USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=6 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 Single : A 684 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.4) USER MOD Single : A 685 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.66) USER MOD Single : A 686 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 687 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0138) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.78) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 719 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -158:sc= -0.0134 (180deg=-0.157) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 57.388 25.268 1.038 1.00 0.00 N ATOM 2 CA VAL A 683 57.525 24.291 2.116 1.00 0.00 C ATOM 3 C VAL A 683 57.041 22.917 1.659 1.00 0.00 C ATOM 4 O VAL A 683 56.330 22.801 0.661 1.00 0.00 O ATOM 5 CB VAL A 683 56.716 24.740 3.340 1.00 0.00 C ATOM 6 CG1 VAL A 683 57.322 26.025 3.912 1.00 0.00 C ATOM 7 CG2 VAL A 683 55.258 24.996 2.934 1.00 0.00 C ATOM 0 HA VAL A 683 58.579 24.222 2.385 1.00 0.00 H new ATOM 0 HB VAL A 683 56.746 23.956 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 683 56.747 26.343 4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 683 58.355 25.840 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 683 57.297 26.808 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 683 54.688 25.315 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 683 55.224 25.776 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 683 54.826 24.079 2.533 1.00 0.00 H new ATOM 16 N HIS A 684 57.353 21.893 2.452 1.00 0.00 N ATOM 17 CA HIS A 684 56.987 20.522 2.103 1.00 0.00 C ATOM 18 C HIS A 684 56.500 19.765 3.337 1.00 0.00 C ATOM 19 O HIS A 684 56.228 18.566 3.266 1.00 0.00 O ATOM 20 CB HIS A 684 58.194 19.798 1.499 1.00 0.00 C ATOM 21 CG HIS A 684 58.643 20.521 0.259 1.00 0.00 C ATOM 22 ND1 HIS A 684 59.666 21.456 0.287 1.00 0.00 N ATOM 23 CD2 HIS A 684 58.075 20.636 -0.987 1.00 0.00 C ATOM 24 CE1 HIS A 684 59.814 21.928 -0.963 1.00 0.00 C ATOM 25 NE2 HIS A 684 58.810 21.537 -1.752 1.00 0.00 N ATOM 0 H HIS A 684 57.855 21.986 3.335 1.00 0.00 H new ATOM 0 HA HIS A 684 56.180 20.556 1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 684 59.007 19.757 2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 684 57.930 18.768 1.257 1.00 0.00 H new ATOM 0 HD2 HIS A 684 57.194 20.108 -1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 684 60.639 22.544 -1.288 1.00 0.00 H new ATOM 0 HE2 HIS A 684 58.622 21.835 -2.709 1.00 0.00 H new ATOM 33 N HIS A 685 56.180 20.515 4.390 1.00 0.00 N ATOM 34 CA HIS A 685 55.761 19.908 5.650 1.00 0.00 C ATOM 35 C HIS A 685 54.345 19.343 5.526 1.00 0.00 C ATOM 36 O HIS A 685 53.844 18.696 6.447 1.00 0.00 O ATOM 37 CB HIS A 685 55.824 20.949 6.776 1.00 0.00 C ATOM 38 CG HIS A 685 54.503 21.665 6.903 1.00 0.00 C ATOM 39 ND1 HIS A 685 53.674 21.490 7.999 1.00 0.00 N ATOM 40 CD2 HIS A 685 53.789 22.439 6.019 1.00 0.00 C ATOM 41 CE1 HIS A 685 52.584 22.252 7.808 1.00 0.00 C ATOM 42 NE2 HIS A 685 52.564 22.784 6.584 1.00 0.00 N ATOM 0 H HIS A 685 56.203 21.535 4.396 1.00 0.00 H new ATOM 0 HA HIS A 685 56.438 19.087 5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 685 56.072 20.461 7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 685 56.617 21.668 6.571 1.00 0.00 H new ATOM 0 HD2 HIS A 685 54.127 22.734 5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 685 51.819 22.414 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 685 51.814 23.326 6.155 1.00 0.00 H new ATOM 50 N GLN A 686 53.684 19.660 4.415 1.00 0.00 N ATOM 51 CA GLN A 686 52.336 19.164 4.159 1.00 0.00 C ATOM 52 C GLN A 686 52.167 18.825 2.681 1.00 0.00 C ATOM 53 O GLN A 686 52.187 19.715 1.829 1.00 0.00 O ATOM 54 CB GLN A 686 51.306 20.221 4.568 1.00 0.00 C ATOM 55 CG GLN A 686 49.903 19.602 4.567 1.00 0.00 C ATOM 56 CD GLN A 686 48.848 20.698 4.685 1.00 0.00 C ATOM 57 OE1 GLN A 686 47.899 20.735 3.901 1.00 0.00 O ATOM 58 NE2 GLN A 686 48.976 21.616 5.603 1.00 0.00 N ATOM 0 H GLN A 686 54.060 20.258 3.679 1.00 0.00 H new ATOM 0 HA GLN A 686 52.179 18.260 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 686 51.542 20.609 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 686 51.343 21.064 3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 686 49.748 19.034 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 686 49.805 18.901 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 686 49.763 21.583 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 686 48.289 22.367 5.673 1.00 0.00 H new ATOM 67 N LYS A 687 52.208 17.531 2.375 1.00 0.00 N ATOM 68 CA LYS A 687 52.092 17.074 0.992 1.00 0.00 C ATOM 69 C LYS A 687 50.628 16.882 0.610 1.00 0.00 C ATOM 70 O LYS A 687 49.817 16.461 1.437 1.00 0.00 O ATOM 71 CB LYS A 687 52.843 15.752 0.812 1.00 0.00 C ATOM 72 CG LYS A 687 54.234 15.856 1.447 1.00 0.00 C ATOM 73 CD LYS A 687 55.167 14.827 0.803 1.00 0.00 C ATOM 74 CE LYS A 687 56.428 14.669 1.657 1.00 0.00 C ATOM 75 NZ LYS A 687 56.143 13.758 2.801 1.00 0.00 N1+ ATOM 0 H LYS A 687 52.320 16.784 3.061 1.00 0.00 H new ATOM 0 HA LYS A 687 52.529 17.833 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 687 52.282 14.939 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 687 52.934 15.516 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 687 54.634 16.861 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 687 54.169 15.682 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 687 54.657 13.868 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 687 55.436 15.145 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 687 57.241 14.267 