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= -1.75 K(o=-1.7,f=-5.9!) USER MOD Single : A 685 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-3.3!) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 687 LYS NZ :NH3+ -122:sc= -2.42! (180deg=-3.9!) USER MOD Single : A 697 SER OG : rot 24:sc= 0.445 USER MOD Single : A 698 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.96) 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 -23:sc= 0.983 USER MOD Single : A 719 THR OG1 : rot 14:sc= 0.701 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+ 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= -0.454 X(o=-0.45,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 59.508 0.210 -27.601 1.00 0.00 N ATOM 2 CA VAL A 683 58.327 -0.457 -27.065 1.00 0.00 C ATOM 3 C VAL A 683 58.507 -0.744 -25.578 1.00 0.00 C ATOM 4 O VAL A 683 57.638 -0.418 -24.766 1.00 0.00 O ATOM 5 CB VAL A 683 58.079 -1.772 -27.819 1.00 0.00 C ATOM 6 CG1 VAL A 683 56.844 -2.475 -27.243 1.00 0.00 C ATOM 7 CG2 VAL A 683 57.851 -1.474 -29.305 1.00 0.00 C ATOM 0 HA VAL A 683 57.468 0.201 -27.196 1.00 0.00 H new ATOM 0 HB VAL A 683 58.948 -2.421 -27.706 1.00 0.00 H new ATOM 0 HG11 VAL A 683 56.672 -3.407 -27.781 1.00 0.00 H new ATOM 0 HG12 VAL A 683 57.007 -2.690 -26.187 1.00 0.00 H new ATOM 0 HG13 VAL A 683 55.974 -1.828 -27.351 1.00 0.00 H new ATOM 0 HG21 VAL A 683 57.675 -2.407 -29.840 1.00 0.00 H new ATOM 0 HG22 VAL A 683 56.984 -0.823 -29.417 1.00 0.00 H new ATOM 0 HG23 VAL A 683 58.731 -0.980 -29.716 1.00 0.00 H new ATOM 16 N HIS A 684 59.628 -1.382 -25.234 1.00 0.00 N ATOM 17 CA HIS A 684 59.947 -1.675 -23.837 1.00 0.00 C ATOM 18 C HIS A 684 58.909 -2.616 -23.231 1.00 0.00 C ATOM 19 O HIS A 684 58.015 -3.096 -23.929 1.00 0.00 O ATOM 20 CB HIS A 684 60.005 -0.380 -23.018 1.00 0.00 C ATOM 21 CG HIS A 684 60.956 0.589 -23.667 1.00 0.00 C ATOM 22 ND1 HIS A 684 60.722 1.113 -24.929 1.00 0.00 N ATOM 23 CD2 HIS A 684 62.035 1.285 -23.175 1.00 0.00 C ATOM 24 CE1 HIS A 684 61.778 1.881 -25.237 1.00 0.00 C ATOM 25 NE2 HIS A 684 62.511 2.153 -24.155 1.00 0.00 N ATOM 0 H HIS A 684 60.328 -1.704 -25.902 1.00 0.00 H new ATOM 0 HA HIS A 684 60.922 -2.161 -23.810 1.00 0.00 H new ATOM 0 HB2 HIS A 684 59.011 0.062 -22.948 1.00 0.00 H new ATOM 0 HB3 HIS A 684 60.330 -0.596 -22.000 1.00 0.00 H new ATOM 0 HD2 HIS A 684 62.449 1.176 -22.183 1.00 0.00 H new ATOM 0 HE1 HIS A 684 62.006 2.234 -26.232 1.00 0.00 H new ATOM 0 HE2 HIS A 684 63.256 2.844 -24.066 1.00 0.00 H new ATOM 33 N HIS A 685 59.142 -3.006 -21.980 1.00 0.00 N ATOM 34 CA HIS A 685 58.248 -3.932 -21.290 1.00 0.00 