 690 58.466 3.432 -7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 690 59.947 5.788 -7.193 1.00 0.00 H new ATOM 0 HB3 PHE A 690 58.407 6.279 -6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.364 4.814 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 690 61.403 4.280 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 690 57.854 3.418 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 690 61.950 3.084 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 690 60.175 2.653 -2.241 1.00 0.00 H new ATOM 144 N PHE A 691 56.362 5.542 -8.647 1.00 0.00 N ATOM 145 CA PHE A 691 54.938 5.834 -8.795 1.00 0.00 C ATOM 146 C PHE A 691 54.329 4.988 -9.913 1.00 0.00 C ATOM 147 O PHE A 691 53.189 5.218 -10.324 1.00 0.00 O ATOM 148 CB PHE A 691 54.742 7.322 -9.111 1.00 0.00 C ATOM 149 CG PHE A 691 53.800 7.941 -8.099 1.00 0.00 C ATOM 150 CD1 PHE A 691 52.474 7.499 -8.019 1.00 0.00 C ATOM 151 CD2 PHE A 691 54.200 9.073 -7.378 1.00 0.00 C ATOM 152 CE1 PHE A 691 51.619 8.042 -7.053 1.00 0.00 C ATOM 153 CE2 PHE A 691 53.323 9.660 -6.457 1.00 0.00 C ATOM 154 CZ PHE A 691 52.029 9.148 -6.299 1.00 0.00 C ATOM 0 H PHE A 691 56.960 5.985 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 691 54.436 5.591 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 691 55.702 7.837 -9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 691 54.339 7.440 -10.117 1.00 0.00 H new ATOM 0 HD1 PHE A 691 52.112 6.742 -8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 691 55.183 9.493 -7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 691 50.644 7.608 -6.889 1.00 0.00 H new ATOM 0 HE2 PHE A 691 53.644 10.507 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 691 51.348 9.606 -5.596 1.00 0.00 H new ATOM 164 N ALA A 692 55.044 3.939 -10.312 1.00 0.00 N ATOM 165 CA ALA A 692 54.551 3.038 -11.352 1.00 0.00 C ATOM 166 C ALA A 692 53.515 2.071 -10.781 1.00 0.00 C ATOM 167 O ALA A 692 52.811 1.396 -11.532 1.00 0.00 O ATOM 168 CB ALA A 692 55.717 2.246 -11.950 1.00 0.00 C ATOM 0 H ALA A 692 55.959 3.693 -9.935 1.00 0.00 H new ATOM 0 HA ALA A 692 54.079 3.637 -12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 692 55.343 1.576 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 692 56.440 2.936 -12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 692 56.199 1.661 -11.167 1.00 0.00 H new ATOM 174 N GLU A 693 53.302 2.154 -9.469 1.00 0.00 N ATOM 175 CA GLU A 693 52.259 1.370 -8.809 1.00 0.00 C ATOM 176 C GLU A 693 50.871 1.799 -9.286 1.00 0.00 C ATOM 177 O GLU A 693 49.884 1.096 -9.061 1.00 0.00 O ATOM 178 CB GLU A 693 52.354 1.545 -7.287 1.00 0.00 C ATOM 179 CG GLU A 693 52.923 2.933 -6.954 1.00 0.00 C ATOM 180 CD GLU A 693 52.584 3.315 -5.514 1.00 0.00 C ATOM 181 OE1 GLU A 693 52.778 2.482 -4.642 1.00 0.00 O ATOM 182 OE2 GLU A 693 52.325 4.485 -5.285 1.00 0.00 O1- ATOM 0 H GLU A 693 53.837 2.755 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 693 52.408 0.321 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 693 51.368 1.429 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 693 52.992 0.770 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 693 54.004 2.933 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.514 3.675 -7.640 1.00 0.00 H new ATOM 189 N ASP A 694 50.828 2.878 -10.067 1.00 0.00 N ATOM 190 CA ASP A 694 49.559 3.421 -10.541 1.00 0.00 C ATOM 191 C ASP A 694 48.891 2.453 -11.520 1.00 0.00 C ATOM 192 O ASP A 694 47.668 2.461 -11.669 1.00 0.00 O ATOM 193 CB ASP A 694 49.803 4.781 -11.216 1.00 0.00 C ATOM 194 CG ASP A 694 48.881 4.962 -12.420 1.00 0.00 C ATOM 195 OD1 ASP A 694 49.268 4.551 -13.502 1.00 0.00 O ATOM 196 OD2 ASP A 694 47.774 5.434 -12.226 1.00 0.00 O1- ATOM 0 H ASP A 694 51.652 3.389 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 694 48.891 3.557 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 694 49.633 5.584 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 694 50.843 4.853 -11.535 1.00 0.00 H new ATOM 201 N VAL A 695 49.670 1.490 -12.010 1.00 0.00 N ATOM 202 CA VAL A 695 49.145 0.479 -12.926 1.00 0.00 C ATOM 203 C VAL A 695 48.015 -0.319 -12.275 1.00 0.00 C ATOM 204 O VAL A 695 47.199 -0.927 -12.969 1.00 0.00 O ATOM 205 CB VAL A 695 50.265 -0.477 -13.358 1.00 0.00 C ATOM 206 CG1 VAL A 695 51.302 0.289 -14.184 1.00 0.00 C ATOM 207 CG2 VAL A 695 50.944 -1.080 -12.123 1.00 0.00 C ATOM 0 H VAL A 695 50.661 1.389 -11.790 1.00 0.00 H new ATOM 0 HA VAL A 695 48.748 0.994 -13.801 1.00 0.00 H new ATOM 0 HB VAL A 695 49.836 -1.279 -13.959 1.00 0.00 H new ATOM 0 HG11 