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= -0.0834 X(o=-0.083,f=-0.053) USER MOD Single : A 685 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 686 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 53:sc= 0.00807 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=0.04) 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= 0.096 USER MOD Single : A 719 THR OG1 : rot -170:sc= -0.0271 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+ -161:sc=-0.00466 (180deg=-0.494) USER MOD Single : A 726 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.116) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 64.129 23.847 1.552 1.00 0.00 N ATOM 2 CA VAL A 683 63.732 22.439 1.525 1.00 0.00 C ATOM 3 C VAL A 683 64.194 21.776 0.230 1.00 0.00 C ATOM 4 O VAL A 683 64.277 22.426 -0.812 1.00 0.00 O ATOM 5 CB VAL A 683 62.207 22.317 1.647 1.00 0.00 C ATOM 6 CG1 VAL A 683 61.802 22.416 3.121 1.00 0.00 C ATOM 7 CG2 VAL A 683 61.527 23.437 0.850 1.00 0.00 C ATOM 0 HA VAL A 683 64.204 21.935 2.368 1.00 0.00 H new ATOM 0 HB VAL A 683 61.892 21.353 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 683 60.719 22.329 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 683 62.276 21.612 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 683 62.122 23.377 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 683 60.445 23.343 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 683 61.842 24.405 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 683 61.810 23.360 -0.200 1.00 0.00 H new ATOM 16 N HIS A 684 64.305 20.451 0.267 1.00 0.00 N ATOM 17 CA HIS A 684 64.714 19.689 -0.909 1.00 0.00 C ATOM 18 C HIS A 684 64.129 18.282 -0.861 1.00 0.00 C ATOM 19 O HIS A 684 64.496 17.483 0.003 1.00 0.00 O ATOM 20 CB HIS A 684 66.243 19.609 -0.975 1.00 0.00 C ATOM 21 CG HIS A 684 66.785 20.843 -1.645 1.00 0.00 C ATOM 22 ND1 HIS A 684 67.542 21.780 -0.961 1.00 0.00 N ATOM 23 CD2 HIS A 684 66.605 21.356 -2.907 1.00 0.00 C ATOM 24 CE1 HIS A 684 67.917 22.717 -1.850 1.00 0.00 C ATOM 25 NE2 HIS A 684 67.285 22.566 -3.015 1.00 0.00 N ATOM 0 H HIS A 684 64.118 19.885 1.095 1.00 0.00 H new ATOM 0 HA HIS A 684 64.340 20.196 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 684 66.656 19.517 0.030 1.00 0.00 H new ATOM 0 HB3 HIS A 684 66.547 18.720 -1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 684 66.026 20.893 -3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 684 68.639 23.494 -1.646 1.00 0.00 H new ATOM 0 HE2 HIS A 684 67.297 23.201 -3.813 1.00 0.00 H new ATOM 33 N HIS A 685 63.061 18.074 -1.626 1.00 0.00 N ATOM 34 CA HIS A 685 62.465 16.748 -1.756 1.00 0.00 C ATOM 35 C HIS A 685 61.604 16.672 -3.013 1.00 0.00 C ATOM 36 O HIS A 685 62.040 16.141 -4.035 1.00 0.00 O ATOM 37 CB HIS A 685 61.607 16.437 -0.522 1.00 0.00 C ATOM 38 CG HIS A 685 61.983 15.090 0.034 1.00 0.00 C ATOM 39 ND1 HIS A 685 61.962 13.942 -0.742 1.00 0.00 N ATOM 40 CD2 HIS A 685 62.184 14.658 1.321 1.00 0.00 C ATOM 41 CE1 HIS A 685 62.377 12.926 0.034 1.00 0.00 C ATOM 42 NE2 HIS A 685 62.466 13.295 1.316 1.00 0.00 N ATOM 0 H HIS A 685 62.592 18.803 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 685 63.266 16.013 -1.833 1.00 0.00 H new ATOM 0 HB2 HIS A 685 61.751 17.207 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 685 60.551 16.448 -0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 685 62.131 15.280 2.202 1.00 0.00 H new ATOM 0 HE1 HIS A 685 62.609 11.937 -0.332 1.00 0.00 H new ATOM 0 HE2 HIS A 685 62.692 12.705 2.117 1.00 0.00 H new ATOM 50 N GLN A 686 60.492 17.411 -2.997 1.00 0.00 N ATOM 51 CA GLN A 686 59.557 17.418 -4.120 1.00 0.00 C ATOM 52 C GLN A 686 59.017 16.013 -4.388 1.00 0.00 C ATOM 53 O GLN A 686 59.702 15.176 -4.978 1.00 0.00 O ATOM 54 CB GLN A 686 60.245 17.961 -5.379 1.00 0.00 C ATOM 55 CG GLN A 686 59.271 18.855 -6.154 1.00 0.00 C ATOM 56 CD GLN A 686 59.118 20.199 -5.446 1.00 0.00 C ATOM 57 OE1 GLN A 686 58.064 20.486 -4.880 1.00 0.00 O ATOM 58 NE2 GLN A 686 60.131 21.020 -5.398 1.00 0.00 N ATOM 0 H GLN A 686 60.219 18.011 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 686 58.720 18.067 -3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 686 61.134 18.528 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 686 60.576 17.136 -6.009 1.00 0.00 H new ATOM 0 HG2 GLN A 686 59.636 19.009 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 686 58.301 18.365 -6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 686 61.004 20.781 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 686 60.050 21.901 -4.891 1.00 0.00 H new ATOM 67 N LYS A 687 57.769 15.780 -3.990 1.00 0.00 N ATOM 68 CA LYS A 687 57.152 14.466 -4.152 1.00 0.00 C ATOM 69 C LYS A 687 55.700 14.604 -4.603 1.00 0.00 C ATOM 70 O LYS A 687 55.027 15.578 -4.265 1.00 0.00 O ATOM 71 CB LYS A 687 57.211 13.693 -2.830 1.00 0.00 C ATOM 72 CG LYS A 687 56.445 14.461 -1.746 1.00 0.00 C ATOM 73 CD LYS A 687 56.595 13.737 -0.403 1.00 0.00 C ATOM 74 CE LYS A 687 55.455 14.148 0.532 1.00 0.00 C ATOM 75 NZ LYS A 687 55.887 13.981 1.948 1.00 0.00 N1+ ATOM 0 H LYS A 687 57.168 16.480 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 687 57.704 13.919 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 687 56.780 12.700 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 687 58.248 13.553 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 687 56.828 15.479 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 687 55.391 14.537 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 687 56.582 12.658 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 687 57.556 13.983 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 687 55.174 15.185 