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 687 56.755 15.641 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 56.702 14.052 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 55.131 13.801 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 56.397 12.784 2.541 1.00 0.00 H new ATOM 89 N LEU A 688 50.355 16.961 -0.689 1.00 0.00 N ATOM 90 CA LEU A 688 48.991 16.822 -1.189 1.00 0.00 C ATOM 91 C LEU A 688 48.673 15.358 -1.484 1.00 0.00 C ATOM 92 O LEU A 688 47.507 14.981 -1.610 1.00 0.00 O ATOM 93 CB LEU A 688 48.812 17.648 -2.467 1.00 0.00 C ATOM 94 CG LEU A 688 49.335 19.073 -2.247 1.00 0.00 C ATOM 95 CD1 LEU A 688 49.157 19.887 -3.534 1.00 0.00 C ATOM 96 CD2 LEU A 688 48.556 19.741 -1.108 1.00 0.00 C ATOM 0 H LEU A 688 51.057 17.120 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 688 48.308 17.186 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 688 49.348 17.178 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 688 47.759 17.677 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 688 50.392 19.032 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 688 49.528 20.900 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 688 49.716 19.416 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 688 48.100 19.925 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 688 48.931 20.753 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 688 47.498 19.781 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 688 48.685 19.164 -0.192 1.00 0.00 H new ATOM 108 N VAL A 689 49.720 14.558 -1.675 1.00 0.00 N ATOM 109 CA VAL A 689 49.548 13.136 -1.968 1.00 0.00 C ATOM 110 C VAL A 689 48.916 12.412 -0.782 1.00 0.00 C ATOM 111 O VAL A 689 48.384 11.310 -0.932 1.00 0.00 O ATOM 112 CB VAL A 689 50.907 12.501 -2.296 1.00 0.00 C ATOM 113 CG1 VAL A 689 51.530 13.218 -3.498 1.00 0.00 C ATOM 114 CG2 VAL A 689 51.841 12.618 -1.086 1.00 0.00 C ATOM 0 H VAL A 689 50.691 14.867 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 689 48.885 13.041 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 689 50.763 11.448 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 689 52.495 12.767 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 689 50.869 13.125 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 689 51.670 14.272 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 689 52.804 12.166 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 689 51.985 13.670 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 689 51.399 12.102 -0.234 1.00 0.00 H new ATOM 124 N PHE A 690 48.835 13.107 0.350 1.00 0.00 N ATOM 125 CA PHE A 690 48.224 12.542 1.549 1.00 0.00 C ATOM 126 C PHE A 690 46.718 12.372 1.362 1.00 0.00 C ATOM 127 O PHE A 690 46.069 11.653 2.121 1.00 0.00 O ATOM 128 CB PHE A 690 48.493 13.461 2.743 1.00 0.00 C ATOM 129 CG PHE A 690 48.257 12.703 4.030 1.00 0.00 C ATOM 130 CD1 PHE A 690 49.226 11.813 4.508 1.00 0.00 C ATOM 131 CD2 PHE A 690 47.096 12.941 4.778 1.00 0.00 C ATOM 132 CE1 PHE A 690 48.990 11.087 5.681 1.00 0.00 C ATOM 133 CE2 PHE A 690 46.855 12.205 5.944 1.00 0.00 C ATOM 134 CZ PHE A 690 47.807 11.288 6.403 1.00 0.00 C ATOM 0 H PHE A 690 49.184 14.059 0.462 1.00 0.00 H new ATOM 0 HA PHE A 690 48.663 11.561 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 690 49.519 13.828 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 690 47.841 14.333 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 690 50.155 11.687 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 690 46.389 13.691 4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 690 49.720 10.372 6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 690 45.934 12.345 6.490 1.00 0.00 H new ATOM 0 HZ PHE A 690 47.630 10.735 7.314 1.00 0.00 H new ATOM 144 N PHE A 691 46.179 12.994 0.314 1.00 0.00 N ATOM 145 CA PHE A 691 44.764 12.848 -0.013 1.00 0.00 C ATOM 146 C PHE A 691 44.550 11.676 -0.968 1.00 0.00 C ATOM 147 O PHE A 691 43.564 11.642 -1.710 1.00 0.00 O ATOM 148 CB PHE A 691 44.244 14.139 -0.655 1.00 0.00 C ATOM 149 CG PHE A 691 44.177 15.232 0.387 1.00 0.00 C ATOM 150 CD1 PHE A 691 43.179 15.204 1.369 1.00 0.00 C ATOM 151 CD2 PHE A 691 45.058 16.319 0.322 1.00 0.00 C ATOM 152 CE1 PHE A 691 43.164 16.172 2.379 1.00 0.00 C ATOM 153 CE2 PHE A 691 45.034 17.297 1.323 1.00 0.00 C ATOM 154 CZ PHE A 691 44.071 17.238 2.338 1.00 0.00 C ATOM 0 H PHE A 691 46.699 13.601 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 691 44.214 12.652 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 691 44.900 14.441 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 691 43.256 13.971 -1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 691 42.421 14.435 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 691 45.755 16.402 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 691 42.454 16.097 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 691 45.759 18.098 1.313 1.00 0.00 H new ATOM 0 HZ PHE A 691 44.028 18.014 3.088 1.00 0.00 H new ATOM 164 N ALA A 692 45.362 10.634 -0.803 1.00 0.00 N ATOM 165 CA ALA A 692 45.209 9.418 -1.597 1.00 0.00 C ATOM 166 C ALA A 692 44.036 8.582 -1.087 1.00 0.00 C ATOM 167 O ALA A 692 43.580 7.662 -1.767 1.00 0.00 O ATOM 168 CB ALA A 692 46.498 8.590 -1.532 1.00 0.00 C ATOM 0 H ALA A 692 46.128 10.607 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 692 45.009 9.704 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 692 46.379 7.684 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 692 47.327 9.176 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 692 46.705 8.320 -0.496 1.00 0.00 H new ATOM 174 N GLU A 693 43.471 8.997 0.045 1.00 0.00 N ATOM 175 CA GLU A 693 42.337 8.293 0.633 1.00 0.00 C ATOM 