VAL A 695 52.097 -0.391 -14.490 1.00 0.00 H new ATOM 0 HG12 VAL A 695 50.824 0.710 -15.068 1.00 0.00 H new ATOM 0 HG13 VAL A 695 51.724 1.094 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 695 51.738 -1.757 -12.438 1.00 0.00 H new ATOM 0 HG22 VAL A 695 51.369 -0.281 -11.515 1.00 0.00 H new ATOM 0 HG23 VAL A 695 50.209 -1.631 -11.536 1.00 0.00 H new ATOM 217 N GLY A 696 48.034 -0.396 -10.945 1.00 0.00 N ATOM 218 CA GLY A 696 46.996 -1.116 -10.209 1.00 0.00 C ATOM 219 C GLY A 696 45.844 -0.183 -9.841 1.00 0.00 C ATOM 220 O GLY A 696 46.022 1.033 -9.769 1.00 0.00 O ATOM 0 H GLY A 696 48.752 0.029 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 696 46.622 -1.942 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.421 -1.551 -9.304 1.00 0.00 H new ATOM 224 N SER A 697 44.669 -0.763 -9.591 1.00 0.00 N ATOM 225 CA SER A 697 43.537 0.007 -9.074 1.00 0.00 C ATOM 226 C SER A 697 42.478 -0.916 -8.471 1.00 0.00 C ATOM 227 O SER A 697 42.539 -2.137 -8.630 1.00 0.00 O ATOM 228 CB SER A 697 42.909 0.838 -10.200 1.00 0.00 C ATOM 229 OG SER A 697 43.196 2.212 -9.988 1.00 0.00 O ATOM 0 H SER A 697 44.477 -1.754 -9.737 1.00 0.00 H new ATOM 0 HA SER A 697 43.908 0.670 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 697 43.301 0.518 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 697 41.831 0.680 -10.226 1.00 0.00 H new ATOM 0 HG SER A 697 44.157 2.325 -9.830 1.00 0.00 H new ATOM 235 N ASN A 698 41.520 -0.319 -7.756 1.00 0.00 N ATOM 236 CA ASN A 698 40.426 -1.080 -7.150 1.00 0.00 C ATOM 237 C ASN A 698 40.959 -2.032 -6.079 1.00 0.00 C ATOM 238 O ASN A 698 42.139 -1.989 -5.728 1.00 0.00 O ATOM 239 CB ASN A 698 39.677 -1.876 -8.227 1.00 0.00 C ATOM 240 CG ASN A 698 38.218 -2.066 -7.821 1.00 0.00 C ATOM 241 OD1 ASN A 698 37.424 -1.128 -7.895 1.00 0.00 O ATOM 242 ND2 ASN A 698 37.822 -3.225 -7.369 1.00 0.00 N ATOM 0 H ASN A 698 41.481 0.686 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 698 39.738 -0.377 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 698 39.732 -1.352 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 698 40.152 -2.847 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 698 36.853 -3.354 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 698 38.481 -4.001 -7.308 1.00 0.00 H new ATOM 249 N LYS A 699 40.066 -2.849 -5.523 1.00 0.00 N ATOM 250 CA LYS A 699 40.439 -3.773 -4.456 1.00 0.00 C ATOM 251 C LYS A 699 41.480 -4.773 -4.947 1.00 0.00 C ATOM 252 O LYS A 699 42.316 -5.241 -4.175 1.00 0.00 O ATOM 253 CB LYS A 699 39.201 -4.530 -3.971 1.00 0.00 C ATOM 254 CG LYS A 699 38.168 -3.533 -3.434 1.00 0.00 C ATOM 255 CD LYS A 699 37.581 -4.054 -2.118 1.00 0.00 C ATOM 256 CE LYS A 699 36.917 -5.415 -2.350 1.00 0.00 C ATOM 257 NZ LYS A 699 37.767 -6.488 -1.762 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.083 -2.889 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 699 40.865 -3.196 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.772 -5.109 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.478 -5.239 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.635 -2.561 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 699 37.373 -3.389 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 699 38.368 -4.146 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.851 -3.344 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 699 35.926 -5.431 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 699 36.781 -5.588 -3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 37.957 -7.214 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 38.666 -6.079 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.272 -6.921 -0.956 1.00 0.00 H new ATOM 271 N GLY A 700 41.418 -5.100 -6.236 1.00 0.00 N ATOM 272 CA GLY A 700 42.301 -6.114 -6.804 1.00 0.00 C ATOM 273 C GLY A 700 43.752 -5.639 -6.803 1.00 0.00 C ATOM 274 O GLY A 700 44.677 -6.451 -6.808 1.00 0.00 O ATOM 0 H GLY A 700 40.770 -4.680 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.217 -7.037 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.990 -6.342 -7.823 1.00 0.00 H new ATOM 278 N ALA A 701 43.939 -4.332 -6.614 1.00 0.00 N ATOM 279 CA ALA A 701 45.279 -3.765 -6.513 1.00 0.00 C ATOM 280 C ALA A 701 45.980 -4.245 -5.243 1.00 0.00 C ATOM 281 O ALA A 701 47.199 -4.131 -5.121 1.00 0.00 O ATOM 282 CB ALA A 701 45.201 -2.238 -6.505 1.00 0.00 C ATOM 0 H ALA A 701 43.183 -3.652 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 701 45.854 -4.098 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.206 -1.823 