0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 687 54.573 13.539 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 55.112 14.260 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 56.134 12.986 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 56.717 14.580 2.131 1.00 0.00 H new ATOM 89 N LEU A 688 55.186 13.550 -5.233 1.00 0.00 N ATOM 90 CA LEU A 688 53.814 13.554 -5.730 1.00 0.00 C ATOM 91 C LEU A 688 53.384 12.140 -6.103 1.00 0.00 C ATOM 92 O LEU A 688 52.322 11.679 -5.683 1.00 0.00 O ATOM 93 CB LEU A 688 53.705 14.465 -6.958 1.00 0.00 C ATOM 94 CG LEU A 688 52.250 14.506 -7.447 1.00 0.00 C ATOM 95 CD1 LEU A 688 51.806 15.961 -7.617 1.00 0.00 C ATOM 96 CD2 LEU A 688 52.137 13.777 -8.790 1.00 0.00 C ATOM 0 H LEU A 688 55.698 12.686 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 688 53.159 13.929 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 688 54.043 15.471 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 688 54.355 14.099 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 688 51.610 14.015 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 688 50.773 15.988 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 688 51.881 16.478 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 688 52.447 16.454 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 688 51.103 13.808 -9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 688 52.779 14.265 -9.524 1.00 0.00 H new ATOM 0 HD23 LEU A 688 52.448 12.740 -8.668 1.00 0.00 H new ATOM 108 N VAL A 689 54.311 11.393 -6.698 1.00 0.00 N ATOM 109 CA VAL A 689 54.022 10.038 -7.153 1.00 0.00 C ATOM 110 C VAL A 689 53.691 9.127 -5.971 1.00 0.00 C ATOM 111 O VAL A 689 52.946 8.158 -6.120 1.00 0.00 O ATOM 112 CB VAL A 689 55.229 9.476 -7.916 1.00 0.00 C ATOM 113 CG1 VAL A 689 55.464 10.305 -9.183 1.00 0.00 C ATOM 114 CG2 VAL A 689 56.479 9.531 -7.027 1.00 0.00 C ATOM 0 H VAL A 689 55.266 11.703 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 689 53.157 10.075 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 689 55.030 8.440 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.321 9.906 -9.725 1.00 0.00 H new ATOM 0 HG12 VAL A 689 54.579 10.258 -9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 689 55.659 11.342 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 689 57.333 9.131 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 689 56.680 10.565 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 689 56.313 8.937 -6.129 1.00 0.00 H new ATOM 124 N PHE A 690 54.075 9.567 -4.774 1.00 0.00 N ATOM 125 CA PHE A 690 53.833 8.787 -3.565 1.00 0.00 C ATOM 126 C PHE A 690 52.397 8.972 -3.084 1.00 0.00 C ATOM 127 O PHE A 690 51.691 7.998 -2.817 1.00 0.00 O ATOM 128 CB PHE A 690 54.806 9.222 -2.463 1.00 0.00 C ATOM 129 CG PHE A 690 55.179 8.029 -1.614 1.00 0.00 C ATOM 130 CD1 PHE A 690 56.141 7.118 -2.069 1.00 0.00 C ATOM 131 CD2 PHE A 690 54.580 7.843 -0.361 1.00 0.00 C ATOM 132 CE1 PHE A 690 56.460 5.995 -1.299 1.00 0.00 C ATOM 133 CE2 PHE A 690 54.948 6.754 0.437 1.00 0.00 C ATOM 134 CZ PHE A 690 55.880 5.823 -0.037 1.00 0.00 C ATOM 0 H PHE A 690 54.552 10.455 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 690 53.991 7.733 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 690 55.701 9.659 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 690 54.348 9.993 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 690 56.636 7.283 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 690 53.834 8.541 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 690 57.154 5.260 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 690 54.513 6.632 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 690 56.151 4.973 0.571 1.00 0.00 H new ATOM 144 N PHE A 691 51.959 10.226 -3.012 1.00 0.00 N ATOM 145 CA PHE A 691 50.606 10.535 -2.563 1.00 0.00 C ATOM 146 C PHE A 691 49.600 10.297 -3.685 1.00 0.00 C ATOM 147 O PHE A 691 48.418 10.059 -3.430 1.00 0.00 O ATOM 148 CB PHE A 691 50.529 11.997 -2.107 1.00 0.00 C ATOM 149 CG PHE A 691 49.674 12.095 -0.863 1.00 0.00 C ATOM 150 CD1 PHE A 691 50.236 11.833 0.393 1.00 0.00 C ATOM 151 CD2 PHE A 691 48.295 12.310 -0.980 1.00 0.00 C ATOM 152 CE1 PHE A 691 49.435 11.881 1.540 1.00 0.00 C ATOM 153 CE2 PHE A 691 47.507 12.420 0.171 1.00 0.00 C ATOM 154 CZ PHE A 691 48.073 12.188 1.432 1.00 0.00 C ATOM 0 H PHE A 691 52.520 11.042 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 691 50.362 9.879 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 691 51.530 12.379 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 691 50.107 12.614 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 691 51.286 11.594 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 691 47.841 12.391 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 691 49.868 11.681 2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 691 46.463 12.684 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 691 47.460 12.246 2.319 1.00 0.00 H new ATOM 164 N ALA A 692 50.056 10.471 -4.921 1.00 0.00 N ATOM 165 CA ALA A 692 49.219 10.201 -6.085 1.00 0.00 C ATOM 166 C ALA A 692 49.001 8.697 -6.259 1.00 0.00 C ATOM 167 O ALA A 692 48.100 8.277 -6.986 1.00 0.00 O ATOM 168 CB ALA A 692 49.879 10.774 -7.343 1.00 0.00 C ATOM 0 H ALA A 692 50.997 10.797 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 692 48.251 10.677 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 692 49.250 10.570 -8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 692 50.003 11.851 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 692 50.855 10.310 -7.486 1.00 0.00 H new ATOM 174 N GLU A 693 49.746 7.902 -5.493 1.00 0.00 N ATOM 175 CA GLU A 693 49.590 