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 Single : A 684 HIS : no HD1:sc= -0.537 K(o=-0.54,f=-3.1!) USER MOD Single : A 685 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 699 LYS NZ :NH3+ 158:sc= -0.0204 (180deg=-0.478) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 76:sc= 0.312 USER MOD Single : A 719 THR OG1 : rot -3:sc= 0.75 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 171:sc= 0.0101 (180deg=0.00335) USER MOD Single : A 725 LYS NZ :NH3+ -120:sc= -0.0854 (180deg=-0.708) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 60.258 23.974 -5.739 1.00 0.00 N ATOM 2 CA VAL A 683 60.209 23.103 -4.568 1.00 0.00 C ATOM 3 C VAL A 683 60.777 21.725 -4.901 1.00 0.00 C ATOM 4 O VAL A 683 60.489 21.167 -5.961 1.00 0.00 O ATOM 5 CB VAL A 683 58.762 22.962 -4.075 1.00 0.00 C ATOM 6 CG1 VAL A 683 58.214 24.340 -3.690 1.00 0.00 C ATOM 7 CG2 VAL A 683 57.891 22.355 -5.181 1.00 0.00 C ATOM 0 HA VAL A 683 60.814 23.551 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 683 58.744 22.307 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 683 57.187 24.238 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 683 58.827 24.767 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 683 58.238 24.997 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 683 56.866 22.258 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 683 57.911 23.004 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 683 58.277 21.371 -5.449 1.00 0.00 H new ATOM 16 N HIS A 684 61.684 21.247 -4.053 1.00 0.00 N ATOM 17 CA HIS A 684 62.323 19.953 -4.274 1.00 0.00 C ATOM 18 C HIS A 684 61.651 18.877 -3.426 1.00 0.00 C ATOM 19 O HIS A 684 62.140 18.532 -2.349 1.00 0.00 O ATOM 20 CB HIS A 684 63.813 20.039 -3.919 1.00 0.00 C ATOM 21 CG HIS A 684 64.528 20.890 -4.936 1.00 0.00 C ATOM 22 ND1 HIS A 684 63.892 21.912 -5.621 1.00 0.00 N ATOM 23 CD2 HIS A 684 65.854 20.975 -5.288 1.00 0.00 C ATOM 24 CE1 HIS A 684 64.788 22.444 -6.469 1.00 0.00 C ATOM 25 NE2 HIS A 684 66.021 21.996 -6.221 1.00 0.00 N ATOM 0 H HIS A 684 61.992 21.733 -3.211 1.00 0.00 H new ATOM 0 HA HIS A 684 62.219 19.687 -5.326 1.00 0.00 H new ATOM 0 HB2 HIS A 684 63.936 20.465 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 684 64.249 19.040 -3.895 1.00 0.00 H new ATOM 0 HD2 HIS A 684 66.644 20.348 -4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 684 64.542 23.146 -7.252 1.00 0.00 H new ATOM 0 HE2 HIS A 684 66.896 22.329 -6.627 1.00 0.00 H new ATOM 33 N HIS A 685 60.420 18.535 -3.800 1.00 0.00 N ATOM 34 CA HIS A 685 59.660 17.522 -3.074 1.00 0.00 C ATOM 35 C HIS A 685 58.891 16.633 -4.045 1.00 0.00 C ATOM 36 O HIS A 685 59.220 15.458 -4.210 1.00 0.00 O ATOM 37 CB HIS A 685 58.682 18.200 -2.108 1.00 0.00 C ATOM 38 CG HIS A 685 58.216 17.203 -1.084 1.00 0.00 C ATOM 39 ND1 HIS A 685 58.857 17.047 0.136 1.00 0.00 N ATOM 40 CD2 HIS A 685 57.288 16.191 -1.147 1.00 0.00 C ATOM 41 CE1 HIS A 685 58.230 16.059 0.799 1.00 0.00 C ATOM 42 NE2 HIS A 685 57.301 15.468 0.043 1.00 0.00 N ATOM 0 H HIS A 685 59.930 18.942 -4.597 1.00 0.00 H new ATOM 0 HA HIS A 685 60.357 16.902 -2.509 1.00 0.00 H new ATOM 0 HB2 HIS A 685 59.166 19.043 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 685 57.829 18.599 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 685 56.646 15.987 -1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 685 58.451 15.778 1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 685 56.725 14.661 0.285 1.00 0.00 H new ATOM 50 N GLN A 686 57.988 17.249 -4.807 1.00 0.00 N ATOM 51 CA GLN A 686 57.200 16.524 -5.802 1.00 0.00 C ATOM 52 C GLN A 686 56.509 15.312 -5.169 1.00 0.00 C ATOM 53 O GLN A 686 55.550 15.468 -4.413 1.00 0.00 O ATOM 54 CB GLN A 686 58.101 16.074 -6.960 1.00 0.00 C ATOM 55 CG GLN A 686 58.631 17.303 -7.707 1.00 0.00 C ATOM 56 CD GLN A 686 59.905 16.944 -8.464 1.00 0.00 C ATOM 57 OE1 GLN A 686 61.002 17.029 -7.911 1.00 0.00 O ATOM 58 NE2 GLN A 686 59.822 16.508 -9.691 1.00 0.00 N ATOM 0 H GLN A 686 57.784 18.247 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 686 56.432 17.194 -6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 686 58.932 15.482 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 686 57.541 15.435 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 686 57.876 17.670 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 686 58.832 18.109 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 686 58.912 16.438 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 686 60.667 16.237 -10.194 1.00 0.00 H new ATOM 67 N LYS A 687 57.076 14.125 -5.386 1.00 0.00 N ATOM 68 CA LYS A 687 56.496 12.891 -4.855 1.00 0.00 C ATOM 69 C LYS A 687 55.006 12.802 -5.189 1.00 0.00 C ATOM 70 O LYS A 687 54.639 12.546 -6.337 1.00 0.00 O ATOM 71 CB LYS A 687 56.696 12.831 -3.335 1.00 0.00 C ATOM 72 CG LYS A 687 58.189 12.710 -3.014 1.00 0.00 C ATOM 73 CD LYS A 687 58.550 11.238 -2.794 1.00 0.00 C ATOM 74 CE LYS A 687 60.073 11.088 -2.724 1.00 0.00 C ATOM 75 NZ LYS A 687 60.430 10.160 -1.614 1.00 0.00 N1+ ATOM 0 H LYS A 687 57.933 13.992 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 687 57.003 12.045 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 687 56.286 13.727 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 687 56.155 11.980 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 687 58.781 13.122 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 687 58.428 13.291 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 687 58.096 10.876 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 687 58.151 10.630 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 687 60.455 10.705 