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.734 -1.893 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.607 -1.908 -5.652 1.00 0.00 H new ATOM 288 N ILE A 702 45.194 -4.709 -4.271 1.00 0.00 N ATOM 289 CA ILE A 702 45.756 -5.223 -3.024 1.00 0.00 C ATOM 290 C ILE A 702 46.757 -6.340 -3.307 1.00 0.00 C ATOM 291 O ILE A 702 47.849 -6.360 -2.739 1.00 0.00 O ATOM 292 CB ILE A 702 44.633 -5.751 -2.119 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.190 -6.008 -0.712 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.070 -7.057 -2.697 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.126 -6.697 0.151 1.00 0.00 C ATOM 0 H ILE A 702 44.176 -4.739 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 702 46.274 -4.408 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 702 43.835 -5.011 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.082 -6.632 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.490 -5.066 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.274 -7.427 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.672 -6.871 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.864 -7.801 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.527 -6.877 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.246 -6.057 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.847 -7.647 -0.305 1.00 0.00 H new ATOM 307 N ILE A 703 46.451 -7.147 -4.320 1.00 0.00 N ATOM 308 CA ILE A 703 47.349 -8.219 -4.736 1.00 0.00 C ATOM 309 C ILE A 703 48.653 -7.641 -5.276 1.00 0.00 C ATOM 310 O ILE A 703 49.736 -8.072 -4.881 1.00 0.00 O ATOM 311 CB ILE A 703 46.674 -9.071 -5.819 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.446 -9.779 -5.229 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.668 -10.112 -6.344 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.562 -10.312 -6.362 1.00 0.00 C ATOM 0 H ILE A 703 45.592 -7.079 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 703 47.573 -8.843 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 703 46.357 -8.428 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.762 -10.600 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.879 -9.086 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.189 -10.717 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.535 -9.606 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.989 -10.755 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.692 -10.814 -5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.234 -9.483 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.131 -11.019 -6.965 1.00 0.00 H new ATOM 326 N GLY A 704 48.538 -6.515 -5.976 1.00 0.00 N ATOM 327 CA GLY A 704 49.707 -5.847 -6.536 1.00 0.00 C ATOM 328 C GLY A 704 50.546 -5.204 -5.435 1.00 0.00 C ATOM 329 O GLY A 704 51.777 -5.246 -5.478 1.00 0.00 O ATOM 0 H GLY A 704 47.651 -6.049 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.313 -6.566 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.389 -5.086 -7.248 1.00 0.00 H new ATOM 333 N LEU A 705 49.872 -4.726 -4.390 1.00 0.00 N ATOM 334 CA LEU A 705 50.561 -4.141 -3.244 1.00 0.00 C ATOM 335 C LEU A 705 51.214 -5.225 -2.395 1.00 0.00 C ATOM 336 O LEU A 705 52.199 -4.968 -1.703 1.00 0.00 O ATOM 337 CB LEU A 705 49.574 -3.350 -2.383 1.00 0.00 C ATOM 338 CG LEU A 705 49.051 -2.145 -3.170 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.901 -1.492 -2.397 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.179 -1.129 -3.364 1.00 0.00 C ATOM 0 H LEU A 705 48.855 -4.733 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 705 51.335 -3.472 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.743 -3.990 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.063 -3.015 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 705 48.693 -2.476 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.528 -0.634 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.097 -2.215 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.259 -1.162 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.805 -0.272 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.540 -0.796 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.997 -1.594 -3.915 1.00 0.00 H new ATOM 352 N MET A 706 50.588 -6.400 -2.359 1.00 0.00 N ATOM 353 CA MET A 706 51.095 -7.498 -1.544 1.00 0.00 C ATOM 354 C MET A 706 52.368 -8.072 -2.158 1.00 0.00 C ATOM 355 O MET A 706 53.432 -8.033 -1.539 1.00 0.00 O ATOM 356 CB MET A 706 50.039 -8.602 -1.431 1.00 0.00 C ATOM 357 CG MET A 706 50.409 -9.542 -0.279 1.00 