6.449 -5.527 1.00 0.00 C ATOM 176 C GLU A 693 48.256 6.031 -4.910 1.00 0.00 C ATOM 177 O GLU A 693 47.790 4.910 -5.124 1.00 0.00 O ATOM 178 CB GLU A 693 50.741 5.788 -4.761 1.00 0.00 C ATOM 179 CG GLU A 693 50.928 4.349 -5.254 1.00 0.00 C ATOM 180 CD GLU A 693 51.533 3.487 -4.147 1.00 0.00 C ATOM 181 OE1 GLU A 693 50.796 3.109 -3.249 1.00 0.00 O ATOM 182 OE2 GLU A 693 52.711 3.181 -4.236 1.00 0.00 O1- ATOM 0 H GLU A 693 50.459 8.237 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 693 49.607 6.124 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 693 51.661 6.355 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 693 50.529 5.792 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 693 49.968 3.935 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.577 4.338 -6.129 1.00 0.00 H new ATOM 189 N ASP A 694 47.557 7.001 -4.325 1.00 0.00 N ATOM 190 CA ASP A 694 46.327 6.718 -3.594 1.00 0.00 C ATOM 191 C ASP A 694 45.184 6.407 -4.555 1.00 0.00 C ATOM 192 O ASP A 694 44.154 5.863 -4.149 1.00 0.00 O ATOM 193 CB ASP A 694 45.956 7.926 -2.730 1.00 0.00 C ATOM 194 CG ASP A 694 46.764 7.914 -1.434 1.00 0.00 C ATOM 195 OD1 ASP A 694 47.963 7.696 -1.511 1.00 0.00 O ATOM 196 OD2 ASP A 694 46.217 8.321 -0.424 1.00 0.00 O1- ATOM 0 H ASP A 694 47.821 7.986 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 694 46.493 5.847 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 694 46.148 8.848 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 694 44.890 7.907 -2.503 1.00 0.00 H new ATOM 201 N VAL A 695 45.432 6.622 -5.843 1.00 0.00 N ATOM 202 CA VAL A 695 44.467 6.258 -6.877 1.00 0.00 C ATOM 203 C VAL A 695 44.274 4.745 -6.936 1.00 0.00 C ATOM 204 O VAL A 695 43.288 4.262 -7.495 1.00 0.00 O ATOM 205 CB VAL A 695 44.949 6.769 -8.240 1.00 0.00 C ATOM 206 CG1 VAL A 695 45.065 8.294 -8.198 1.00 0.00 C ATOM 207 CG2 VAL A 695 46.321 6.168 -8.573 1.00 0.00 C ATOM 0 H VAL A 695 46.290 7.045 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 695 43.511 6.719 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 695 44.232 6.472 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL A 695 45.408 8.660 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 695 44.091 8.727 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 695 45.779 8.583 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 695 46.654 6.537 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 695 47.041 6.458 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 695 46.244 5.081 -8.605 1.00 0.00 H new ATOM 217 N GLY A 696 45.280 4.005 -6.479 1.00 0.00 N ATOM 218 CA GLY A 696 45.188 2.549 -6.428 1.00 0.00 C ATOM 219 C GLY A 696 44.260 2.107 -5.302 1.00 0.00 C ATOM 220 O GLY A 696 44.613 2.207 -4.126 1.00 0.00 O ATOM 0 H GLY A 696 46.163 4.386 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 696 44.819 2.169 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 696 46.180 2.122 -6.278 1.00 0.00 H new ATOM 224 N SER A 697 43.010 1.822 -5.659 1.00 0.00 N ATOM 225 CA SER A 697 42.030 1.346 -4.687 1.00 0.00 C ATOM 226 C SER A 697 41.190 0.220 -5.283 1.00 0.00 C ATOM 227 O SER A 697 40.312 0.465 -6.113 1.00 0.00 O ATOM 228 CB SER A 697 41.116 2.500 -4.258 1.00 0.00 C ATOM 229 OG SER A 697 40.863 3.344 -5.371 1.00 0.00 O ATOM 0 H SER A 697 42.653 1.912 -6.610 1.00 0.00 H new ATOM 0 HA SER A 697 42.563 0.964 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 697 40.178 2.108 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 697 41.584 3.070 -3.455 1.00 0.00 H new ATOM 0 HG SER A 697 40.537 2.806 -6.122 1.00 0.00 H new ATOM 235 N ASN A 698 41.613 -1.015 -5.022 1.00 0.00 N ATOM 236 CA ASN A 698 40.875 -2.188 -5.483 1.00 0.00 C ATOM 237 C ASN A 698 41.363 -3.439 -4.761 1.00 0.00 C ATOM 238 O ASN A 698 42.568 -3.646 -4.610 1.00 0.00 O ATOM 239 CB ASN A 698 41.061 -2.362 -6.995 1.00 0.00 C ATOM 240 CG ASN A 698 39.704 -2.448 -7.684 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.173 -1.435 -8.142 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.105 -3.603 -7.780 1.00 0.00 N ATOM 0 H ASN A 698 42.460 -1.229 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 698 39.817 -2.042 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.630 -1.524 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.638 -3.265 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 698 38.195 -3.669 -8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.547 -4.440 -7.400 1.00 0.00 H new ATOM 249 N LYS A 699 40.425 -4.282 -4.332 1.00 0.00 N ATOM 250 CA LYS A 699 40.777 -5.503 -3.608 1.00 0.00 C ATOM 251 C LYS A 699 41.673 -6.395 -4.462 1.00 0.00 C ATOM 252 O LYS A 699 42.716 -6.860 -3.998 1.00 0.00 O ATOM 253 CB LYS A 699 39.509 -6.271 -3.227 1.00 0.00 C ATOM 254 CG LYS A 699 38.551 -5.345 -2.471 1.00 0.00 C ATOM 255 CD LYS A 699 37.640 -6.179 -1.565 1.00 0.00 C ATOM 256 CE LYS A 699 36.559 -5.281 -0.959 1.00 0.00 C ATOM 257 NZ LYS A 699 35.814 -6.035 0.087 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.424 -4.144 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 699 41.317 -5.221 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.024 -6.658 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.765 -7.130 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.116 -4.628 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 699 37.952 -4.770 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 699 37.180 -6.984 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 699 38.226 -6.645 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.013 -4.390 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 699 35.874 -4.944 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 