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 687 60.538 12.061 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 61.464 10.058 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 60.078 10.544 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 59.998 9.230 -1.787 1.00 0.00 H new ATOM 89 N LEU A 688 54.164 12.877 -4.156 1.00 0.00 N ATOM 90 CA LEU A 688 52.716 12.806 -4.338 1.00 0.00 C ATOM 91 C LEU A 688 52.288 11.414 -4.801 1.00 0.00 C ATOM 92 O LEU A 688 51.094 11.121 -4.863 1.00 0.00 O ATOM 93 CB LEU A 688 52.261 13.853 -5.361 1.00 0.00 C ATOM 94 CG LEU A 688 50.829 14.300 -5.041 1.00 0.00 C ATOM 95 CD1 LEU A 688 50.865 15.535 -4.135 1.00 0.00 C ATOM 96 CD2 LEU A 688 50.094 14.641 -6.342 1.00 0.00 C ATOM 0 H LEU A 688 54.461 12.987 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 688 52.245 13.010 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 688 52.933 14.711 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 688 52.306 13.436 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 688 50.306 13.492 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 688 49.846 15.850 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 688 51.383 15.291 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 688 51.391 16.343 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 688 49.077 14.958 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 688 50.618 15.447 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 688 50.063 13.761 -6.984 1.00 0.00 H new ATOM 108 N VAL A 689 53.257 10.504 -4.898 1.00 0.00 N ATOM 109 CA VAL A 689 52.959 9.120 -5.256 1.00 0.00 C ATOM 110 C VAL A 689 52.229 8.419 -4.113 1.00 0.00 C ATOM 111 O VAL A 689 51.466 7.481 -4.339 1.00 0.00 O ATOM 112 CB VAL A 689 54.256 8.369 -5.577 1.00 0.00 C ATOM 113 CG1 VAL A 689 53.925 6.961 -6.079 1.00 0.00 C ATOM 114 CG2 VAL A 689 55.035 9.126 -6.656 1.00 0.00 C ATOM 0 H VAL A 689 54.245 10.698 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 689 52.317 9.122 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 689 54.863 8.298 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 689 54.849 6.429 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 689 53.375 6.420 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 689 53.315 7.030 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.957 8.590 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 689 54.428 9.201 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.276 10.126 -6.297 1.00 0.00 H new ATOM 124 N PHE A 690 52.317 9.010 -2.923 1.00 0.00 N ATOM 125 CA PHE A 690 51.609 8.486 -1.759 1.00 0.00 C ATOM 126 C PHE A 690 50.134 8.878 -1.810 1.00 0.00 C ATOM 127 O PHE A 690 49.256 8.048 -1.563 1.00 0.00 O ATOM 128 CB PHE A 690 52.244 9.035 -0.478 1.00 0.00 C ATOM 129 CG PHE A 690 53.577 8.357 -0.241 1.00 0.00 C ATOM 130 CD1 PHE A 690 54.682 8.685 -1.036 1.00 0.00 C ATOM 131 CD2 PHE A 690 53.703 7.390 0.765 1.00 0.00 C ATOM 132 CE1 PHE A 690 55.869 7.951 -0.919 1.00 0.00 C ATOM 133 CE2 PHE A 690 54.927 6.737 0.957 1.00 0.00 C ATOM 134 CZ PHE A 690 56.005 7.002 0.102 1.00 0.00 C ATOM 0 H PHE A 690 52.869 9.848 -2.741 1.00 0.00 H new ATOM 0 HA PHE A 690 51.683 7.399 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 690 52.383 10.113 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 690 51.582 8.864 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 690 54.619 9.503 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 690 52.857 7.148 1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 690 56.678 8.116 -1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 690 55.040 6.029 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 690 56.939 6.475 0.230 1.00 0.00 H new ATOM 144 N PHE A 691 49.869 10.096 -2.276 1.00 0.00 N ATOM 145 CA PHE A 691 48.502 10.602 -2.343 1.00 0.00 C ATOM 146 C PHE A 691 47.814 10.128 -3.623 1.00 0.00 C ATOM 147 O PHE A 691 46.689 9.623 -3.582 1.00 0.00 O ATOM 148 CB PHE A 691 48.513 12.134 -2.297 1.00 0.00 C ATOM 149 CG PHE A 691 47.957 12.605 -0.971 1.00 0.00 C ATOM 150 CD1 PHE A 691 48.737 12.508 0.189 1.00 0.00 C ATOM 151 CD2 PHE A 691 46.629 13.041 -0.886 1.00 0.00 C ATOM 152 CE1 PHE A 691 48.208 12.906 1.423 1.00 0.00 C ATOM 153 CE2 PHE A 691 46.092 13.412 0.353 1.00 0.00 C ATOM 154 CZ PHE A 691 46.884 13.352 1.506 1.00 0.00 C ATOM 0 H PHE A 691 50.579 10.747 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 691 47.947 10.217 -1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 691 49.529 12.505 -2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 691 47.918 12.537 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 691 49.746 12.126 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 691 46.019 13.091 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 691 48.822 12.869 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 691 45.067 13.745 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 691 46.473 13.650 2.459 1.00 0.00 H new ATOM 164 N ALA A 692 48.520 10.245 -4.747 1.00 0.00 N ATOM 165 CA ALA A 692 47.951 9.879 -6.044 1.00 0.00 C ATOM 166 C ALA A 692 47.815 8.362 -6.166 1.00 0.00 C ATOM 167 O ALA A 692 47.459 7.850 -7.228 1.00 0.00 O ATOM 168 CB ALA A 692 48.845 10.407 -7.172 1.00 0.00 C ATOM 0 H ALA A 692 49.480 10.588 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 692 46.960 10.326 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 692 48.416 10.131 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 692 48.915 11.493 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 692 49.841 9.973 -7.081 1.00 0.00 H new ATOM 174 N GLU A 693 48.234 7.649 -5.120 1.00 0.00 N ATOM 175 CA GLU A 