0.00 C ATOM 358 SD MET A 706 50.051 -8.733 1.302 1.00 0.00 S ATOM 359 CE MET A 706 48.499 -9.592 1.660 1.00 0.00 C ATOM 0 H MET A 706 49.737 -6.613 -2.880 1.00 0.00 H new ATOM 0 HA MET A 706 51.322 -7.113 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.056 -8.164 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.978 -9.160 -2.365 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.846 -10.472 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.466 -9.804 -0.334 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.098 -9.238 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.780 -9.392 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.683 -10.665 1.721 1.00 0.00 H new ATOM 369 N VAL A 707 52.290 -8.405 -3.443 1.00 0.00 N ATOM 370 CA VAL A 707 53.414 -9.030 -4.131 1.00 0.00 C ATOM 371 C VAL A 707 54.520 -8.010 -4.379 1.00 0.00 C ATOM 372 O VAL A 707 55.694 -8.283 -4.118 1.00 0.00 O ATOM 373 CB VAL A 707 52.944 -9.626 -5.463 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.416 -8.511 -6.377 1.00 0.00 C ATOM 375 CG2 VAL A 707 54.117 -10.338 -6.149 1.00 0.00 C ATOM 0 H VAL A 707 51.466 -8.254 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 707 53.810 -9.827 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 707 52.144 -10.342 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.084 -8.942 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.578 -8.009 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 707 53.211 -7.789 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.782 -10.761 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 707 54.918 -9.623 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.485 -11.136 -5.505 1.00 0.00 H new ATOM 385 N GLY A 708 54.117 -6.781 -4.695 1.00 0.00 N ATOM 386 CA GLY A 708 55.073 -5.705 -4.924 1.00 0.00 C ATOM 387 C GLY A 708 55.513 -5.075 -3.604 1.00 0.00 C ATOM 388 O GLY A 708 56.399 -4.220 -3.582 1.00 0.00 O ATOM 0 H GLY A 708 53.139 -6.508 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.943 -6.093 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.624 -4.944 -5.563 1.00 0.00 H new ATOM 392 N GLY A 709 54.941 -5.556 -2.502 1.00 0.00 N ATOM 393 CA GLY A 709 55.207 -4.970 -1.192 1.00 0.00 C ATOM 394 C GLY A 709 56.530 -5.474 -0.625 1.00 0.00 C ATOM 395 O GLY A 709 56.898 -5.138 0.500 1.00 0.00 O ATOM 0 H GLY A 709 54.295 -6.345 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.233 -3.883 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.396 -5.218 -0.507 1.00 0.00 H new ATOM 399 N VAL A 710 57.235 -6.288 -1.406 1.00 0.00 N ATOM 400 CA VAL A 710 58.454 -6.935 -0.928 1.00 0.00 C ATOM 401 C VAL A 710 59.539 -5.899 -0.643 1.00 0.00 C ATOM 402 O VAL A 710 60.129 -5.896 0.437 1.00 0.00 O ATOM 403 CB VAL A 710 58.960 -7.942 -1.969 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.968 -9.107 -2.080 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.103 -7.257 -3.334 1.00 0.00 C ATOM 0 H VAL A 710 56.985 -6.515 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 710 58.221 -7.461 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 710 59.933 -8.321 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.328 -9.822 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.877 -9.601 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.994 -8.727 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.463 -7.979 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.134 -6.870 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.814 -6.434 -3.256 1.00 0.00 H new ATOM 415 N VAL A 711 59.632 -4.900 -1.518 1.00 0.00 N ATOM 416 CA VAL A 711 60.614 -3.830 -1.346 1.00 0.00 C ATOM 417 C VAL A 711 60.159 -2.856 -0.263 1.00 0.00 C ATOM 418 O VAL A 711 60.921 -2.541 0.653 1.00 0.00 O ATOM 419 CB VAL A 711 60.818 -3.072 -2.667 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.951 -3.729 -3.463 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.527 -3.100 -3.496 1.00 0.00 C ATOM 0 H VAL A 711 59.045 -4.808 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 711 61.559 -4.282 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 711 61.077 -2.036 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.096 -3.192 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.871 -3.697 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.692 -4.766 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.683 -2.560 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.257 -4.133 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.723 -2.627 -2.933 1.00 0.00 H new ATOM 431 N ILE A 712 58.867 -2.541 -0.269 1.00 0.00 N ATOM 432 CA ILE A 712 58.319 -1.583 0.686 1.00 0.00 C ATOM 433 C ILE A 712 58.289 -2.185 2.089 1.00 0.00 C ATOM 434 O ILE A 712 58.561 -1.494 3.071 1.00 0.00 O ATOM 435 CB ILE A 712 56.900 -1.178 0.265 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.961 -0.399 -1.056 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.273 -0.297 1.351 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.582 -0.395 -1.720 1.00 0.00 C ATOM 0 H ILE A 712 58.185 -2.931 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 712 58.958 -0.700 0.697 1.00 0.00 H new ATOM 0 HB ILE A 712 56.293 -2.073 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.288 0.624 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.694 -0.853 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.265 -0.010 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.228 -0.852 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.879 0.598 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.631 0.159 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.272 -1.420 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.860 0.079 -1.056 1.00 0.00 H new ATOM 450 N ALA A 713 58.132 -3.505 2.157 1.00 0.00 N ATOM 451 CA ALA A 713 58.173 -4.211 3.433 1.00 0.00 C ATOM 452 C ALA A 713 59.516 -3.997 4.122 1.00 0.00 C ATOM 453 O ALA A 713 59.572 -3.405 5.199 1.00 0.00 O ATOM 454 CB ALA A 713 57.948 -5.708 3.210 1.00 0.00 C ATOM 0 H ALA A 713 57.976 -4.104 1.347 1.00 0.00 H new ATOM 0 HA ALA A 713 57.382 -3.814 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.980 -6.227 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.975 -5.864 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.729 -6.100 2.558 1.00 0.00 H new ATOM 460 N THR A 714 60.592 -4.235 3.376 1.00 0.00 N ATOM 461 CA THR A 714 61.938 -4.133 3.932 1.00 0.00 C ATOM 462 C THR A 714 62.226 -2.701 4.375 1.00 0.00 C ATOM 463 O THR A 714 62.643 -2.474 5.510 1.00 0.00 O ATOM 464 CB THR A 714 62.975 -4.567 2.886 1.00 0.00 C ATOM 465 OG1 THR A 714 62.317 -4.942 1.685 1.00 0.00 O ATOM 466 CG2 THR A 714 63.776 -5.758 3.421 1.00 0.00 C ATOM 0 H THR A 714 60.559 -4.498 2.391 1.00 0.00 H new ATOM 0 HA THR A 714 62.003 -4.791 4.799 1.00 0.00 H new ATOM 0 HB THR A 714 63.650 -3.735 2.684 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.978 -4.141 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.512 -6.065 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.287 -5.470 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.100 -6.588 3.627 1.00 0.00 H new ATOM 474 N VAL A 715 61.764 -1.744 3.573 1.00 0.00 N ATOM 475 CA VAL A 715 61.867 -0.334 3.937 1.00 0.00 C ATOM 476 C VAL A 715 61.178 -0.075 5.274 1.00 0.00 C ATOM 477 O VAL A 715 61.805 0.398 6.222 1.00 0.00 O ATOM 478 CB VAL A 715 61.225 0.533 2.847 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.079 1.974 3.350 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.106 0.516 1.595 1.00 0.00 C ATOM 0 H VAL A 715 61.318 -1.918 2.673 1.00 0.00 H new ATOM 0 HA VAL A 715 62.922 -0.075 4.031 1.00 0.00 H new ATOM 0 HB VAL A 715 60.240 0.135 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.622 2.586 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.448 1.987 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.062 2.375 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.649 1.132 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.092 0.911 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.204 -0.507 1.233 1.00 0.00 H new ATOM 490 N ILE A 716 59.933 -0.529 5.384 1.00 0.00 N ATOM 491 CA ILE A 716 59.143 -0.298 6.589 1.00 0.00 C ATOM 492 C ILE A 716 59.736 -1.063 7.770 1.00 0.00 C ATOM 493 O ILE A 716 59.735 -0.573 8.899 1.00 0.00 O ATOM 494 CB ILE A 716 57.696 -0.750 6.356 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.055 0.109 5.254 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.894 -0.613 7.657 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.701 1.496 5.801 1.00 0.00 C ATOM 0 H ILE A 716 59.451 -1.057 4.656 1.00 0.00 H new ATOM 0 HA ILE A 716 59.158 0.768 6.817 1.00 0.00 H new ATOM 0 HB ILE A 716 57.692 -1.794 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.742 0.206 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.157 -0.381 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.867 -0.935 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.346 -1.234 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.899 0.428 