35.080 -5.424 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 35.369 -6.873 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 36.473 -6.335 0.834 1.00 0.00 H new ATOM 271 N GLY A 700 41.376 -6.443 -5.759 1.00 0.00 N ATOM 272 CA GLY A 700 42.175 -7.235 -6.691 1.00 0.00 C ATOM 273 C GLY A 700 43.569 -6.635 -6.857 1.00 0.00 C ATOM 274 O GLY A 700 44.572 -7.336 -6.720 1.00 0.00 O ATOM 0 H GLY A 700 40.594 -5.947 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.256 -8.259 -6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.676 -7.279 -7.659 1.00 0.00 H new ATOM 278 N ALA A 701 43.622 -5.312 -7.002 1.00 0.00 N ATOM 279 CA ALA A 701 44.898 -4.603 -7.056 1.00 0.00 C ATOM 280 C ALA A 701 45.695 -4.829 -5.775 1.00 0.00 C ATOM 281 O ALA A 701 46.810 -5.347 -5.822 1.00 0.00 O ATOM 282 CB ALA A 701 44.655 -3.105 -7.250 1.00 0.00 C ATOM 0 H ALA A 701 42.801 -4.713 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 701 45.471 -4.991 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.611 -2.583 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.114 -2.942 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.066 -2.721 -6.417 1.00 0.00 H new ATOM 288 N ILE A 702 45.025 -4.665 -4.638 1.00 0.00 N ATOM 289 CA ILE A 702 45.700 -4.696 -3.344 1.00 0.00 C ATOM 290 C ILE A 702 46.497 -5.989 -3.182 1.00 0.00 C ATOM 291 O ILE A 702 47.641 -5.965 -2.724 1.00 0.00 O ATOM 292 CB ILE A 702 44.661 -4.575 -2.220 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.236 -3.108 -2.073 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.258 -5.070 -0.896 1.00 0.00 C ATOM 295 CD1 ILE A 702 42.907 -3.027 -1.316 1.00 0.00 C ATOM 0 H ILE A 702 44.018 -4.510 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 702 46.394 -3.857 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 702 43.793 -5.185 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.004 -2.549 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.134 -2.649 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.513 -4.980 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.555 -6.114 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.131 -4.468 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.609 -1.983 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.140 -3.571 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.024 -3.469 -0.327 1.00 0.00 H new ATOM 307 N ILE A 703 45.966 -7.075 -3.742 1.00 0.00 N ATOM 308 CA ILE A 703 46.664 -8.358 -3.720 1.00 0.00 C ATOM 309 C ILE A 703 47.928 -8.297 -4.578 1.00 0.00 C ATOM 310 O ILE A 703 49.025 -8.583 -4.098 1.00 0.00 O ATOM 311 CB ILE A 703 45.736 -9.464 -4.240 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.555 -9.639 -3.277 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.512 -10.783 -4.343 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.423 -10.396 -3.980 1.00 0.00 C ATOM 0 H ILE A 703 45.061 -7.092 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 703 46.951 -8.580 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 703 45.363 -9.186 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.875 -10.185 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.200 -8.665 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.850 -11.566 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.349 -10.660 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.889 -11.061 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.586 -10.519 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.096 -9.832 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.781 -11.376 -4.294 1.00 0.00 H new ATOM 326 N GLY A 704 47.787 -7.769 -5.793 1.00 0.00 N ATOM 327 CA GLY A 704 48.898 -7.729 -6.739 1.00 0.00 C ATOM 328 C GLY A 704 49.923 -6.672 -6.336 1.00 0.00 C ATOM 329 O GLY A 704 51.123 -6.838 -6.562 1.00 0.00 O ATOM 0 H GLY A 704 46.918 -7.365 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.377 -8.707 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.521 -7.513 -7.739 1.00 0.00 H new ATOM 333 N LEU A 705 49.440 -5.592 -5.728 1.00 0.00 N ATOM 334 CA LEU A 705 50.320 -4.529 -5.252 1.00 0.00 C ATOM 335 C LEU A 705 51.252 -5.045 -4.158 1.00 0.00 C ATOM 336 O LEU A 705 52.415 -4.646 -4.094 1.00 0.00 O ATOM 337 CB LEU A 705 49.483 -3.370 -4.709 1.00 0.00 C ATOM 338 CG LEU A 705 48.770 -2.674 -5.872 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.686 -1.740 -5.326 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.783 -1.862 -6.686 1.00 0.00 C ATOM 0 H LEU A 705 48.448 -5.430 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 705 50.926 -4.183 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.753 -3.739 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.121 -2.661 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 705 48.310 -3.426 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.180 -1.246 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.962 -2.319 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.143 -0.990 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.273 -1.368 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.247 -1.112 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.551 -2.528 -7.080 1.00 0.00 H new ATOM 352 N MET A 706 50.803 -6.078 -3.448 1.00 0.00 N ATOM 353 CA MET A 706 51.586 -6.646 -2.355 1.00 0.00 C ATOM 354 C MET A 706 52.841 -7.335 -2.886 1.00 0.00 C ATOM 355 O MET A 706 53.891 -7.311 -2.242 1.00 0.00 O ATOM 356 CB MET A 706 50.733 -7.658 -1.585 1.00 0.00 C ATOM 357 CG MET A 706 50.877 -7.415 -0.082 1.00 0.00 C ATOM 358 SD MET A 706 52.605 -7.651 0.408 1.00 0.00 S ATOM 359 CE MET A 706 52.577 -6.566 1.858 1.00 0.00 C ATOM 0 