693 48.087 6.197 -5.082 1.00 0.00 C ATOM 176 C GLU A 693 46.613 5.798 -5.057 1.00 0.00 C ATOM 177 O GLU A 693 46.266 4.666 -5.403 1.00 0.00 O ATOM 178 CB GLU A 693 48.788 5.631 -3.840 1.00 0.00 C ATOM 179 CG GLU A 693 49.464 4.301 -4.189 1.00 0.00 C ATOM 180 CD GLU A 693 50.864 4.554 -4.745 1.00 0.00 C ATOM 181 OE1 GLU A 693 50.958 5.081 -5.842 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 51.821 4.259 -4.047 1.00 0.00 O ATOM 0 H GLU A 693 48.675 8.052 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 693 48.546 5.787 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 693 49.529 6.341 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 693 48.065 5.483 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 693 49.525 3.671 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 693 48.865 3.761 -4.922 1.00 0.00 H new ATOM 189 N ASP A 694 45.744 6.768 -4.777 1.00 0.00 N ATOM 190 CA ASP A 694 44.337 6.470 -4.525 1.00 0.00 C ATOM 191 C ASP A 694 43.574 6.322 -5.838 1.00 0.00 C ATOM 192 O ASP A 694 42.470 5.776 -5.864 1.00 0.00 O ATOM 193 CB ASP A 694 43.709 7.590 -3.689 1.00 0.00 C ATOM 194 CG ASP A 694 42.244 7.269 -3.402 1.00 0.00 C ATOM 195 OD1 ASP A 694 41.986 6.214 -2.845 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 41.400 8.079 -3.751 1.00 0.00 O ATOM 0 H ASP A 694 45.987 7.757 -4.719 1.00 0.00 H new ATOM 0 HA ASP A 694 44.277 5.529 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 694 44.255 7.706 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 694 43.785 8.538 -4.221 1.00 0.00 H new ATOM 201 N VAL A 695 44.257 6.629 -6.942 1.00 0.00 N ATOM 202 CA VAL A 695 43.681 6.463 -8.273 1.00 0.00 C ATOM 203 C VAL A 695 43.439 4.988 -8.585 1.00 0.00 C ATOM 204 O VAL A 695 42.847 4.657 -9.614 1.00 0.00 O ATOM 205 CB VAL A 695 44.630 7.063 -9.326 1.00 0.00 C ATOM 206 CG1 VAL A 695 44.859 8.549 -9.025 1.00 0.00 C ATOM 207 CG2 VAL A 695 45.976 6.328 -9.297 1.00 0.00 C ATOM 0 H VAL A 695 45.210 6.994 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 695 42.723 6.983 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 695 44.180 6.953 -10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 695 45.531 8.972 -9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 695 43.906 9.077 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 695 45.303 8.656 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 695 46.642 6.758 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 695 46.425 6.431 -8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 695 45.819 5.272 -9.516 1.00 0.00 H new ATOM 217 N GLY A 696 44.112 4.122 -7.836 1.00 0.00 N ATOM 218 CA GLY A 696 43.887 2.685 -7.947 1.00 0.00 C ATOM 219 C GLY A 696 43.753 2.049 -6.571 1.00 0.00 C ATOM 220 O GLY A 696 44.734 1.569 -6.001 1.00 0.00 O ATOM 0 H GLY A 696 44.816 4.388 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 696 42.984 2.498 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 696 44.714 2.224 -8.486 1.00 0.00 H new ATOM 224 N SER A 697 42.546 2.117 -6.012 1.00 0.00 N ATOM 225 CA SER A 697 42.259 1.465 -4.738 1.00 0.00 C ATOM 226 C SER A 697 41.307 0.287 -4.942 1.00 0.00 C ATOM 227 O SER A 697 40.233 0.228 -4.341 1.00 0.00 O ATOM 228 CB SER A 697 41.640 2.478 -3.769 1.00 0.00 C ATOM 229 OG SER A 697 40.526 3.103 -4.388 1.00 0.00 O ATOM 0 H SER A 697 41.755 2.615 -6.420 1.00 0.00 H new ATOM 0 HA SER A 697 43.191 1.087 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.327 1.977 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.380 3.227 -3.486 1.00 0.00 H new ATOM 0 HG SER A 697 40.128 3.750 -3.769 1.00 0.00 H new ATOM 235 N ASN A 698 41.712 -0.652 -5.795 1.00 0.00 N ATOM 236 CA ASN A 698 40.922 -1.859 -6.027 1.00 0.00 C ATOM 237 C ASN A 698 41.389 -2.987 -5.113 1.00 0.00 C ATOM 238 O ASN A 698 42.555 -3.378 -5.156 1.00 0.00 O ATOM 239 CB ASN A 698 41.055 -2.297 -7.489 1.00 0.00 C ATOM 240 CG ASN A 698 39.702 -2.208 -8.186 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.362 -1.171 -8.757 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.891 -3.228 -8.144 1.00 0.00 N ATOM 0 H ASN A 698 42.577 -0.601 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 698 39.878 -1.636 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.780 -1.665 -8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.432 -3.319 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.973 -3.168 -8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.175 -4.086 -7.671 1.00 0.00 H new ATOM 249 N LYS A 699 40.431 -3.650 -4.467 1.00 0.00 N ATOM 250 CA LYS A 699 40.754 -4.745 -3.556 1.00 0.00 C ATOM 251 C LYS A 699 41.569 -5.818 -4.272 1.00 0.00 C ATOM 252 O LYS A 699 42.623 -6.227 -3.787 1.00 0.00 O ATOM 253 CB LYS A 699 39.468 -5.363 -2.998 1.00 0.00 C ATOM 254 CG LYS A 699 39.821 -6.512 -2.045 1.00 0.00 C ATOM 255 CD LYS A 699 38.567 -6.948 -1.279 1.00 0.00 C ATOM 256 CE LYS A 699 38.824 -8.293 -0.594 1.00 0.00 C ATOM 257 NZ LYS A 699 40.134 -8.250 0.115 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.435 -3.450 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 699 41.347 -4.343 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.887 -4.606 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 699 38.846 -5.732 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.227 -7.353 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 699 40.594 -6.194 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 699 38.302 -6.195 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 699 37.722 -7.032 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 699 38.023 -8.512 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 