176 C GLU A 693 41.112 8.385 -0.276 1.00 0.00 C ATOM 177 O GLU A 693 40.285 7.473 -0.306 1.00 0.00 O ATOM 178 CB GLU A 693 42.006 8.898 2.004 1.00 0.00 C ATOM 179 CG GLU A 693 43.160 8.636 2.978 1.00 0.00 C ATOM 180 CD GLU A 693 43.216 9.739 4.034 1.00 0.00 C ATOM 181 OE1 GLU A 693 43.881 10.734 3.791 1.00 0.00 O ATOM 182 OE2 GLU A 693 42.590 9.575 5.068 1.00 0.00 O1- ATOM 0 H GLU A 693 43.780 9.815 0.571 1.00 0.00 H new ATOM 0 HA GLU A 693 42.606 7.243 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 693 41.836 9.970 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 693 41.085 8.463 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 693 43.027 7.667 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 693 44.103 8.595 2.434 1.00 0.00 H new ATOM 189 N ASP A 694 41.116 9.383 -1.160 1.00 0.00 N ATOM 190 CA ASP A 694 40.018 9.567 -2.106 1.00 0.00 C ATOM 191 C ASP A 694 40.069 8.512 -3.206 1.00 0.00 C ATOM 192 O ASP A 694 39.033 8.107 -3.733 1.00 0.00 O ATOM 193 CB ASP A 694 40.104 10.960 -2.736 1.00 0.00 C ATOM 194 CG ASP A 694 38.707 11.456 -3.106 1.00 0.00 C ATOM 195 OD1 ASP A 694 38.101 10.861 -3.982 1.00 0.00 O ATOM 196 OD2 ASP A 694 38.274 12.436 -2.523 1.00 0.00 O1- ATOM 0 H ASP A 694 41.863 10.072 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 694 39.078 9.464 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 694 40.572 11.655 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 694 40.734 10.927 -3.625 1.00 0.00 H new ATOM 201 N VAL A 695 41.282 8.189 -3.648 1.00 0.00 N ATOM 202 CA VAL A 695 41.467 7.188 -4.693 1.00 0.00 C ATOM 203 C VAL A 695 40.757 5.891 -4.319 1.00 0.00 C ATOM 204 O VAL A 695 39.763 5.516 -4.942 1.00 0.00 O ATOM 205 CB VAL A 695 42.964 6.919 -4.896 1.00 0.00 C ATOM 206 CG1 VAL A 695 43.152 5.800 -5.928 1.00 0.00 C ATOM 207 CG2 VAL A 695 43.654 8.192 -5.400 1.00 0.00 C ATOM 0 H VAL A 695 42.147 8.604 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 695 41.038 7.568 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 695 43.405 6.617 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 695 44.216 5.611 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 695 42.667 4.891 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 695 42.707 6.101 -6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 695 44.717 7.997 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 695 43.210 8.496 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 695 43.526 8.989 -4.668 1.00 0.00 H new ATOM 217 N GLY A 696 41.197 5.278 -3.223 1.00 0.00 N ATOM 218 CA GLY A 696 40.518 4.102 -2.693 1.00 0.00 C ATOM 219 C GLY A 696 40.519 2.968 -3.714 1.00 0.00 C ATOM 220 O GLY A 696 41.264 3.010 -4.694 1.00 0.00 O ATOM 0 H GLY A 696 42.014 5.574 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 696 41.011 3.774 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 696 39.492 4.358 -2.428 1.00 0.00 H new ATOM 224 N SER A 697 39.573 2.044 -3.564 1.00 0.00 N ATOM 225 CA SER A 697 39.266 1.092 -4.630 1.00 0.00 C ATOM 226 C SER A 697 40.527 0.340 -5.057 1.00 0.00 C ATOM 227 O SER A 697 40.868 0.305 -6.240 1.00 0.00 O ATOM 228 CB SER A 697 38.667 1.832 -5.831 1.00 0.00 C ATOM 229 OG SER A 697 37.554 2.600 -5.403 1.00 0.00 O ATOM 0 H SER A 697 39.009 1.934 -2.721 1.00 0.00 H new ATOM 0 HA SER A 697 38.542 0.369 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 697 39.417 2.480 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 697 38.358 1.118 -6.595 1.00 0.00 H new ATOM 0 HG SER A 697 37.170 3.075 -6.169 1.00 0.00 H new ATOM 235 N ASN A 698 41.317 -0.063 -4.065 1.00 0.00 N ATOM 236 CA ASN A 698 42.608 -0.689 -4.327 1.00 0.00 C ATOM 237 C ASN A 698 42.706 -2.031 -3.607 1.00 0.00 C ATOM 238 O ASN A 698 43.732 -2.710 -3.689 1.00 0.00 O ATOM 239 CB ASN A 698 43.736 0.232 -3.853 1.00 0.00 C ATOM 240 CG ASN A 698 43.790 1.487 -4.721 1.00 0.00 C ATOM 241 OD1 ASN A 698 43.898 2.597 -4.202 1.00 0.00 O ATOM 242 ND2 ASN A 698 43.777 1.371 -6.021 1.00 0.00 N ATOM 0 H ASN A 698 41.086 0.033 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 698 42.702 -0.858 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 698 43.576 0.508 -2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 698 44.690 -0.294 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 698 43.856 2.201 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 698 43.687 0.450 -6.450 1.00 0.00 H new ATOM 249 N LYS A 699 41.580 -2.482 -3.060 1.00 0.00 N ATOM 250 CA LYS A 699 41.541 -3.751 -2.336 1.00 0.00 C ATOM 251 C LYS A 699 41.899 -4.908 -3.263 1.00 0.00 C ATOM 252 O LYS A 699 42.622 -5.825 -2.872 1.00 0.00 O ATOM 253 CB LYS A 699 40.141 -3.978 -1.757 1.00 0.00 C ATOM 254 CG LYS A 699 39.793 -2.855 -0.771 1.00 0.00 C ATOM 255 CD LYS A 699 39.645 -3.435 0.640 1.00 0.00 C ATOM 256 CE LYS A 699 38.436 -4.375 0.690 1.00 0.00 C ATOM 257 NZ LYS A 699 37.390 -3.797 1.579 1.00 0.00 N1+ ATOM 0 H LYS A 699 40.687 -1.991 -3.103 1.00 0.00 H new ATOM 0 HA LYS A 699 42.269 -3.708 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.406 -4.008 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 699 40.099 -4.943 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.573 -2.094 -0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.867 -2.367 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 699 40.550 -3.976 0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 699 39.521 -2.629 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 699 38.035 -4.521 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 699 38.740 -5.355 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 36.570 -4.436 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 