H MET A 706 49.906 -6.536 -3.609 1.00 0.00 H new ATOM 0 HA MET A 706 51.890 -5.837 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.688 -7.566 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.045 -8.673 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.553 -6.404 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.235 -8.101 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.561 -6.560 2.327 1.00 0.00 H new ATOM 0 HE2 MET A 706 52.315 -5.554 1.550 1.00 0.00 H new ATOM 0 HE3 MET A 706 51.838 -6.931 2.571 1.00 0.00 H new ATOM 369 N VAL A 707 52.763 -7.816 -4.126 1.00 0.00 N ATOM 370 CA VAL A 707 53.906 -8.467 -4.756 1.00 0.00 C ATOM 371 C VAL A 707 55.064 -7.483 -4.911 1.00 0.00 C ATOM 372 O VAL A 707 56.187 -7.769 -4.494 1.00 0.00 O ATOM 373 CB VAL A 707 53.508 -9.009 -6.133 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.717 -9.694 -6.780 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.368 -10.022 -5.976 1.00 0.00 C ATOM 0 H VAL A 707 51.927 -7.767 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 707 54.226 -9.292 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 707 53.175 -8.186 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.435 -10.080 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.526 -8.973 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.050 -10.517 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.086 -10.407 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.698 -10.846 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.508 -9.534 -5.516 1.00 0.00 H new ATOM 385 N GLY A 708 54.740 -6.267 -5.341 1.00 0.00 N ATOM 386 CA GLY A 708 55.741 -5.210 -5.455 1.00 0.00 C ATOM 387 C GLY A 708 55.985 -4.539 -4.106 1.00 0.00 C ATOM 388 O GLY A 708 56.921 -3.752 -3.960 1.00 0.00 O ATOM 0 H GLY A 708 53.797 -5.990 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.675 -5.628 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.409 -4.467 -6.180 1.00 0.00 H new ATOM 392 N GLY A 709 55.231 -4.963 -3.094 1.00 0.00 N ATOM 393 CA GLY A 709 55.361 -4.390 -1.757 1.00 0.00 C ATOM 394 C GLY A 709 56.433 -5.120 -0.952 1.00 0.00 C ATOM 395 O GLY A 709 56.444 -5.058 0.278 1.00 0.00 O ATOM 0 H GLY A 709 54.527 -5.697 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.615 -3.333 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.405 -4.451 -1.236 1.00 0.00 H new ATOM 399 N VAL A 710 57.380 -5.737 -1.656 1.00 0.00 N ATOM 400 CA VAL A 710 58.510 -6.390 -1.001 1.00 0.00 C ATOM 401 C VAL A 710 59.609 -5.374 -0.693 1.00 0.00 C ATOM 402 O VAL A 710 60.224 -5.421 0.372 1.00 0.00 O ATOM 403 CB VAL A 710 59.066 -7.497 -1.905 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.371 -8.044 -1.315 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.040 -8.630 -2.009 1.00 0.00 C ATOM 0 H VAL A 710 57.387 -5.798 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 710 58.165 -6.827 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 710 59.264 -7.088 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.761 -8.830 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.102 -7.239 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.179 -8.452 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.433 -9.418 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.843 -9.035 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.113 -8.244 -2.434 1.00 0.00 H new ATOM 415 N VAL A 711 59.938 -4.550 -1.684 1.00 0.00 N ATOM 416 CA VAL A 711 61.017 -3.578 -1.531 1.00 0.00 C ATOM 417 C VAL A 711 60.683 -2.573 -0.430 1.00 0.00 C ATOM 418 O VAL A 711 61.456 -2.405 0.513 1.00 0.00 O ATOM 419 CB VAL A 711 61.253 -2.841 -2.857 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.965 -2.140 -3.303 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.366 -1.803 -2.675 1.00 0.00 C ATOM 0 H VAL A 711 59.478 -4.535 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 711 61.925 -4.112 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 711 61.548 -3.562 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.141 -1.620 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.177 -2.880 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.660 -1.421 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.533 -1.280 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.073 -1.086 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 711 63.285 -2.304 -2.370 1.00 0.00 H new ATOM 431 N ILE A 712 59.442 -2.093 -0.439 1.00 0.00 N ATOM 432 CA ILE A 712 58.997 -1.129 0.561 1.00 0.00 C ATOM 433 C ILE A 712 58.867 -1.797 1.927 1.00 0.00 C ATOM 434 O ILE A 712 59.166 -1.185 2.952 1.00 0.00 O ATOM 435 CB ILE A 712 57.648 -0.527 0.145 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.288 0.630 1.087 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.559 -1.604 0.215 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.015 1.322 0.592 1.00 0.00 C ATOM 0 H ILE A 712 58.732 -2.354 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 712 59.739 -0.334 0.630 1.00 0.00 H new ATOM 0 HB ILE A 712 57.720 -0.153 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.139 0.254 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.109 1.346 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.602 -1.174 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.813 -2.422 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.487 -1.983 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.763 2.143 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.180 1.712 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.195 0.604 0.572 1.00 0.00 H new ATOM 450 N ALA A 713 58.588 -3.100 1.917 1.00 0.00 N ATOM 451 CA ALA A 713 