699 38.825 -9.095 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 40.149 -8.975 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 40.901 -8.434 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 40.267 -7.311 0.542 1.00 0.00 H new ATOM 271 N GLY A 700 41.194 -6.099 -5.518 1.00 0.00 N ATOM 272 CA GLY A 700 41.901 -7.098 -6.312 1.00 0.00 C ATOM 273 C GLY A 700 43.303 -6.615 -6.674 1.00 0.00 C ATOM 274 O GLY A 700 44.271 -7.369 -6.564 1.00 0.00 O ATOM 0 H GLY A 700 40.411 -5.653 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.967 -8.032 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.339 -7.309 -7.222 1.00 0.00 H new ATOM 278 N ALA A 701 43.424 -5.314 -6.928 1.00 0.00 N ATOM 279 CA ALA A 701 44.718 -4.725 -7.260 1.00 0.00 C ATOM 280 C ALA A 701 45.667 -4.797 -6.066 1.00 0.00 C ATOM 281 O ALA A 701 46.804 -5.242 -6.206 1.00 0.00 O ATOM 282 CB ALA A 701 44.537 -3.267 -7.689 1.00 0.00 C ATOM 0 H ALA A 701 42.648 -4.652 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 701 45.151 -5.292 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.508 -2.837 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.889 -3.223 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.085 -2.701 -6.874 1.00 0.00 H new ATOM 288 N ILE A 702 45.117 -4.596 -4.870 1.00 0.00 N ATOM 289 CA ILE A 702 45.923 -4.610 -3.649 1.00 0.00 C ATOM 290 C ILE A 702 46.666 -5.939 -3.509 1.00 0.00 C ATOM 291 O ILE A 702 47.852 -5.957 -3.179 1.00 0.00 O ATOM 292 CB ILE A 702 45.021 -4.388 -2.426 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.364 -3.001 -2.514 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.852 -4.492 -1.140 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.335 -1.920 -2.023 1.00 0.00 C ATOM 0 H ILE A 702 44.123 -4.423 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 702 46.656 -3.806 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 702 44.244 -5.152 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.070 -2.795 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.455 -2.983 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.207 -4.334 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.305 -5.482 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.636 -3.735 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.856 -0.943 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.608 -2.119 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.232 -1.928 -2.642 1.00 0.00 H new ATOM 307 N ILE A 703 46.034 -7.009 -3.989 1.00 0.00 N ATOM 308 CA ILE A 703 46.650 -8.333 -3.954 1.00 0.00 C ATOM 309 C ILE A 703 47.819 -8.406 -4.935 1.00 0.00 C ATOM 310 O ILE A 703 48.921 -8.817 -4.571 1.00 0.00 O ATOM 311 CB ILE A 703 45.612 -9.408 -4.310 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.272 -9.095 -3.628 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.113 -10.781 -3.848 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.487 -8.864 -2.127 1.00 0.00 C ATOM 0 H ILE A 703 45.102 -6.985 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 703 47.023 -8.511 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 703 45.468 -9.417 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.823 -8.210 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 703 43.576 -9.919 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.375 -11.542 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.056 -11.010 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.265 -10.769 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.531 -8.643 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.916 -9.760 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.167 -8.025 -1.982 1.00 0.00 H new ATOM 326 N GLY A 704 47.608 -7.859 -6.131 1.00 0.00 N ATOM 327 CA GLY A 704 48.623 -7.911 -7.180 1.00 0.00 C ATOM 328 C GLY A 704 49.709 -6.865 -6.945 1.00 0.00 C ATOM 329 O GLY A 704 50.843 -7.022 -7.398 1.00 0.00 O ATOM 0 H GLY A 704 46.749 -7.378 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.071 -8.904 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.156 -7.744 -8.151 1.00 0.00 H new ATOM 333 N LEU A 705 49.372 -5.836 -6.171 1.00 0.00 N ATOM 334 CA LEU A 705 50.351 -4.827 -5.780 1.00 0.00 C ATOM 335 C LEU A 705 51.248 -5.346 -4.665 1.00 0.00 C ATOM 336 O LEU A 705 52.407 -4.943 -4.556 1.00 0.00 O ATOM 337 CB LEU A 705 49.631 -3.561 -5.308 1.00 0.00 C ATOM 338 CG LEU A 705 48.892 -2.926 -6.489 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.931 -1.850 -5.975 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.911 -2.300 -7.445 1.00 0.00 C ATOM 0 H LEU A 705 48.433 -5.680 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 705 50.970 -4.596 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.927 -3.805 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.349 -2.855 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 705 48.321 -3.689 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.406 -1.399 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.208 -2.302 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.495 -1.082 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.389 -1.847 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.482 -1.536 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.589 -3.072 -7.811 1.00 0.00 H new ATOM 352 N MET A 706 50.738 -6.311 -3.905 1.00 0.00 N ATOM 353 CA MET A 706 51.437 -6.785 -2.716 1.00 0.00 C ATOM 354 C MET A 706 52.745 -7.471 -3.102 1.00 0.00 C ATOM 355 O MET A 706 53.712 -7.444 -2.339 1.00 0.00 O ATOM 356 CB MET A 706 50.551 -7.766 -1.939 1.00 0.00 C ATOM 357 CG MET A 706 50.360 -7.261 -0.506 1.00 0.00 C ATOM 358 SD MET