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.248 2.094 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.997 1.393 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.606 1.989 6.156 1.00 0.00 H new ATOM 509 N VAL A 717 60.243 -2.262 7.497 1.00 0.00 N ATOM 510 CA VAL A 717 60.780 -3.118 8.549 1.00 0.00 C ATOM 511 C VAL A 717 61.911 -2.409 9.288 1.00 0.00 C ATOM 512 O VAL A 717 61.858 -2.250 10.508 1.00 0.00 O ATOM 513 CB VAL A 717 61.303 -4.426 7.940 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.070 -5.222 9.002 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.125 -5.261 7.427 1.00 0.00 C ATOM 0 H VAL A 717 60.293 -2.661 6.560 1.00 0.00 H new ATOM 0 HA VAL A 717 59.982 -3.341 9.257 1.00 0.00 H new ATOM 0 HB VAL A 717 61.972 -4.193 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.439 -6.150 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.912 -4.631 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.405 -5.453 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.498 -6.190 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.454 -5.490 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.584 -4.698 6.666 1.00 0.00 H new ATOM 525 N ILE A 718 62.822 -1.821 8.519 1.00 0.00 N ATOM 526 CA ILE A 718 63.962 -1.116 9.097 1.00 0.00 C ATOM 527 C ILE A 718 63.489 0.112 9.876 1.00 0.00 C ATOM 528 O ILE A 718 64.020 0.419 10.943 1.00 0.00 O ATOM 529 CB ILE A 718 64.933 -0.699 7.976 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.003 -1.783 7.790 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.620 0.626 8.334 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.342 -3.113 7.415 1.00 0.00 C ATOM 0 H ILE A 718 62.794 -1.818 7.499 1.00 0.00 H new ATOM 0 HA ILE A 718 64.480 -1.781 9.788 1.00 0.00 H new ATOM 0 HB ILE A 718 64.367 -0.574 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.704 -1.484 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.578 -1.899 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.303 0.909 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.867 1.404 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.178 0.507 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.109 -3.877 7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.659 -3.416 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.787 -2.994 6.484 1.00 0.00 H new ATOM 544 N THR A 719 62.395 0.715 9.414 1.00 0.00 N ATOM 545 CA THR A 719 61.789 1.834 10.128 1.00 0.00 C ATOM 546 C THR A 719 61.206 1.365 11.458 1.00 0.00 C ATOM 547 O THR A 719 61.543 1.905 12.512 1.00 0.00 O ATOM 548 CB THR A 719 60.678 2.462 9.277 1.00 0.00 C ATOM 549 OG1 THR A 719 61.003 2.336 7.901 1.00 0.00 O ATOM 550 CG2 THR A 719 60.536 3.946 9.633 1.00 0.00 C ATOM 0 H THR A 719 61.914 0.449 8.555 1.00 0.00 H new ATOM 0 HA THR A 719 62.562 2.578 10.321 1.00 0.00 H new ATOM 0 HB THR A 719 59.738 1.948 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.291 2.736 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.746 4.391 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.283 4.044 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.477 4.459 9.436 1.00 0.00 H new ATOM 558 N LEU A 720 60.532 0.219 11.417 1.00 0.00 N ATOM 559 CA LEU A 720 59.836 -0.297 12.591 1.00 0.00 C ATOM 560 C LEU A 720 60.835 -0.755 13.649 1.00 0.00 C ATOM 561 O LEU A 720 60.496 -0.852 14.829 1.00 0.00 O ATOM 562 CB LEU A 720 58.943 -1.475 12.185 1.00 0.00 C ATOM 563 CG LEU A 720 57.467 -1.080 12.316 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.132 0.023 11.303 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.589 -2.306 12.049 1.00 0.00 C ATOM 0 H LEU A 720 60.453 -0.368 10.587 1.00 0.00 H new ATOM 0 HA LEU A 720 59.223 0.501 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.160 -1.770 11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.155 -2.338 12.816 1.00 0.00 H new ATOM 0 HG LEU A 720 57.280 -0.708 13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.082 0.300 11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.757 0.895 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.319 -0.342 10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.539 -2.029 12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.779 -2.677 11.042 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.823 -3.086 12.773 1.00 0.00 H new ATOM 577 N VAL A 721 62.007 -1.194 13.194 1.00 0.00 N ATOM 578 CA VAL A 721 63.080 -1.578 14.108 1.00 0.00 C ATOM 579 C VAL A 721 63.483 -0.394 14.983 1.00 0.00 C ATOM 580 O VAL A 721 