58.456 -3.855 3.157 1.00 0.00 C ATOM 452 C ALA A 713 59.762 -3.824 3.944 1.00 0.00 C ATOM 453 O ALA A 713 59.799 -3.317 5.063 1.00 0.00 O ATOM 454 CB ALA A 713 58.076 -5.307 2.853 1.00 0.00 C ATOM 0 H ALA A 713 58.450 -3.649 1.069 1.00 0.00 H new ATOM 0 HA ALA A 713 57.671 -3.394 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.980 -5.861 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.127 -5.330 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.850 -5.765 2.237 1.00 0.00 H new ATOM 460 N THR A 714 60.861 -4.121 3.257 1.00 0.00 N ATOM 461 CA THR A 714 62.175 -4.109 3.894 1.00 0.00 C ATOM 462 C THR A 714 62.506 -2.711 4.408 1.00 0.00 C ATOM 463 O THR A 714 63.024 -2.559 5.515 1.00 0.00 O ATOM 464 CB THR A 714 63.253 -4.558 2.899 1.00 0.00 C ATOM 465 OG1 THR A 714 62.641 -5.116 1.746 1.00 0.00 O ATOM 466 CG2 THR A 714 64.152 -5.610 3.556 1.00 0.00 C ATOM 0 H THR A 714 60.870 -4.371 2.268 1.00 0.00 H new ATOM 0 HA THR A 714 62.153 -4.801 4.736 1.00 0.00 H new ATOM 0 HB THR A 714 63.852 -3.695 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.333 -5.400 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.917 -5.928 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.629 -5.182 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.550 -6.470 3.851 1.00 0.00 H new ATOM 474 N VAL A 715 61.984 -1.701 3.714 1.00 0.00 N ATOM 475 CA VAL A 715 62.313 -0.317 4.026 1.00 0.00 C ATOM 476 C VAL A 715 61.563 0.140 5.276 1.00 0.00 C ATOM 477 O VAL A 715 62.181 0.518 6.272 1.00 0.00 O ATOM 478 CB VAL A 715 61.947 0.584 2.839 1.00 0.00 C ATOM 479 CG1 VAL A 715 62.244 2.047 3.188 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.769 0.175 1.610 1.00 0.00 C ATOM 0 H VAL A 715 61.335 -1.817 2.936 1.00 0.00 H new ATOM 0 HA VAL A 715 63.384 -0.245 4.216 1.00 0.00 H new ATOM 0 HB VAL A 715 60.885 0.474 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.983 2.683 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.656 2.340 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 715 63.305 2.159 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 715 62.508 0.816 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.831 0.281 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.553 -0.863 1.357 1.00 0.00 H new ATOM 490 N ILE A 716 60.257 -0.115 5.293 1.00 0.00 N ATOM 491 CA ILE A 716 59.410 0.331 6.398 1.00 0.00 C ATOM 492 C ILE A 716 59.560 -0.597 7.602 1.00 0.00 C ATOM 493 O ILE A 716 59.325 -0.191 8.742 1.00 0.00 O ATOM 494 CB ILE A 716 57.942 0.372 5.954 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.509 -1.010 5.441 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.779 1.406 4.834 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.704 -1.737 6.522 1.00 0.00 C ATOM 0 H ILE A 716 59.764 -0.625 4.560 1.00 0.00 H new ATOM 0 HA ILE A 716 59.726 1.333 6.689 1.00 0.00 H new ATOM 0 HB ILE A 716 57.318 0.648 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.907 -0.901 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 716 58.386 -1.598 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.737 1.437 4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 716 58.076 2.389 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 716 58.408 1.128 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.400 -2.716 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 716 57.320 -1.861 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.819 -1.152 6.771 1.00 0.00 H new ATOM 509 N VAL A 717 59.979 -1.834 7.344 1.00 0.00 N ATOM 510 CA VAL A 717 60.217 -2.795 8.416 1.00 0.00 C ATOM 511 C VAL A 717 61.397 -2.352 9.277 1.00 0.00 C ATOM 512 O VAL A 717 61.318 -2.364 10.505 1.00 0.00 O ATOM 513 CB VAL A 717 60.496 -4.182 7.822 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.176 -5.073 8.868 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.175 -4.827 7.387 1.00 0.00 C ATOM 0 H VAL A 717 60.160 -2.192 6.406 1.00 0.00 H new ATOM 0 HA VAL A 717 59.327 -2.845 9.043 1.00 0.00 H new ATOM 0 HB VAL A 717 61.154 -4.074 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.370 -6.056 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.118 -4.619 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.524 -5.179 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.373 -5.812 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.517 -4.927 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.694 -4.200 6.636 1.00 0.00 H new ATOM 525 N ILE A 718 62.474 -1.924 8.621 1.00 0.00 N ATOM 526 CA ILE A 718 63.642 -1.417 9.334 1.00 0.00 C ATOM 527 C ILE A 718 63.260 -0.226 10.209 1.00 0.00 C ATOM 528 O ILE A 718 63.656 -0.152 11.372 1.00 0.00 O ATOM 529 CB ILE A 718 64.726 -1.000 8.332 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.311 -2.251 7.665 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.840 -0.239 9.061 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.037 -1.857 6.376 1.00 0.00 C ATOM 0 H ILE A 718 62.561 -1.918 7.605 1.00 0.00 H new ATOM 0 HA ILE A 718 64.029 -2.210 9.974 1.00 0.00 H new ATOM 0 HB ILE A 718 64.287 -0.353 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.002 -2.748 8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.515 -2.962 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.608 0.055 8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.424 0.651 9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.281 -0.882 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.451 -2.748 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 718 65.334 -1.379 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.844 -1.162 6.610 1.00 0.00 H new ATOM 544 N THR A 719 62.344 0.597 9.704 