A 706 51.968 -7.182 0.325 1.00 0.00 S ATOM 359 CE MET A 706 51.701 -5.620 1.200 1.00 0.00 C ATOM 0 H MET A 706 49.850 -6.777 -4.090 1.00 0.00 H new ATOM 0 HA MET A 706 51.662 -5.926 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.584 -7.867 -2.432 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.008 -8.755 -1.929 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.894 -6.275 -0.515 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.689 -7.925 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 706 52.587 -5.376 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.514 -4.826 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.842 -5.717 1.863 1.00 0.00 H new ATOM 369 N VAL A 707 52.824 -7.919 -4.354 1.00 0.00 N ATOM 370 CA VAL A 707 54.017 -8.610 -4.835 1.00 0.00 C ATOM 371 C VAL A 707 55.193 -7.642 -4.930 1.00 0.00 C ATOM 372 O VAL A 707 56.324 -7.996 -4.593 1.00 0.00 O ATOM 373 CB VAL A 707 53.749 -9.239 -6.212 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.435 -10.027 -6.174 1.00 0.00 C ATOM 375 CG2 VAL A 707 53.654 -8.140 -7.278 1.00 0.00 C ATOM 0 H VAL A 707 52.083 -7.817 -5.047 1.00 0.00 H new ATOM 0 HA VAL A 707 54.266 -9.399 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 707 54.569 -9.912 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.249 -10.471 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.505 -10.815 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.615 -9.356 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.464 -8.593 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.839 -7.461 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.591 -7.585 -7.313 1.00 0.00 H new ATOM 385 N GLY A 708 54.885 -6.378 -5.217 1.00 0.00 N ATOM 386 CA GLY A 708 55.911 -5.342 -5.289 1.00 0.00 C ATOM 387 C GLY A 708 56.029 -4.596 -3.963 1.00 0.00 C ATOM 388 O GLY A 708 56.904 -3.744 -3.798 1.00 0.00 O ATOM 0 H GLY A 708 53.938 -6.049 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.870 -5.792 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.668 -4.639 -6.086 1.00 0.00 H new ATOM 392 N GLY A 709 55.213 -4.994 -2.988 1.00 0.00 N ATOM 393 CA GLY A 709 55.244 -4.368 -1.669 1.00 0.00 C ATOM 394 C GLY A 709 56.375 -4.939 -0.816 1.00 0.00 C ATOM 395 O GLY A 709 56.469 -4.648 0.377 1.00 0.00 O ATOM 0 H GLY A 709 54.527 -5.742 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.374 -3.291 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.290 -4.525 -1.166 1.00 0.00 H new ATOM 399 N VAL A 710 57.286 -5.665 -1.459 1.00 0.00 N ATOM 400 CA VAL A 710 58.402 -6.288 -0.752 1.00 0.00 C ATOM 401 C VAL A 710 59.414 -5.232 -0.315 1.00 0.00 C ATOM 402 O VAL A 710 59.911 -5.267 0.813 1.00 0.00 O ATOM 403 CB VAL A 710 59.086 -7.313 -1.664 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.302 -7.913 -0.948 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.096 -8.431 -2.014 1.00 0.00 C ATOM 0 H VAL A 710 57.274 -5.836 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 710 58.016 -6.791 0.135 1.00 0.00 H new ATOM 0 HB VAL A 710 59.413 -6.818 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.785 -8.641 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.008 -7.120 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.978 -8.405 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.584 -9.159 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.765 -8.924 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.234 -8.006 -2.529 1.00 0.00 H new ATOM 415 N VAL A 711 59.815 -4.383 -1.257 1.00 0.00 N ATOM 416 CA VAL A 711 60.744 -3.296 -0.954 1.00 0.00 C ATOM 417 C VAL A 711 60.163 -2.376 0.115 1.00 0.00 C ATOM 418 O VAL A 711 60.770 -2.187 1.171 1.00 0.00 O ATOM 419 CB VAL A 711 61.050 -2.482 -2.221 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.320 -3.027 -2.882 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.879 -2.578 -3.206 1.00 0.00 C ATOM 0 H VAL A 711 59.514 -4.425 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 711 61.668 -3.736 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 711 61.197 -1.438 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.538 -2.451 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 711 63.156 -2.946 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.171 -4.073 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.107 -1.997 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.720 -3.621 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.977 -2.184 -2.738 1.00 0.00 H new ATOM 431 N ILE A 712 58.907 -1.978 -0.077 1.00 0.00 N ATOM 432 CA ILE A 712 58.252 -1.062 0.852 1.00 0.00 C ATOM 433 C ILE A 712 58.121 -1.703 2.230 1.00 0.00 C ATOM 434 O ILE A 712 58.251 -1.029 3.254 1.00 0.00 O ATOM 435 CB ILE A 712 56.861 -0.688 0.327 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.992 -0.026 -1.051 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.191 0.287 1.302 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.623 0.012 -1.737 1.00 0.00 C ATOM 0 H ILE A 712 58.327 -2.273 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 712 58.862 -0.162 0.936 1.00 0.00 H new ATOM 0 HB ILE A 712 56.253 -1.589 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.384 0.985 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.702 -0.580 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.202 0.553 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.095 -0.185 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.799 1.187 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.719 0.483 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.249 -1.004 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.926 