37.776 -3.679 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.093 -2.872 1.209 1.00 0.00 H new ATOM 271 N GLY A 700 41.256 -4.940 -4.428 1.00 0.00 N ATOM 272 CA GLY A 700 41.579 -5.934 -5.447 1.00 0.00 C ATOM 273 C GLY A 700 43.010 -5.760 -5.941 1.00 0.00 C ATOM 274 O GLY A 700 43.817 -6.685 -5.849 1.00 0.00 O ATOM 0 H GLY A 700 40.512 -4.292 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.451 -6.936 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 700 40.887 -5.841 -6.284 1.00 0.00 H new ATOM 278 N ALA A 701 43.373 -4.514 -6.235 1.00 0.00 N ATOM 279 CA ALA A 701 44.657 -4.226 -6.866 1.00 0.00 C ATOM 280 C ALA A 701 45.808 -4.466 -5.889 1.00 0.00 C ATOM 281 O ALA A 701 46.954 -4.641 -6.303 1.00 0.00 O ATOM 282 CB ALA A 701 44.685 -2.772 -7.343 1.00 0.00 C ATOM 0 H ALA A 701 42.799 -3.692 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 701 44.779 -4.894 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.646 -2.562 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.884 -2.610 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.545 -2.107 -6.491 1.00 0.00 H new ATOM 288 N ILE A 702 45.462 -4.653 -4.615 1.00 0.00 N ATOM 289 CA ILE A 702 46.468 -4.842 -3.574 1.00 0.00 C ATOM 290 C ILE A 702 47.226 -6.150 -3.796 1.00 0.00 C ATOM 291 O ILE A 702 48.427 -6.224 -3.543 1.00 0.00 O ATOM 292 CB ILE A 702 45.789 -4.839 -2.191 1.00 0.00 C ATOM 293 CG1 ILE A 702 46.676 -4.109 -1.171 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.530 -6.277 -1.717 1.00 0.00 C ATOM 295 CD1 ILE A 702 48.024 -4.824 -1.025 1.00 0.00 C ATOM 0 H ILE A 702 44.498 -4.677 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 702 47.185 -4.022 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 702 44.835 -4.319 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.836 -3.079 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 702 46.172 -4.068 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.050 -6.257 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.879 -6.783 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.477 -6.813 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 702 48.640 -4.294 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 702 47.859 -5.846 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 702 48.533 -4.841 -1.989 1.00 0.00 H new ATOM 307 N ILE A 703 46.569 -7.098 -4.462 1.00 0.00 N ATOM 308 CA ILE A 703 47.174 -8.401 -4.722 1.00 0.00 C ATOM 309 C ILE A 703 48.439 -8.250 -5.565 1.00 0.00 C ATOM 310 O ILE A 703 49.430 -8.945 -5.334 1.00 0.00 O ATOM 311 CB ILE A 703 46.173 -9.311 -5.449 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.747 -8.664 -6.776 1.00 0.00 C ATOM 313 CG2 ILE A 703 44.938 -9.522 -4.566 1.00 0.00 C ATOM 314 CD1 ILE A 703 46.479 -9.341 -7.940 1.00 0.00 C ATOM 0 H ILE A 703 45.624 -6.989 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 703 47.443 -8.851 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 703 46.646 -10.272 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.669 -8.758 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 703 45.975 -7.598 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 703 44.228 -10.168 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 703 45.237 -9.989 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 703 44.470 -8.560 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 703 46.174 -8.879 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 703 47.555 -9.224 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 703 46.229 -10.402 -7.959 1.00 0.00 H new ATOM 326 N GLY A 704 48.465 -7.207 -6.392 1.00 0.00 N ATOM 327 CA GLY A 704 49.605 -6.961 -7.268 1.00 0.00 C ATOM 328 C GLY A 704 50.701 -6.195 -6.531 1.00 0.00 C ATOM 329 O GLY A 704 51.890 -6.415 -6.768 1.00 0.00 O ATOM 0 H GLY A 704 47.713 -6.523 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.000 -7.909 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.283 -6.393 -8.141 1.00 0.00 H new ATOM 333 N LEU A 705 50.290 -5.324 -5.611 1.00 0.00 N ATOM 334 CA LEU A 705 51.242 -4.613 -4.761 1.00 0.00 C ATOM 335 C LEU A 705 51.751 -5.516 -3.643 1.00 0.00 C ATOM 336 O LEU A 705 52.747 -5.201 -2.992 1.00 0.00 O ATOM 337 CB LEU A 705 50.579 -3.375 -4.152 1.00 0.00 C ATOM 338 CG LEU A 705 50.201 -2.389 -5.262 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.339 -1.267 -4.673 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.471 -1.790 -5.872 1.00 0.00 C ATOM 0 H LEU A 705 49.312 -5.095 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 705 52.087 -4.309 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.690 -3.666 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.258 -2.898 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 705 49.641 -2.912 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.069 -0.564 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.434 -1.693 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.901 -0.745 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.200 -1.089 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 705 52.034 -1.266 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 705 52.085 -2.588 -6.290 1.00 0.00 H new ATOM 352 N MET A 706 50.988 -6.563 -3.338 1.00 0.00 N ATOM 353 CA MET A 706 51.316 -7.434 -2.215 1.00 0.00 C ATOM 354 C MET A 706 52.547 -8.276 -2.534 1.00 0.00 C ATOM 355 O MET A 706 53.538 -8.236 -1.805 1.00 0.00 O ATOM 356 CB MET A 706 50.132 -8.352 -1.902 1.00 0.00 C ATOM 357 CG MET A 706 50.415 -9.125 -0.609 1.00 0.00 C ATOM 358 SD MET A 706 49.165 -8.706 0.633 1.00 0.00 S ATOM 359 CE MET A 706 47.913 -9.908 0.116 1.00 0.00 C ATOM 0 H MET A 706 50.145 -6.827 -3.849 1.00 0.00 