1.00 0.00 N ATOM 545 CA THR A 719 61.821 1.716 10.482 1.00 0.00 C ATOM 546 C THR A 719 61.120 1.210 11.738 1.00 0.00 C ATOM 547 O THR A 719 61.447 1.635 12.847 1.00 0.00 O ATOM 548 CB THR A 719 60.832 2.527 9.635 1.00 0.00 C ATOM 549 OG1 THR A 719 61.226 2.480 8.272 1.00 0.00 O ATOM 550 CG2 THR A 719 60.820 3.982 10.112 1.00 0.00 C ATOM 0 H THR A 719 61.951 0.511 8.767 1.00 0.00 H new ATOM 0 HA THR A 719 62.656 2.353 10.774 1.00 0.00 H new ATOM 0 HB THR A 719 59.833 2.103 9.740 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.694 3.120 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.117 4.557 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.516 4.019 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.818 4.407 10.009 1.00 0.00 H new ATOM 558 N LEU A 720 60.359 0.130 11.577 1.00 0.00 N ATOM 559 CA LEU A 720 59.546 -0.397 12.667 1.00 0.00 C ATOM 560 C LEU A 720 60.428 -0.996 13.759 1.00 0.00 C ATOM 561 O LEU A 720 60.103 -0.917 14.944 1.00 0.00 O ATOM 562 CB LEU A 720 58.594 -1.472 12.128 1.00 0.00 C ATOM 563 CG LEU A 720 57.181 -1.227 12.668 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.515 -0.098 11.871 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.353 -2.509 12.532 1.00 0.00 C ATOM 0 H LEU A 720 60.289 -0.395 10.705 1.00 0.00 H new ATOM 0 HA LEU A 720 58.970 0.423 13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.586 -1.451 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.941 -2.461 12.426 1.00 0.00 H new ATOM 0 HG LEU A 720 57.238 -0.942 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.510 0.075 12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.104 0.814 11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.457 -0.380 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.348 -2.335 12.916 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.296 -2.796 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.826 -3.309 13.101 1.00 0.00 H new ATOM 577 N VAL A 721 61.578 -1.532 13.354 1.00 0.00 N ATOM 578 CA VAL A 721 62.562 -2.030 14.311 1.00 0.00 C ATOM 579 C VAL A 721 63.121 -0.886 15.155 1.00 0.00 C ATOM 580 O VAL A 721 63.271 -1.024 16.370 1.00 0.00 O ATOM 581 CB VAL A 721 63.704 -2.732 13.564 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.726 -3.269 14.573 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.136 -3.894 12.738 1.00 0.00 C ATOM 0 H VAL A 721 61.850 -1.632 12.376 1.00 0.00 H new ATOM 0 HA VAL A 721 62.071 -2.742 14.975 1.00 0.00 H new ATOM 0 HB VAL A 721 64.194 -2.020 12.900 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.536 -3.767 14.040 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.130 -2.442 15.157 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.239 -3.980 15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.946 -4.393 12.207 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.644 -4.606 13.401 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.413 -3.510 12.018 1.00 0.00 H new ATOM 593 N MET A 722 63.197 0.297 14.550 1.00 0.00 N ATOM 594 CA MET A 722 63.826 1.442 15.201 1.00 0.00 C ATOM 595 C MET A 722 62.866 2.094 16.192 1.00 0.00 C ATOM 596 O MET A 722 63.290 2.794 17.113 1.00 0.00 O ATOM 597 CB MET A 722 64.252 2.468 14.149 1.00 0.00 C ATOM 598 CG MET A 722 65.355 3.361 14.722 1.00 0.00 C ATOM 599 SD MET A 722 65.508 4.853 13.711 1.00 0.00 S ATOM 600 CE MET A 722 66.750 4.217 12.558 1.00 0.00 C ATOM 0 H MET A 722 62.833 0.487 13.616 1.00 0.00 H new ATOM 0 HA MET A 722 64.703 1.090 15.744 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.610 1.959 13.254 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.397 3.075 13.850 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.122 3.629 15.752 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.302 2.822 14.739 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.999 4.989 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.647 3.935 13.109 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.353 3.344 12.040 1.00 0.00 H new ATOM 610 N LEU A 723 61.569 1.929 15.940 1.00 0.00 N ATOM 611 CA LEU A 723 60.547 2.448 16.843 1.00 0.00 C ATOM 612 C LEU A 723 60.739 1.890 18.252 1.00 0.00 C ATOM 613 O LEU A 723 61.229 2.593 19.138 1.00 0.00 O ATOM 614 CB LEU A 723 59.154 2.077 16.322 1.00 0.00 C ATOM 615 CG LEU A 723 58.914 2.744 14.961 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.539 2.341 14.429 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.967 4.269 15.106 1.00 0.00 C ATOM 0 H LEU A 723 61.203 1.442 15.122 1.00 0.00 H new ATOM 0 HA LEU A 723 60.640 3.533 16.884 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.067 0.995 16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.392 2.397 17.033 1.00 0.00 H new ATOM 0 HG LEU A 723 59.690 2.419 14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.370 2.815 13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.496 1.258 14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.769 2.662 15.131 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.796 4.733 14.135 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.197 4.595 15.805 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.947 4.565 15.482 1.00 0.00 H new ATOM 629 N LYS A 724 60.592 0.572 18.379 1.00 0.00 N ATOM 630 CA LYS A 724 60.689 -0.087 19.680 1.00 0.00 C ATOM 631 C LYS A 724 61.332 -1.463 19.525 1.00 0.00 C ATOM 632 O LYS A 724 62.542 -1.560 19.309 1.00 0.00 O ATOM 633 CB LYS A 724 59.291 -0.231 20.301 1.00 0.00 C ATOM 634 CG LYS A 724 58.928 1.045 21.067 1.00 0.00 C ATOM 635 CD LYS A 724 59.500 0.971 22.490 1.00 0.00 C ATOM 636 CE LYS A 724 59.821 2.380 22.997 1.00 0.00 C ATOM 637 NZ LYS A 724 59.870 2.370 24.487 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.406 -0.059 17.599 1.00 0.00 H new ATOM 0 HA LYS A 724 61.310 0.522 20.337 1.00 0.00 H new ATOM 0 HB2 LYS A 724 58.554 -0.419 19.520 1.00 0.00 H new ATOM 0 HB3 LYS A 724 59.269 -1.088 20.974 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.326 1.918 20.549 1.00 0.00 H new ATOM 0 HG3 LYS A 724 57.845 1.163 21.105 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.782 0.491 23.155 1.00 0.00 H new ATOM 0 HD3 LYS A 724 60.401 0.358 22.497 1.00 0.00 H new ATOM 0 HE2 LYS A 724 60.776 2.715 22.593 1.00 0.00 H new ATOM 0 HE3 LYS A 724 59.064 3.084 22.