0.585 -1.126 1.00 0.00 H new ATOM 450 N ALA A 713 57.852 -3.006 2.247 1.00 0.00 N ATOM 451 CA ALA A 713 57.764 -3.746 3.500 1.00 0.00 C ATOM 452 C ALA A 713 59.071 -3.636 4.281 1.00 0.00 C ATOM 453 O ALA A 713 59.096 -3.043 5.359 1.00 0.00 O ATOM 454 CB ALA A 713 57.453 -5.218 3.218 1.00 0.00 C ATOM 0 H ALA A 713 57.692 -3.568 1.411 1.00 0.00 H new ATOM 0 HA ALA A 713 56.961 -3.316 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.389 -5.763 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.503 -5.294 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.245 -5.646 2.604 1.00 0.00 H new ATOM 460 N THR A 714 60.176 -3.925 3.597 1.00 0.00 N ATOM 461 CA THR A 714 61.493 -3.886 4.230 1.00 0.00 C ATOM 462 C THR A 714 61.794 -2.487 4.760 1.00 0.00 C ATOM 463 O THR A 714 62.255 -2.334 5.891 1.00 0.00 O ATOM 464 CB THR A 714 62.569 -4.296 3.217 1.00 0.00 C ATOM 465 OG1 THR A 714 62.286 -5.600 2.731 1.00 0.00 O ATOM 466 CG2 THR A 714 63.945 -4.288 3.890 1.00 0.00 C ATOM 0 H THR A 714 60.187 -4.187 2.611 1.00 0.00 H new ATOM 0 HA THR A 714 61.495 -4.584 5.067 1.00 0.00 H new ATOM 0 HB THR A 714 62.572 -3.589 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.550 -5.556 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.706 -4.580 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.163 -3.287 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.947 -4.992 4.722 1.00 0.00 H new ATOM 474 N VAL A 715 61.334 -1.477 4.026 1.00 0.00 N ATOM 475 CA VAL A 715 61.572 -0.089 4.411 1.00 0.00 C ATOM 476 C VAL A 715 60.818 0.246 5.695 1.00 0.00 C ATOM 477 O VAL A 715 61.424 0.658 6.684 1.00 0.00 O ATOM 478 CB VAL A 715 61.115 0.846 3.283 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.380 2.303 3.681 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.884 0.517 1.998 1.00 0.00 C ATOM 0 H VAL A 715 60.797 -1.593 3.166 1.00 0.00 H new ATOM 0 HA VAL A 715 62.639 0.047 4.587 1.00 0.00 H new ATOM 0 HB VAL A 715 60.048 0.707 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.055 2.964 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.828 2.538 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.446 2.444 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.558 1.182 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.952 0.651 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.689 -0.517 1.712 1.00 0.00 H new ATOM 490 N ILE A 716 59.553 -0.164 5.744 1.00 0.00 N ATOM 491 CA ILE A 716 58.711 0.112 6.903 1.00 0.00 C ATOM 492 C ILE A 716 59.097 -0.792 8.073 1.00 0.00 C ATOM 493 O ILE A 716 59.041 -0.376 9.230 1.00 0.00 O ATOM 494 CB ILE A 716 57.236 -0.110 6.541 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.797 0.942 5.515 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.371 0.011 7.802 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.446 0.544 4.916 1.00 0.00 C ATOM 0 H ILE A 716 59.091 -0.685 4.999 1.00 0.00 H new ATOM 0 HA ILE A 716 58.858 1.150 7.200 1.00 0.00 H new ATOM 0 HB ILE A 716 57.115 -1.106 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.721 1.919 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.544 1.029 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.324 -0.147 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.681 -0.739 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.492 1.005 8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.136 1.293 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.537 -0.425 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.701 0.480 5.709 1.00 0.00 H new ATOM 509 N VAL A 717 59.605 -1.981 7.754 1.00 0.00 N ATOM 510 CA VAL A 717 59.978 -2.946 8.785 1.00 0.00 C ATOM 511 C VAL A 717 61.307 -2.555 9.424 1.00 0.00 C ATOM 512 O VAL A 717 61.430 -2.527 10.650 1.00 0.00 O ATOM 513 CB VAL A 717 60.093 -4.349 8.172 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.612 -5.333 9.228 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.718 -4.812 7.677 1.00 0.00 C ATOM 0 H VAL A 717 59.767 -2.297 6.798 1.00 0.00 H new ATOM 0 HA VAL A 717 59.205 -2.950 9.553 1.00 0.00 H new ATOM 0 HB VAL A 717 60.788 -4.316 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.693 -6.328 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.593 -5.009 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.920 -5.362 10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.804 -5.808 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.020 -4.840 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.350 -4.117 6.922 1.00 0.00 H new ATOM 525 N ILE A 718 62.254 -2.133 8.588 1.00 0.00 N ATOM 526 CA ILE A 718 63.544 -1.660 9.079 1.00 0.00 C ATOM 527 C ILE A 718 63.355 -0.473 10.020 1.00 0.00 C ATOM 528 O ILE A 718 63.883 -0.465 11.132 1.00 0.00 O ATOM 529 CB ILE A 718 64.432 -1.251 7.892 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.047 -2.506 7.250 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.548 -0.312 8.369 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.215 -3.020 8.101 1.00 0.00 C ATOM 0 H ILE A 718 62.152 -2.109 7.573 1.00 0.00 H new ATOM 0 HA ILE A 718 64.027 -2.467 9.631 1.00 0.00 H new ATOM 0 HB ILE A 718 63.822 -0.730 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.288 -3.283 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.395 -2.275 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.172 -0.028 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.107 0.582 8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.159 -0.822 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.641 -3.909 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.980 -2.247 