H new ATOM 0 HA MET A 706 51.531 -6.812 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.220 -7.764 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.969 -9.047 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.404 -10.197 -0.804 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.409 -8.879 -0.236 1.00 0.00 H new ATOM 0 HE1 MET A 706 47.038 -9.822 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.624 -9.711 -0.916 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.322 -10.915 0.193 1.00 0.00 H new ATOM 369 N VAL A 707 52.542 -8.885 -3.717 1.00 0.00 N ATOM 370 CA VAL A 707 53.705 -9.627 -4.191 1.00 0.00 C ATOM 371 C VAL A 707 54.864 -8.678 -4.491 1.00 0.00 C ATOM 372 O VAL A 707 56.022 -8.995 -4.212 1.00 0.00 O ATOM 373 CB VAL A 707 53.347 -10.419 -5.457 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.344 -11.522 -5.104 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.729 -9.482 -6.500 1.00 0.00 C ATOM 0 H VAL A 707 51.751 -8.879 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 707 54.011 -10.319 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 707 54.252 -10.866 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.090 -12.084 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.786 -12.194 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.441 -11.074 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.477 -10.050 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.826 -9.029 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 707 53.444 -8.700 -6.755 1.00 0.00 H new ATOM 385 N GLY A 708 54.527 -7.459 -4.908 1.00 0.00 N ATOM 386 CA GLY A 708 55.538 -6.442 -5.177 1.00 0.00 C ATOM 387 C GLY A 708 55.837 -5.624 -3.924 1.00 0.00 C ATOM 388 O GLY A 708 56.637 -4.688 -3.965 1.00 0.00 O ATOM 0 H GLY A 708 53.567 -7.154 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.452 -6.918 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.193 -5.782 -5.973 1.00 0.00 H new ATOM 392 N GLY A 709 55.337 -6.097 -2.783 1.00 0.00 N ATOM 393 CA GLY A 709 55.534 -5.397 -1.520 1.00 0.00 C ATOM 394 C GLY A 709 56.852 -5.803 -0.869 1.00 0.00 C ATOM 395 O GLY A 709 57.129 -5.426 0.269 1.00 0.00 O ATOM 0 H GLY A 709 54.795 -6.958 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.526 -4.321 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.708 -5.618 -0.845 1.00 0.00 H new ATOM 399 N VAL A 710 57.712 -6.463 -1.643 1.00 0.00 N ATOM 400 CA VAL A 710 59.001 -6.918 -1.129 1.00 0.00 C ATOM 401 C VAL A 710 59.874 -5.726 -0.748 1.00 0.00 C ATOM 402 O VAL A 710 60.438 -5.682 0.345 1.00 0.00 O ATOM 403 CB VAL A 710 59.717 -7.764 -2.189 1.00 0.00 C ATOM 404 CG1 VAL A 710 61.103 -8.170 -1.672 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.893 -9.021 -2.486 1.00 0.00 C ATOM 0 H VAL A 710 57.541 -6.693 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 710 58.826 -7.524 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 710 59.828 -7.180 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 710 61.611 -8.771 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.690 -7.276 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.994 -8.752 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.403 -9.621 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.779 -9.605 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.910 -8.732 -2.857 1.00 0.00 H new ATOM 415 N VAL A 711 59.890 -4.716 -1.614 1.00 0.00 N ATOM 416 CA VAL A 711 60.719 -3.537 -1.387 1.00 0.00 C ATOM 417 C VAL A 711 60.116 -2.660 -0.293 1.00 0.00 C ATOM 418 O VAL A 711 60.804 -2.289 0.659 1.00 0.00 O ATOM 419 CB VAL A 711 60.851 -2.734 -2.689 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.463 -2.309 -3.181 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.712 -1.491 -2.443 1.00 0.00 C ATOM 0 H VAL A 711 59.342 -4.690 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 711 61.708 -3.863 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 711 61.325 -3.358 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.563 -1.740 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.855 -3.195 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 711 58.982 -1.690 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.804 -0.923 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.243 -0.869 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.702 -1.796 -2.104 1.00 0.00 H new ATOM 431 N ILE A 712 58.791 -2.532 -0.317 1.00 0.00 N ATOM 432 CA ILE A 712 58.092 -1.684 0.644 1.00 0.00 C ATOM 433 C ILE A 712 58.069 -2.347 2.021 1.00 0.00 C ATOM 434 O ILE A 712 58.135 -1.666 3.045 1.00 0.00 O ATOM 435 CB ILE A 712 56.658 -1.428 0.160 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.674 -0.337 -0.919 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.782 -0.970 1.332 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.441 -0.477 -1.816 1.00 0.00 C ATOM 0 H ILE A 712 58.183 -3.002 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 712 58.619 -0.734 0.725 1.00 0.00 H new ATOM 0 HB ILE A 712 56.249 -2.351 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.686 0.648 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.581 -0.418 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.766 -0.791 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.768 -1.744 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.188 -0.050 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.457 0.300 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.448 -1.457 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.539 -0.374 -1.213 1.00 0.00 H new ATOM 450 N ALA A 713 58.095 -3.677 2.032 1.00 0.00 N ATOM 451 CA ALA A 713 58.189 -4.423 3.281 1.00 0.00 C ATOM 452 C ALA A 713 59.432 -4.008 4.061 1.00 0.00 C ATOM 453 O ALA A 713 59.319 -3.448 5.151 1.00 0.00 O ATOM 454 CB ALA A 713 58.245 -5.925 2.991 1.00 0.00 C ATOM 0 H ALA A 713 58.052 -4.257 1.194 1.00 0.00 H new ATOM 0 HA ALA A 713 57.306 -4.202 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.315 -6.474 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.342 -6.227 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.118 -6.145 2.376 1.00 0.00 H new ATOM 460 N THR A 714 60.573 -4.024 3.378 1.00 0.00 N ATOM 461 CA THR A 714 61.848 -3.725 4.022 1.00 0.00 C ATOM 462 C THR A 714 61.868 -2.284 4.528 1.00 0.00 C ATOM 463 O THR A 714 62.296 -2.025 5.653 1.00 0.00 O ATOM 464 CB THR A 714 63.001 -3.939 3.032 1.00 0.00 C ATOM 465 OG1 THR A 714 62.618 -4.899 2.056 1.00 0.00 O ATOM 466 CG2 THR A 714 64.238 -4.441 3.782 1.00 0.00 C ATOM 0 H THR A 714 60.641 -4.240 2.383 1.00 0.00 H new ATOM 0 HA THR A 714 61.971 -4.398 4.870 1.00 0.00 H new ATOM 0 HB THR A 714 63.234 -2.994 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.354 -5.034 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.055 -4.592 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.535 -3.704 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.006 -5.385 4.276 1.00 0.00 H new ATOM 474 N VAL A 715 61.190 -1.406 3.793 1.00 0.00 N ATOM 475 CA VAL A 715 61.092 -0.002 4.184 1.00 0.00 C ATOM 476 C VAL A 715 60.278 0.141 5.467 1.00 0.00 C ATOM 477 O VAL A 715 60.673 0.858 6.386 1.00 0.00 O ATOM 478 CB VAL A 715 60.429 0.806 3.061 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.303 2.274 3.484 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.279 0.713 1.791 1.00 0.00 C ATOM 0 H VAL A 715 60.703 -1.640 2.928 1.00 0.00 H new ATOM 0 HA VAL A 715 62.097 0.379 4.362 1.00 0.00 H new ATOM 0 HB VAL A 715 59.437 0.400 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 715 59.832 2.844 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 715 59.694 2.342 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.294 2.681 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 715 60.807 1.287 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.273 1.115 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.364 -0.330 1.485 1.00 0.00 H new ATOM 490 N ILE A 716 59.148 -0.559 5.525 1.00 0.00 N ATOM 491 CA ILE A 716 58.298 -0.526 6.712 1.00 0.00 C ATOM 492 C ILE A 716 58.982 -1.237 7.877 1.00 0.00 C ATOM 493 O ILE A 716 59.023 -0.711 8.990 1.00 0.00 O ATOM 494 CB ILE A 716 56.956 -1.200 6.408 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.202 -0.383 5.350 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.117 -1.280 7.688 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.050 -1.214 4.780 1.00 0.00 C ATOM 0 H ILE A 716 58.802 -1.152 4.770 1.00 0.00 H new ATOM 0 HA ILE A 716 58.125 0.514 6.990 1.00 0.00 H new ATOM 0 HB ILE A 716 57.134 -2.207 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.816 0.535 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.882 -0.090 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.163 -1.760 7.468 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.652 -1.862 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 716 55.938 -0.275 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 716 54.517 -0.630 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.447 -2.120 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.364 -1.485 5.583 1.00 0.00 H new ATOM 509 N VAL A 717 59.693 -2.317 7.563 1.00 0.00 N ATOM 510 CA VAL A 717 60.331 -3.131 8.594 1.00 0.00 C ATOM 511 C VAL A 717 61.458 -2.352 9.262 1.00 0.00 C ATOM 512 O VAL A 717 61.442 -2.150 10.478 1.00 0.00 O ATOM 513 CB VAL A 717 60.891 -4.417 7.973 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.642 -5.221 9.041 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.742 -5.262 7.412 1.00 0.00 C ATOM 0 H VAL A 717 59.841 -2.647 6.609 1.00 0.00 H new ATOM 0 HA VAL A 717 59.585 -3.388 9.346 1.00 0.00 H new ATOM 0 HB VAL A 717 61.576 -4.157 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.039 -6.134 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.463 -4.623 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.959 -5.478 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.143 -6.175 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.053 -5.520 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.211 -4.693 6.648 1.00 0.00 H new ATOM 525 N ILE A 718 62.307 -1.741 8.440 1.00 0.00 N ATOM 526 CA ILE A 718 63.497 -1.067 8.946 1.00 0.00 C ATOM 527 C ILE A 718 63.108 0.187 9.726 1.00 0.00 C ATOM 528 O ILE A 718 63.729 0.512 10.737 1.00 0.00 O ATOM 529 CB ILE A 718 64.422 -0.697 7.775 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.865 -0.575 8.277 1.00 0.00 C ATOM 531 CG2 ILE A 718 63.980 0.634 7.155 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.571 -1.927 8.142 1.00 0.00 C ATOM 0 H ILE A 718 62.194 -1.699 7.427 1.00 0.00 H new ATOM 0 HA ILE A 718 64.025 -1.742 9.619 1.00 0.00 H new ATOM 0 HB ILE A 718 64.365 -1.479 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.397 0.184 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.873 -0.252 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 718 64.642 0.887 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 718 62.958 0.543 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 718 64.026 1.420 7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.597 -1.839 8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.043 -2.674 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.576 -2.232 7.096 1.00 0.00 H new ATOM 544 N THR A 719 61.951 0.747 9.378 