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 60.088 3.326 24.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 58.949 2.067 24.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 60.608 1.710 24.806 1.00 0.00 H new ATOM 651 N LYS A 725 60.490 -2.482 19.351 1.00 0.00 N ATOM 652 CA LYS A 725 60.970 -3.854 19.205 1.00 0.00 C ATOM 653 C LYS A 725 62.060 -4.156 20.234 1.00 0.00 C ATOM 654 O LYS A 725 63.246 -4.187 19.900 1.00 0.00 O ATOM 655 CB LYS A 725 61.513 -4.068 17.787 1.00 0.00 C ATOM 656 CG LYS A 725 61.577 -5.569 17.484 1.00 0.00 C ATOM 657 CD LYS A 725 62.762 -5.856 16.558 1.00 0.00 C ATOM 658 CE LYS A 725 62.582 -7.226 15.897 1.00 0.00 C ATOM 659 NZ LYS A 725 62.240 -8.244 16.932 1.00 0.00 N1+ ATOM 0 H LYS A 725 59.476 -2.383 19.308 1.00 0.00 H new ATOM 0 HA LYS A 725 60.136 -4.534 19.377 1.00 0.00 H new ATOM 0 HB2 LYS A 725 60.872 -3.567 17.062 1.00 0.00 H new ATOM 0 HB3 LYS A 725 62.505 -3.625 17.695 1.00 0.00 H new ATOM 0 HG2 LYS A 725 61.682 -6.133 18.411 1.00 0.00 H new ATOM 0 HG3 LYS A 725 60.649 -5.896 17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 725 62.836 -5.081 15.795 1.00 0.00 H new ATOM 0 HD3 LYS A 725 63.692 -5.835 17.125 1.00 0.00 H new ATOM 0 HE2 LYS A 725 61.793 -7.177 15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 725 63.497 -7.513 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 62.431 -9.196 16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 62.817 -8.082 17.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 61.233 -8.165 17.177 1.00 0.00 H new ATOM 673 N LYS A 726 61.671 -4.149 21.507 1.00 0.00 N ATOM 674 CA LYS A 726 62.623 -4.390 22.586 1.00 0.00 C ATOM 675 C LYS A 726 63.226 -5.785 22.464 1.00 0.00 C ATOM 676 O LYS A 726 62.532 -6.785 22.648 1.00 0.00 O ATOM 677 CB LYS A 726 61.927 -4.246 23.945 1.00 0.00 C ATOM 678 CG LYS A 726 62.412 -2.969 24.638 1.00 0.00 C ATOM 679 CD LYS A 726 63.848 -3.165 25.139 1.00 0.00 C ATOM 680 CE LYS A 726 64.724 -2.001 24.666 1.00 0.00 C ATOM 681 NZ LYS A 726 64.248 -0.733 25.289 1.00 0.00 N1+ ATOM 0 H LYS A 726 60.713 -3.981 21.814 1.00 0.00 H new ATOM 0 HA LYS A 726 63.422 -3.653 22.511 1.00 0.00 H new ATOM 0 HB2 LYS A 726 60.846 -4.210 23.809 1.00 0.00 H new ATOM 0 HB3 LYS A 726 62.141 -5.114 24.568 1.00 0.00 H new ATOM 0 HG2 LYS A 726 62.370 -2.129 23.944 1.00 0.00 H new ATOM 0 HG3 LYS A 726 61.755 -2.725 25.473 1.00 0.00 H new ATOM 0 HD2 LYS A 726 63.859 -3.222 26.227 1.00 0.00 H new ATOM 0 HD3 LYS A 726 64.248 -4.108 24.766 1.00 0.00 H new ATOM 0 HE2 LYS A 726 65.764 -2.182 24.936 1.00 0.00 H new ATOM 0 HE3 LYS A 726 64.685 -1.921 23.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 64.968 0.007 25.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 63.362 -0.434 24.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 64.081 -0.886 26.304 1.00 0.00 H new ATOM 695 N GLN A 727 64.442 -5.840 21.929 1.00 0.00 N ATOM 696 CA GLN A 727 65.135 -7.110 21.748 1.00 0.00 C ATOM 697 C GLN A 727 65.627 -7.650 23.089 1.00 0.00 C ATOM 698 O GLN A 727 65.386 -7.047 24.136 1.00 0.00 O ATOM 699 CB GLN A 727 66.324 -6.918 20.801 1.00 0.00 C ATOM 700 CG GLN A 727 65.811 -6.683 19.378 1.00 0.00 C ATOM 701 CD GLN A 727 66.710 -5.685 18.652 1.00 0.00 C ATOM 702 OE1 GLN A 727 66.726 -4.502 18.994 1.00 0.00 O ATOM 703 NE2 GLN A 727 67.388 -6.075 17.609 1.00 0.00 N ATOM 0 H GLN A 727 64.966 -5.023 21.615 1.00 0.00 H new ATOM 0 HA GLN A 727 64.438 -7.829 21.318 1.00 0.00 H new ATOM 0 HB2 GLN A 727 66.928 -6.071 21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 727 66.968 -7.797 20.826 1.00 0.00 H new ATOM 0 HG2 GLN A 727 65.787 -7.626 18.832 1.00 0.00 H new ATOM 0 HG3 GLN A 727 64.789 -6.307 19.410 1.00 0.00 H new ATOM 0 HE21 GLN A 727 67.373 -7.055 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.934 -5.400 17.074 1.00 0.00 H new ATOM 712 N TYR A 728 66.230 -8.837 23.058 1.00 0.00 N ATOM 713 CA TYR A 728 66.645 -9.510 24.286 1.00 0.00 C ATOM 714 C TYR A 728 67.817 -8.775 24.935 1.00 0.00 C ATOM 715 O TYR A 728 68.471 -7.945 24.305 1.00 0.00 O ATOM 716 CB TYR A 728 67.052 -10.956 23.978 1.00 0.00 C ATOM 717 CG TYR A 728 66.305 -11.899 24.894 1.00 0.00 C ATOM 718 CD1 TYR A 728 66.724 -12.067 26.220 1.00 0.00 C ATOM 719 CD2 TYR A 728 65.216 -12.632 24.406 1.00 0.00 C ATOM 720 CE1 TYR A 728 66.029 -12.939 27.068 1.00 0.00 C ATOM 721 CE2 TYR A 728 64.561 -13.549 25.236 1.00 0.00 C ATOM 722 CZ TYR A 728 64.970 -13.705 26.566 1.00 0.00 C ATOM 723 OH TYR A 728 64.298 -14.578 27.396 1.00 0.00 O ATOM 0 H TYR A 728 66.441 -9.349 22.202 1.00 0.00 H new ATOM 0 HA TYR A 728 65.804 -9.509 24.979 1.00 0.00 H new ATOM 0 HB2 TYR A 728 66.831 -11.193 22.937 1.00 0.00 H new ATOM 0 HB3 TYR A 728 68.127 -11.078 24.112 1.00 0.00 H new ATOM 0 HD1 TYR A 728 67.582 -11.525 26.588 1.00 0.00 H new ATOM 0 HD2 TYR A 728 64.882 -12.490 23.389 1.00 0.00 H new ATOM 0 HE1 TYR A 728 66.310 -13.020 28.108 1.00 0.00 H new ATOM 0 HE2 TYR A 728 63.740 -14.136 24.851 1.00 0.00 H new ATOM 0 HH TYR A 728 63.591 -15.031 26.891 1.00 0.00 H new TER 733 TYR A 728