8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.855 -3.271 9.099 1.00 0.00 H new ATOM 544 N THR A 719 62.479 0.449 9.630 1.00 0.00 N ATOM 545 CA THR A 719 62.203 1.625 10.450 1.00 0.00 C ATOM 546 C THR A 719 61.483 1.225 11.735 1.00 0.00 C ATOM 547 O THR A 719 61.788 1.744 12.808 1.00 0.00 O ATOM 548 CB THR A 719 61.340 2.624 9.669 1.00 0.00 C ATOM 549 OG1 THR A 719 60.181 1.968 9.179 1.00 0.00 O ATOM 550 CG2 THR A 719 62.142 3.188 8.491 1.00 0.00 C ATOM 0 H THR A 719 61.952 0.406 8.758 1.00 0.00 H new ATOM 0 HA THR A 719 63.153 2.093 10.707 1.00 0.00 H new ATOM 0 HB THR A 719 61.046 3.439 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.224 1.015 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.526 3.897 7.938 1.00 0.00 H new ATOM 0 HG22 THR A 719 63.031 3.695 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.439 2.374 7.830 1.00 0.00 H new ATOM 558 N LEU A 720 60.685 0.161 11.648 1.00 0.00 N ATOM 559 CA LEU A 720 59.922 -0.311 12.801 1.00 0.00 C ATOM 560 C LEU A 720 60.856 -0.880 13.866 1.00 0.00 C ATOM 561 O LEU A 720 60.535 -0.869 15.055 1.00 0.00 O ATOM 562 CB LEU A 720 58.928 -1.393 12.361 1.00 0.00 C ATOM 563 CG LEU A 720 57.523 -1.046 12.868 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.921 0.069 12.004 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.632 -2.290 12.793 1.00 0.00 C ATOM 0 H LEU A 720 60.551 -0.386 10.798 1.00 0.00 H new ATOM 0 HA LEU A 720 59.378 0.534 13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.922 -1.474 11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.236 -2.363 12.751 1.00 0.00 H new ATOM 0 HG LEU A 720 57.586 -0.705 13.901 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.923 0.312 12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.554 0.955 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.858 -0.267 10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.633 -2.044 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.571 -2.632 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.057 -3.080 13.412 1.00 0.00 H new ATOM 577 N VAL A 721 61.997 -1.407 13.425 1.00 0.00 N ATOM 578 CA VAL A 721 63.011 -1.901 14.352 1.00 0.00 C ATOM 579 C VAL A 721 63.553 -0.760 15.205 1.00 0.00 C ATOM 580 O VAL A 721 63.665 -0.893 16.423 1.00 0.00 O ATOM 581 CB VAL A 721 64.161 -2.555 13.575 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.204 -3.094 14.561 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.620 -3.708 12.721 1.00 0.00 C ATOM 0 H VAL A 721 62.241 -1.502 12.439 1.00 0.00 H new ATOM 0 HA VAL A 721 62.550 -2.642 15.005 1.00 0.00 H new ATOM 0 HB VAL A 721 64.624 -1.812 12.925 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.021 -3.559 14.009 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.594 -2.273 15.163 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.740 -3.834 15.213 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.440 -4.169 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.153 -4.451 13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.882 -3.324 12.017 1.00 0.00 H new ATOM 593 N MET A 722 63.649 0.421 14.601 1.00 0.00 N ATOM 594 CA MET A 722 64.198 1.583 15.293 1.00 0.00 C ATOM 595 C MET A 722 63.153 2.201 16.218 1.00 0.00 C ATOM 596 O MET A 722 63.499 2.863 17.197 1.00 0.00 O ATOM 597 CB MET A 722 64.664 2.629 14.276 1.00 0.00 C ATOM 598 CG MET A 722 66.175 2.495 14.066 1.00 0.00 C ATOM 599 SD MET A 722 66.675 3.473 12.628 1.00 0.00 S ATOM 600 CE MET A 722 66.412 2.189 11.376 1.00 0.00 C ATOM 0 H MET A 722 63.356 0.598 13.640 1.00 0.00 H new ATOM 0 HA MET A 722 65.048 1.255 15.891 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.140 2.491 13.330 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.422 3.631 14.631 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.708 2.836 14.954 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.441 1.448 13.917 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.664 2.583 10.392 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.046 1.330 11.596 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.367 1.880 11.386 1.00 0.00 H new ATOM 610 N LEU A 723 61.893 1.827 16.004 1.00 0.00 N ATOM 611 CA LEU A 723 60.817 2.242 16.897 1.00 0.00 C ATOM 612 C LEU A 723 60.786 1.363 18.149 1.00 0.00 C ATOM 613 O LEU A 723 59.850 1.447 18.945 1.00 0.00 O ATOM 614 CB LEU A 723 59.470 2.143 16.169 1.00 0.00 C ATOM 615 CG LEU A 723 59.475 3.043 14.929 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.155 2.868 14.172 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.625 4.508 15.348 1.00 0.00 C ATOM 0 H LEU A 723 61.595 1.241 15.224 1.00 0.00 H new ATOM 0 HA LEU A 723 60.996 3.274 17.197 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.280 1.110 15.878 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.663 2.438 16.839 1.00 0.00 H new ATOM 0 HG LEU A 723 60.311 2.765 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.155 3.507 13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.046 1.827 13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.324 3.145 14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.628 5.142 14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.792 4.789 15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.562 4.637 15.889 1.00 0.00 H new ATOM 629 N LYS A 724 61.888 0.649 18.399 1.00 0.00 N ATOM 630 CA LYS A 724 62.023 -0.140 19.625 1.00 0.00 C ATOM 631 C LYS A 724 62.176 0.767 20.842 1.00 0.00 C ATOM 632 O LYS A 724 62.245 0.288 21.975 1.00 0.00 O ATOM 633 CB LYS A 724 63.239 -1.069 19.527 1.00 0.00 C ATOM 634 CG LYS A 724 64.517 -0.246 19.307 1.00 0.00 C ATOM 635 CD LYS A 724 65.482 -0.473 20.475 1.00 0.00 C ATOM 636 CE LYS A 724 66.706 0.435 20.316 1.00 0.00 C ATOM 637 NZ LYS A 724 67.374 0.599 21.638 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.693 0.602 17.774 1.00 0.00 H new ATOM 0 HA LYS A 724 61.118 -0.736 19.742 1.00 0.00 H new ATOM 0 HB2 LYS A 724 63.330 -1.659 20.439 1.00 0.00 H new ATOM 0 HB3 LYS A 724 63.104 -1.772 18.705 1.00 0.00 H new ATOM 0 HG2 LYS A 724 64.991 -0.535 18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 724 64.270 0.813 19.226 1.00 0.00 H new ATOM 0 HD2 LYS A 724 64.981 -0.262 21.420 1.00 0.00 H new ATOM 0 HD3 LYS A 724 65.793 -1.517 20.505 1.00 0.00 H new ATOM 0 HE2 LYS A 724 67.401 0.004 19.596 1.00 0.00 H new ATOM 0 HE3 LYS A 724 66.404 1.407 19.