1.00 0.00 N ATOM 545 CA THR A 719 61.409 1.889 10.107 1.00 0.00 C ATOM 546 C THR A 719 60.818 1.442 11.439 1.00 0.00 C ATOM 547 O THR A 719 61.114 2.022 12.484 1.00 0.00 O ATOM 548 CB THR A 719 60.326 2.574 9.267 1.00 0.00 C ATOM 549 OG1 THR A 719 60.866 2.932 8.004 1.00 0.00 O ATOM 550 CG2 THR A 719 59.833 3.833 9.984 1.00 0.00 C ATOM 0 H THR A 719 61.374 0.429 8.599 1.00 0.00 H new ATOM 0 HA THR A 719 62.218 2.593 10.302 1.00 0.00 H new ATOM 0 HB THR A 719 59.490 1.888 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.802 2.169 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.063 4.316 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.418 3.560 10.954 1.00 0.00 H new ATOM 0 HG23 THR A 719 60.667 4.520 10.127 1.00 0.00 H new ATOM 558 N LEU A 720 60.109 0.318 11.411 1.00 0.00 N ATOM 559 CA LEU A 720 59.467 -0.205 12.612 1.00 0.00 C ATOM 560 C LEU A 720 60.513 -0.647 13.630 1.00 0.00 C ATOM 561 O LEU A 720 60.313 -0.513 14.838 1.00 0.00 O ATOM 562 CB LEU A 720 58.575 -1.393 12.246 1.00 0.00 C ATOM 563 CG LEU A 720 57.719 -1.788 13.457 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.241 -1.539 13.143 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.934 -3.270 13.775 1.00 0.00 C ATOM 0 H LEU A 720 59.965 -0.246 10.574 1.00 0.00 H new ATOM 0 HA LEU A 720 58.860 0.586 13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 720 57.933 -1.133 11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.188 -2.237 11.931 1.00 0.00 H new ATOM 0 HG LEU A 720 58.011 -1.188 14.318 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.634 -1.820 14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.089 -0.483 12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 720 55.946 -2.137 12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 720 57.326 -3.550 14.635 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.644 -3.873 12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.986 -3.445 14.002 1.00 0.00 H new ATOM 577 N VAL A 721 61.664 -1.087 13.129 1.00 0.00 N ATOM 578 CA VAL A 721 62.774 -1.465 13.997 1.00 0.00 C ATOM 579 C VAL A 721 63.242 -0.266 14.819 1.00 0.00 C ATOM 580 O VAL A 721 63.453 -0.381 16.027 1.00 0.00 O ATOM 581 CB VAL A 721 63.938 -2.001 13.152 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.182 -2.166 14.031 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.553 -3.359 12.555 1.00 0.00 C ATOM 0 H VAL A 721 61.852 -1.190 12.132 1.00 0.00 H new ATOM 0 HA VAL A 721 62.433 -2.245 14.678 1.00 0.00 H new ATOM 0 HB VAL A 721 64.154 -1.296 12.349 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.006 -2.547 13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.459 -1.201 14.455 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.968 -2.868 14.837 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.379 -3.740 11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.335 -4.061 13.359 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.671 -3.243 11.926 1.00 0.00 H new ATOM 593 N MET A 722 63.194 0.914 14.206 1.00 0.00 N ATOM 594 CA MET A 722 63.626 2.131 14.882 1.00 0.00 C ATOM 595 C MET A 722 62.544 2.624 15.838 1.00 0.00 C ATOM 596 O MET A 722 62.846 3.100 16.933 1.00 0.00 O ATOM 597 CB MET A 722 63.939 3.226 13.855 1.00 0.00 C ATOM 598 CG MET A 722 64.980 2.715 12.852 1.00 0.00 C ATOM 599 SD MET A 722 66.116 4.060 12.423 1.00 0.00 S ATOM 600 CE MET A 722 67.493 3.032 11.855 1.00 0.00 C ATOM 0 H MET A 722 62.863 1.052 13.251 1.00 0.00 H new ATOM 0 HA MET A 722 64.527 1.904 15.452 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.028 3.517 13.331 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.314 4.116 14.361 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.534 1.879 13.280 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.485 2.343 11.955 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.317 3.671 11.538 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.826 2.388 12.669 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.166 2.418 11.016 1.00 0.00 H new ATOM 610 N LEU A 723 61.289 2.344 15.492 1.00 0.00 N ATOM 611 CA LEU A 723 60.168 2.701 16.354 1.00 0.00 C ATOM 612 C LEU A 723 60.138 1.812 17.593 1.00 0.00 C ATOM 613 O LEU A 723 60.278 2.306 18.713 1.00 0.00 O ATOM 614 CB LEU A 723 58.847 2.563 15.589 1.00 0.00 C ATOM 615 CG LEU A 723 58.796 3.594 14.456 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.606 3.292 13.543 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.642 5.001 15.042 1.00 0.00 C ATOM 0 H LEU A 723 61.025 1.874 14.626 1.00 0.00 H new ATOM 0 HA LEU A 723 60.295 3.737 16.668 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.755 1.556 15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.006 2.711 16.267 1.00 0.00 H new ATOM 0 HG LEU A 723 59.721 3.541 13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.570 4.025 12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.716 2.293 13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.683 3.342 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.606 5.730 14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.720 5.055 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.490 5.220 15.690 1.00 0.00 H new ATOM 629 N LYS A 724 60.224 0.502 17.371 1.00 0.00 N ATOM 630 CA LYS A 724 60.128 -0.459 18.466 1.00 0.00 C ATOM 631 C LYS A 724 61.508 -0.995 18.833 1.00 0.00 C ATOM 632 O LYS A 724 62.140 -1.696 18.041 1.00 0.00 O ATOM 633 CB LYS A 724 59.214 -1.620 18.066 1.00 0.00 C ATOM 634 CG LYS A 724 58.904 -2.473 19.300 1.00 0.00 C ATOM 635 CD LYS A 724 57.972 -3.623 18.908 1.00 0.00 C ATOM 636 CE LYS A 724 56.530 -3.259 19.268 1.00 0.00 C ATOM 637 NZ LYS A 724 56.345 -3.363 20.744 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.359 0.085 16.450 1.00 0.00 H new ATOM 0 HA LYS A 724 59.708 0.049 19.334 1.00 0.00 H new ATOM 0 HB2 LYS A 724 58.290 -1.237 17.634 1.00 0.00 H new ATOM 0 HB3 LYS A 724 59.695 -2.229 17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.828 -2.868 19.723 1.00 0.00 H new ATOM 0 HG3 LYS A 724 58.437 -1.860 20.071 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.052 -3.821 17.839 1.00 0.00 H new ATOM 0 HD3 LYS A 724 58.267 -4.536 19.425 1.00 0.00 H new ATOM 0 HE2 LYS A 724 56.305 -2.247 18.933 1.00 0.00 H new ATOM 0 HE3 LYS A 724 55.837 -3.926 18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 55.335 -3.488 20.