63.509 -0.507 16.210 1.00 0.00 O ATOM 581 CB VAL A 721 64.293 -2.074 13.310 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.519 -2.149 14.227 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.998 -3.465 12.742 1.00 0.00 C ATOM 0 H VAL A 721 62.237 -1.292 12.205 1.00 0.00 H new ATOM 0 HA VAL A 721 62.720 -2.381 14.751 1.00 0.00 H new ATOM 0 HB VAL A 721 64.493 -1.381 12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.379 -2.502 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.733 -1.159 14.631 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.319 -2.840 15.046 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.860 -3.817 12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.795 -4.156 13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.129 -3.413 12.086 1.00 0.00 H new ATOM 593 N MET A 722 63.557 0.781 14.367 1.00 0.00 N ATOM 594 CA MET A 722 63.984 1.980 15.078 1.00 0.00 C ATOM 595 C MET A 722 62.870 2.486 15.987 1.00 0.00 C ATOM 596 O MET A 722 63.130 2.932 17.104 1.00 0.00 O ATOM 597 CB MET A 722 64.364 3.070 14.074 1.00 0.00 C ATOM 598 CG MET A 722 65.387 4.013 14.710 1.00 0.00 C ATOM 599 SD MET A 722 67.020 3.234 14.686 1.00 0.00 S ATOM 600 CE MET A 722 67.997 4.742 14.907 1.00 0.00 C ATOM 0 H MET A 722 63.329 0.928 13.384 1.00 0.00 H new ATOM 0 HA MET A 722 64.851 1.732 15.690 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.779 2.620 13.172 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.477 3.628 13.773 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.415 4.957 14.166 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.097 4.244 15.735 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.057 4.490 14.922 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.799 5.428 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.724 5.217 15.849 1.00 0.00 H new ATOM 610 N LEU A 723 61.628 2.271 15.562 1.00 0.00 N ATOM 611 CA LEU A 723 60.474 2.690 16.351 1.00 0.00 C ATOM 612 C LEU A 723 60.211 1.703 17.482 1.00 0.00 C ATOM 613 O LEU A 723 60.524 1.986 18.639 1.00 0.00 O ATOM 614 CB LEU A 723 59.235 2.786 15.458 1.00 0.00 C ATOM 615 CG LEU A 723 59.464 3.841 14.375 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.322 3.778 13.361 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.508 5.234 15.012 1.00 0.00 C ATOM 0 H LEU A 723 61.396 1.812 14.681 1.00 0.00 H new ATOM 0 HA LEU A 723 60.689 3.669 16.780 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.029 1.819 15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.362 3.048 16.056 1.00 0.00 H new ATOM 0 HG LEU A 723 60.412 3.647 13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.481 4.529 12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.294 2.788 12.906 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.376 3.973 13.866 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.671 5.983 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.562 5.434 15.516 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.322 5.277 15.736 1.00 0.00 H new ATOM 629 N LYS A 724 59.833 0.480 17.107 1.00 0.00 N ATOM 630 CA LYS A 724 59.561 -0.577 18.081 1.00 0.00 C ATOM 631 C LYS A 724 58.282 -0.280 18.860 1.00 0.00 C ATOM 632 O LYS A 724 57.393 -1.126 18.956 1.00 0.00 O ATOM 633 CB LYS A 724 60.738 -0.723 19.057 1.00 0.00 C ATOM 634 CG LYS A 724 60.901 -2.193 19.455 1.00 0.00 C ATOM 635 CD LYS A 724 61.756 -2.294 20.722 1.00 0.00 C ATOM 636 CE LYS A 724 62.161 -3.754 20.955 1.00 0.00 C ATOM 637 NZ LYS A 724 63.598 -3.933 20.600 1.00 0.00 N1+ ATOM 0 H LYS A 724 59.708 0.197 16.135 1.00 0.00 H new ATOM 0 HA LYS A 724 59.431 -1.512 17.535 1.00 0.00 H new ATOM 0 HB2 LYS A 724 61.655 -0.358 18.593 1.00 0.00 H new ATOM 0 HB3 LYS A 724 60.565 -0.113 19.944 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.924 -2.643 19.628 1.00 0.00 H new ATOM 0 HG3 LYS A 724 61.370 -2.750 18.643 1.00 0.00 H new ATOM 0 HD2 LYS A 724 62.645 -1.671 20.623 1.00 0.00 H new ATOM 0 HD3 LYS A 724 61.198 -1.920 21.580 1.00 0.00 H new ATOM 0 HE2 LYS A 724 61.996 -4.027 21.997 1.00 0.00 H new ATOM 0 HE3 LYS A 724 61.541 -4.416 20.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 63.874 -4.923 20.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 63.741 -3.689 19.