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 68.284 1.085 21.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 66.766 1.163 22.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 67.538 -0.336 22.062 1.00 0.00 H new ATOM 651 N LYS A 725 62.316 2.067 20.593 1.00 0.00 N ATOM 652 CA LYS A 725 62.447 3.041 21.673 1.00 0.00 C ATOM 653 C LYS A 725 63.732 2.804 22.461 1.00 0.00 C ATOM 654 O LYS A 725 64.658 2.155 21.972 1.00 0.00 O ATOM 655 CB LYS A 725 61.240 2.953 22.615 1.00 0.00 C ATOM 656 CG LYS A 725 59.950 2.852 21.795 1.00 0.00 C ATOM 657 CD LYS A 725 58.742 3.112 22.701 1.00 0.00 C ATOM 658 CE LYS A 725 57.491 2.487 22.078 1.00 0.00 C ATOM 659 NZ LYS A 725 57.599 1.001 22.128 1.00 0.00 N1+ ATOM 0 H LYS A 725 62.342 2.469 19.656 1.00 0.00 H new ATOM 0 HA LYS A 725 62.486 4.036 21.231 1.00 0.00 H new ATOM 0 HB2 LYS A 725 61.337 2.084 23.266 1.00 0.00 H new ATOM 0 HB3 LYS A 725 61.205 3.832 23.259 1.00 0.00 H new ATOM 0 HG2 LYS A 725 59.968 3.575 20.980 1.00 0.00 H new ATOM 0 HG3 LYS A 725 59.872 1.864 21.342 1.00 0.00 H new ATOM 0 HD2 LYS A 725 58.918 2.689 23.690 1.00 0.00 H new ATOM 0 HD3 LYS A 725 58.598 4.184 22.834 1.00 0.00 H new ATOM 0 HE2 LYS A 725 56.601 2.816 22.615 1.00 0.00 H new ATOM 0 HE3 LYS A 725 57.381 2.820 21.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 57.564 0.618 21.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 58.499 0.733 22.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 56.809 0.614 22.682 1.00 0.00 H new ATOM 673 N LYS A 726 63.835 3.451 23.618 1.00 0.00 N ATOM 674 CA LYS A 726 65.002 3.289 24.479 1.00 0.00 C ATOM 675 C LYS A 726 64.713 2.286 25.592 1.00 0.00 C ATOM 676 O LYS A 726 65.584 1.502 25.971 1.00 0.00 O ATOM 677 CB LYS A 726 65.389 4.637 25.093 1.00 0.00 C ATOM 678 CG LYS A 726 65.371 5.718 24.006 1.00 0.00 C ATOM 679 CD LYS A 726 66.280 6.882 24.416 1.00 0.00 C ATOM 680 CE LYS A 726 65.805 7.465 25.751 1.00 0.00 C ATOM 681 NZ LYS A 726 66.271 8.874 25.872 1.00 0.00 N1+ ATOM 0 H LYS A 726 63.127 4.090 23.980 1.00 0.00 H new ATOM 0 HA LYS A 726 65.827 2.914 23.873 1.00 0.00 H new ATOM 0 HB2 LYS A 726 64.694 4.898 25.892 1.00 0.00 H new ATOM 0 HB3 LYS A 726 66.381 4.573 25.541 1.00 0.00 H new ATOM 0 HG2 LYS A 726 65.707 5.299 23.058 1.00 0.00 H new ATOM 0 HG3 LYS A 726 64.353 6.076 23.853 1.00 0.00 H new ATOM 0 HD2 LYS A 726 67.310 6.537 24.505 1.00 0.00 H new ATOM 0 HD3 LYS A 726 66.268 7.654 23.646 1.00 0.00 H new ATOM 0 HE2 LYS A 726 64.717 7.424 25.811 1.00 0.00 H new ATOM 0 HE3 LYS A 726 66.193 6.870 26.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 65.949 9.270 26.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 67.310 8.901 25.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 65.880 9.437 25.090 1.00 0.00 H new ATOM 695 N GLN A 727 63.446 2.214 26.000 1.00 0.00 N ATOM 696 CA GLN A 727 63.037 1.276 27.041 1.00 0.00 C ATOM 697 C GLN A 727 62.868 -0.129 26.468 1.00 0.00 C ATOM 698 O GLN A 727 62.703 -1.094 27.215 1.00 0.00 O ATOM 699 CB GLN A 727 61.719 1.736 27.677 1.00 0.00 C ATOM 700 CG GLN A 727 60.622 1.817 26.609 1.00 0.00 C ATOM 701 CD GLN A 727 59.336 2.365 27.221 1.00 0.00 C ATOM 702 OE1 GLN A 727 58.931 1.940 28.304 1.00 0.00 O ATOM 703 NE2 GLN A 727 58.641 3.255 26.568 1.00 0.00 N ATOM 0 H GLN A 727 62.691 2.790 25.628 1.00 0.00 H new ATOM 0 HA GLN A 727 63.816 1.251 27.803 1.00 0.00 H new ATOM 0 HB2 GLN A 727 61.423 1.041 28.463 1.00 0.00 H new ATOM 0 HB3 GLN A 727 61.853 2.710 28.147 1.00 0.00 H new ATOM 0 HG2 GLN A 727 60.947 2.459 25.790 1.00 0.00 H new ATOM 0 HG3 GLN A 727 60.441 0.829 26.186 1.00 0.00 H new ATOM 0 HE21 GLN A 727 58.977 3.607 25.671 1.00 0.00 H new ATOM 0 HE22 GLN A 727 57.762 3.599 26.954 1.00 0.00 H new ATOM 712 N TYR A 728 63.053 -0.251 25.154 1.00 0.00 N ATOM 713 CA TYR A 728 62.970 -1.549 24.489 1.00 0.00 C ATOM 714 C TYR A 728 61.597 -2.179 24.708 1.00 0.00 C ATOM 715 O TYR A 728 61.136 -2.981 23.897 1.00 0.00 O ATOM 716 CB TYR A 728 64.059 -2.485 25.025 1.00 0.00 C ATOM 717 CG TYR A 728 64.512 -3.420 23.926 1.00 0.00 C ATOM 718 CD1 TYR A 728 65.499 -3.008 23.024 1.00 0.00 C ATOM 719 CD2 TYR A 728 63.874 -4.653 23.749 1.00 0.00 C ATOM 720 CE1 TYR A 728 65.868 -3.841 21.962 1.00 0.00 C ATOM 721 CE2 TYR A 728 64.208 -5.465 22.660 1.00 0.00 C ATOM 722 CZ TYR A 728 65.204 -5.056 21.763 1.00 0.00 C ATOM 723 OH TYR A 728 65.618 -5.910 20.760 1.00 0.00 O ATOM 0 H TYR A 728 63.260 0.530 24.532 1.00 0.00 H new ATOM 0 HA TYR A 728 63.119 -1.397 23.420 1.00 0.00 H new ATOM 0 HB2 TYR A 728 64.904 -1.903 25.392 1.00 0.00 H new ATOM 0 HB3 TYR A 728 63.676 -3.059 25.869 1.00 0.00 H new ATOM 0 HD1 TYR A 728 65.976 -2.047 23.147 1.00 0.00 H new ATOM 0 HD2 TYR A 728 63.123 -4.978 24.454 1.00 0.00 H new ATOM 0 HE1 TYR A 728 66.665 -3.546 21.296 1.00 0.00 H new ATOM 0 HE2 TYR A 728 63.699 -6.406 22.511 1.00 0.00 H new ATOM 0 HH TYR A 728 65.052 -6.710 20.757 1.00 0.00 H new TER 733 TYR A 728