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 56.879 -4.179 21.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 56.692 -2.495 21.199 1.00 0.00 H new ATOM 651 N LYS A 725 61.899 -0.786 20.088 1.00 0.00 N ATOM 652 CA LYS A 725 63.238 -1.157 20.542 1.00 0.00 C ATOM 653 C LYS A 725 63.183 -1.703 21.965 1.00 0.00 C ATOM 654 O LYS A 725 62.810 -0.987 22.896 1.00 0.00 O ATOM 655 CB LYS A 725 64.177 0.056 20.490 1.00 0.00 C ATOM 656 CG LYS A 725 63.368 1.353 20.614 1.00 0.00 C ATOM 657 CD LYS A 725 64.320 2.534 20.832 1.00 0.00 C ATOM 658 CE LYS A 725 64.115 3.112 22.234 1.00 0.00 C ATOM 659 NZ LYS A 725 65.063 4.241 22.446 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.311 -0.364 20.806 1.00 0.00 H new ATOM 0 HA LYS A 725 63.622 -1.931 19.878 1.00 0.00 H new ATOM 0 HB2 LYS A 725 64.908 -0.005 21.297 1.00 0.00 H new ATOM 0 HB3 LYS A 725 64.735 0.054 19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 725 62.776 1.512 19.713 1.00 0.00 H new ATOM 0 HG3 LYS A 725 62.668 1.279 21.446 1.00 0.00 H new ATOM 0 HD2 LYS A 725 65.353 2.208 20.710 1.00 0.00 H new ATOM 0 HD3 LYS A 725 64.138 3.303 20.081 1.00 0.00 H new ATOM 0 HE2 LYS A 725 63.088 3.458 22.350 1.00 0.00 H new ATOM 0 HE3 LYS A 725 64.278 2.339 22.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 64.926 4.636 23.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 66.040 3.897 22.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 64.887 4.980 21.736 1.00 0.00 H new ATOM 673 N LYS A 726 63.388 -3.012 22.094 1.00 0.00 N ATOM 674 CA LYS A 726 63.314 -3.667 23.398 1.00 0.00 C ATOM 675 C LYS A 726 64.710 -3.857 23.983 1.00 0.00 C ATOM 676 O LYS A 726 64.952 -4.805 24.732 1.00 0.00 O ATOM 677 CB LYS A 726 62.622 -5.028 23.258 1.00 0.00 C ATOM 678 CG LYS A 726 61.155 -4.823 22.861 1.00 0.00 C ATOM 679 CD LYS A 726 60.294 -4.673 24.121 1.00 0.00 C ATOM 680 CE LYS A 726 59.850 -6.055 24.610 1.00 0.00 C ATOM 681 NZ LYS A 726 59.024 -5.907 25.841 1.00 0.00 N1+ ATOM 0 H LYS A 726 63.605 -3.636 21.317 1.00 0.00 H new ATOM 0 HA LYS A 726 62.737 -3.034 24.072 1.00 0.00 H new ATOM 0 HB2 LYS A 726 63.132 -5.630 22.506 1.00 0.00 H new ATOM 0 HB3 LYS A 726 62.681 -5.575 24.199 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.058 -3.936 22.235 1.00 0.00 H new ATOM 0 HG3 LYS A 726 60.807 -5.670 22.270 1.00 0.00 H new ATOM 0 HD2 LYS A 726 60.860 -4.165 24.902 1.00 0.00 H new ATOM 0 HD3 LYS A 726 59.422 -4.055 23.906 1.00 0.00 H new ATOM 0 HE2 LYS A 726 59.276 -6.560 23.833 1.00 0.00 H new ATOM 0 HE3 LYS A 726 60.721 -6.676 24.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 58.723 -6.846 26.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 59.586 -5.442 26.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 58.185 -5.330 25.629 1.00 0.00 H new ATOM 695 N GLN A 727 65.561 -2.847 23.797 1.00 0.00 N ATOM 696 CA GLN A 727 66.932 -2.899 24.301 1.00 0.00 C ATOM 697 C GLN A 727 67.626 -4.180 23.844 1.00 0.00 C ATOM 698 O GLN A 727 67.735 -5.144 24.601 1.00 0.00 O ATOM 699 CB GLN A 727 66.936 -2.825 25.835 1.00 0.00 C ATOM 700 CG GLN A 727 66.193 -1.566 26.295 1.00 0.00 C ATOM 701 CD GLN A 727 66.954 -0.318 25.854 1.00 0.00 C ATOM 702 OE1 GLN A 727 67.993 0.011 26.427 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.500 0.395 24.860 1.00 0.00 N ATOM 0 H GLN A 727 65.325 -1.986 23.303 1.00 0.00 H new ATOM 0 HA GLN A 727 67.476 -2.044 23.900 1.00 0.00 H new ATOM 0 HB2 GLN A 727 66.460 -3.712 26.252 1.00 0.00 H new ATOM 0 HB3 GLN A 727 67.961 -2.809 26.205 1.00 0.00 H new ATOM 0 HG2 GLN A 727 65.187 -1.555 25.876 1.00 0.00 H new ATOM 0 HG3 GLN A 727 66.087 -1.573 27.380 1.00 0.00 H new ATOM 0 HE21 GLN A 727 65.639 0.120 24.387 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.006 1.227 24.556 1.00 0.00 H new ATOM 712 N TYR A 728 67.932 -4.240 22.551 1.00 0.00 N ATOM 713 CA TYR A 728 68.605 -5.404 21.983 1.00 0.00 C ATOM 714 C TYR A 728 70.052 -5.475 22.462 1.00 0.00 C ATOM 715 O TYR A 728 70.654 -6.548 22.481 1.00 0.00 O ATOM 716 CB TYR A 728 68.575 -5.319 20.456 1.00 0.00 C ATOM 717 CG TYR A 728 67.235 -5.801 19.947 1.00 0.00 C ATOM 718 CD1 TYR A 728 66.109 -4.973 20.045 1.00 0.00 C ATOM 719 CD2 TYR A 728 67.131 -7.053 19.328 1.00 0.00 C ATOM 720 CE1 TYR A 728 64.872 -5.415 19.560 1.00 0.00 C ATOM 721 CE2 TYR A 728 65.911 -7.458 18.771 1.00 0.00 C ATOM 722 CZ TYR A 728 64.774 -6.654 18.915 1.00 0.00 C ATOM 723 OH TYR A 728 63.584 -7.035 18.331 1.00 0.00 O ATOM 0 H TYR A 728 67.726 -3.500 21.880 1.00 0.00 H new ATOM 0 HA TYR A 728 68.084 -6.303 22.312 1.00 0.00 H new ATOM 0 HB2 TYR A 728 68.749 -4.292 20.135 1.00 0.00 H new ATOM 0 HB3 TYR A 728 69.376 -5.925 20.032 1.00 0.00 H new ATOM 0 HD1 TYR A 728 66.195 -3.995 20.494 1.00 0.00 H new ATOM 0 HD2 TYR A 728 67.990 -7.705 19.280 1.00 0.00 H new ATOM 0 HE1 TYR A 728 63.993 -4.800 19.683 1.00 0.00 H new ATOM 0 HE2 TYR A 728 65.848 -8.391 18.230 1.00 0.00 H new ATOM 0 HH TYR A 728 63.687 -7.921 17.926 1.00 0.00 H new TER 733 TYR A 728