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 64.183 -3.312 21.195 1.00 0.00 H new ATOM 651 N LYS A 725 58.218 0.910 19.452 1.00 0.00 N ATOM 652 CA LYS A 725 57.054 1.308 20.236 1.00 0.00 C ATOM 653 C LYS A 725 55.809 1.368 19.355 1.00 0.00 C ATOM 654 O LYS A 725 55.894 1.693 18.170 1.00 0.00 O ATOM 655 CB LYS A 725 57.297 2.678 20.871 1.00 0.00 C ATOM 656 CG LYS A 725 58.441 2.581 21.887 1.00 0.00 C ATOM 657 CD LYS A 725 58.959 3.986 22.214 1.00 0.00 C ATOM 658 CE LYS A 725 60.123 4.339 21.283 1.00 0.00 C ATOM 659 NZ LYS A 725 61.343 3.592 21.701 1.00 0.00 N1+ ATOM 0 H LYS A 725 58.956 1.612 19.404 1.00 0.00 H new ATOM 0 HA LYS A 725 56.896 0.567 21.019 1.00 0.00 H new ATOM 0 HB2 LYS A 725 57.543 3.408 20.100 1.00 0.00 H new ATOM 0 HB3 LYS A 725 56.389 3.028 21.363 1.00 0.00 H new ATOM 0 HG2 LYS A 725 58.093 2.090 22.796 1.00 0.00 H new ATOM 0 HG3 LYS A 725 59.248 1.970 21.484 1.00 0.00 H new ATOM 0 HD2 LYS A 725 58.157 4.715 22.101 1.00 0.00 H new ATOM 0 HD3 LYS A 725 59.286 4.031 23.253 1.00 0.00 H new ATOM 0 HE2 LYS A 725 59.867 4.089 20.253 1.00 0.00 H new ATOM 0 HE3 LYS A 725 60.313 5.412 21.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 62.188 4.071 21.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 61.392 3.561 22.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 61.302 2.622 21.327 1.00 0.00 H new ATOM 673 N LYS A 726 54.674 0.958 19.918 1.00 0.00 N ATOM 674 CA LYS A 726 53.427 0.903 19.159 1.00 0.00 C ATOM 675 C LYS A 726 52.252 1.367 20.015 1.00 0.00 C ATOM 676 O LYS A 726 52.262 1.211 21.237 1.00 0.00 O ATOM 677 CB LYS A 726 53.173 -0.526 18.666 1.00 0.00 C ATOM 678 CG LYS A 726 53.138 -1.495 19.856 1.00 0.00 C ATOM 679 CD LYS A 726 51.790 -2.225 19.884 1.00 0.00 C ATOM 680 CE LYS A 726 51.726 -3.150 21.104 1.00 0.00 C ATOM 681 NZ LYS A 726 50.510 -2.836 21.906 1.00 0.00 N1+ ATOM 0 H LYS A 726 54.592 0.661 20.890 1.00 0.00 H new ATOM 0 HA LYS A 726 53.520 1.570 18.302 1.00 0.00 H new ATOM 0 HB2 LYS A 726 52.229 -0.570 18.123 1.00 0.00 H new ATOM 0 HB3 LYS A 726 53.956 -0.823 17.968 1.00 0.00 H new ATOM 0 HG2 LYS A 726 53.952 -2.216 19.775 1.00 0.00 H new ATOM 0 HG3 LYS A 726 53.287 -0.949 20.787 1.00 0.00 H new ATOM 0 HD2 LYS A 726 50.975 -1.502 19.921 1.00 0.00 H new ATOM 0 HD3 LYS A 726 51.661 -2.804 18.970 1.00 0.00 H new ATOM 0 HE2 LYS A 726 51.703 -4.191 20.783 1.00 0.00 H new ATOM 0 HE3 LYS A 726 52.620 -3.025 21.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 50.111 -3.716 22.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 50.765 -2.200 22.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 49.804 -2.372 21.299 1.00 0.00 H new ATOM 695 N GLN A 727 51.201 1.844 19.353 1.00 0.00 N ATOM 696 CA GLN A 727 49.995 2.281 20.053 1.00 0.00 C ATOM 697 C GLN A 727 49.049 1.097 20.278 1.00 0.00 C ATOM 698 O GLN A 727 49.413 0.133 20.952 1.00 0.00 O ATOM 699 CB GLN A 727 49.298 3.386 19.250 1.00 0.00 C ATOM 700 CG GLN A 727 49.131 2.944 17.789 1.00 0.00 C ATOM 701 CD GLN A 727 47.705 3.213 17.318 1.00 0.00 C ATOM 702 OE1 GLN A 727 47.309 4.368 17.162 1.00 0.00 O ATOM 703 NE2 GLN A 727 46.919 2.207 17.047 1.00 0.00 N ATOM 0 H GLN A 727 51.159 1.938 18.338 1.00 0.00 H new ATOM 0 HA GLN A 727 50.276 2.681 21.027 1.00 0.00 H new ATOM 0 HB2 GLN A 727 48.324 3.605 19.686 1.00 0.00 H new ATOM 0 HB3 GLN A 727 49.882 4.305 19.297 1.00 0.00 H new ATOM 0 HG2 GLN A 727 49.838 3.480 17.156 1.00 0.00 H new ATOM 0 HG3 GLN A 727 49.359 1.882 17.694 1.00 0.00 H new ATOM 0 HE21 GLN A 727 47.251 1.251 17.177 1.00 0.00 H new ATOM 0 HE22 GLN A 727 45.973 2.377 16.705 1.00 0.00 H new ATOM 712 N TYR A 728 47.796 1.236 19.837 1.00 0.00 N ATOM 713 CA TYR A 728 46.818 0.154 19.960 1.00 0.00 C ATOM 714 C TYR A 728 46.614 -0.223 21.427 1.00 0.00 C ATOM 715 O TYR A 728 46.549 0.642 22.299 1.00 0.00 O ATOM 716 CB TYR A 728 47.291 -1.074 19.166 1.00 0.00 C ATOM 717 CG TYR A 728 46.484 -2.290 19.570 1.00 0.00 C ATOM 718 CD1 TYR A 728 45.235 -2.531 18.986 1.00 0.00 C ATOM 719 CD2 TYR A 728 47.022 -3.220 20.469 1.00 0.00 C ATOM 720 CE1 TYR A 728 44.483 -3.645 19.379 1.00 0.00 C ATOM 721 CE2 TYR A 728 46.232 -4.277 20.935 1.00 0.00 C ATOM 722 CZ TYR A 728 44.965 -4.495 20.382 1.00 0.00 C ATOM 723 OH TYR A 728 44.202 -5.566 20.804 1.00 0.00 O ATOM 0 H TYR A 728 47.437 2.082 19.394 1.00 0.00 H new ATOM 0 HA TYR A 728 45.867 0.500 19.555 1.00 0.00 H new ATOM 0 HB2 TYR A 728 47.180 -0.892 18.097 1.00 0.00 H new ATOM 0 HB3 TYR A 728 48.350 -1.252 19.351 1.00 0.00 H new ATOM 0 HD1 TYR A 728 44.852 -1.858 18.233 1.00 0.00 H new ATOM 0 HD2 TYR A 728 48.045 -3.121 20.802 1.00 0.00 H new ATOM 0 HE1 TYR A 728 43.532 -3.848 18.909 1.00 0.00 H new ATOM 0 HE2 TYR A 728 46.599 -4.923 21.719 1.00 0.00 H new ATOM 0 HH TYR A 728 44.683 -6.055 21.504 1.00 0.00 H new TER 733 TYR A 728