C ATOM 35 C HIS A 685 57.626 -3.257 -20.069 1.00 0.00 C ATOM 36 O HIS A 685 57.383 -2.050 -20.074 1.00 0.00 O ATOM 37 CB HIS A 685 59.021 -5.182 -20.850 1.00 0.00 C ATOM 38 CG HIS A 685 59.921 -5.645 -21.964 1.00 0.00 C ATOM 39 ND1 HIS A 685 59.603 -5.462 -23.301 1.00 0.00 N ATOM 40 CD2 HIS A 685 61.091 -6.364 -21.959 1.00 0.00 C ATOM 41 CE1 HIS A 685 60.684 -5.819 -24.014 1.00 0.00 C ATOM 42 NE2 HIS A 685 61.564 -6.486 -23.263 1.00 0.00 N ATOM 0 H HIS A 685 59.940 -2.696 -21.425 1.00 0.00 H new ATOM 0 HA HIS A 685 57.454 -4.225 -21.977 1.00 0.00 H new ATOM 0 HB2 HIS A 685 59.612 -4.961 -19.961 1.00 0.00 H new ATOM 0 HB3 HIS A 685 58.324 -5.975 -20.580 1.00 0.00 H new ATOM 0 HD1 HIS A 685 58.716 -5.121 -23.673 1.00 0.00 H new ATOM 0 HD2 HIS A 685 61.570 -6.771 -21.081 1.00 0.00 H new ATOM 0 HE1 HIS A 685 60.824 -5.595 -25.061 1.00 0.00 H new ATOM 50 N GLN A 686 57.322 -4.054 -19.046 1.00 0.00 N ATOM 51 CA GLN A 686 56.709 -3.532 -17.829 1.00 0.00 C ATOM 52 C GLN A 686 57.668 -2.592 -17.103 1.00 0.00 C ATOM 53 O GLN A 686 57.520 -1.371 -17.173 1.00 0.00 O ATOM 54 CB GLN A 686 56.325 -4.691 -16.906 1.00 0.00 C ATOM 55 CG GLN A 686 55.292 -5.578 -17.607 1.00 0.00 C ATOM 56 CD GLN A 686 54.789 -6.656 -16.652 1.00 0.00 C ATOM 57 OE1 GLN A 686 54.402 -6.354 -15.522 1.00 0.00 O ATOM 58 NE2 GLN A 686 54.715 -7.892 -17.061 1.00 0.00 N ATOM 0 H GLN A 686 57.490 -5.060 -19.037 1.00 0.00 H new ATOM 0 HA GLN A 686 55.815 -2.972 -18.103 1.00 0.00 H new ATOM 0 HB2 GLN A 686 57.209 -5.275 -16.651 1.00 0.00 H new ATOM 0 HB3 GLN A 686 55.916 -4.306 -15.972 1.00 0.00 H new ATOM 0 HG2 GLN A 686 54.456 -4.971 -17.954 1.00 0.00 H new ATOM 0 HG3 GLN A 686 55.737 -6.041 -18.488 1.00 0.00 H new ATOM 0 HE21 GLN A 686 55.036 -8.140 -17.997 1.00 0.00 H new ATOM 0 HE22 GLN A 686 54.336 -8.611 -16.445 1.00 0.00 H new ATOM 67 N LYS A 687 58.733 -3.166 -16.543 1.00 0.00 N ATOM 68 CA LYS A 687 59.777 -2.379 -15.888 1.00 0.00 C ATOM 69 C LYS A 687 59.166 -1.374 -14.911 1.00 0.00 C ATOM 70 O LYS A 687 58.530 -1.777 -13.937 1.00 0.00 O ATOM 71 CB LYS A 687 60.623 -1.651 -16.941 1.00 0.00 C ATOM 72 CG LYS A 687 61.279 -2.681 -17.867 1.00 0.00 C ATOM 73 CD LYS A 687 62.599 -2.125 -18.407 1.00 0.00 C ATOM 74 CE LYS A 687 62.895 -2.745 -19.776 1.00 0.00 C ATOM 75 NZ LYS A 687 61.860 -2.307 -20.756 1.00 0.00 N1+ ATOM 0 H LYS A 687 58.895 -4.173 -16.530 1.00 0.00 H new ATOM 0 HA LYS A 687 60.418 -3.056 -15.323 1.00 0.00 H new ATOM 0 HB2 LYS A 687 59.997 -0.971 -17.520 1.00 0.00 H new ATOM 0 HB3 LYS A 687 61.387 -1.045 -16.454 1.00 0.00 H new ATOM 0 HG2 LYS A 687 61.459 -3.609 -17.324 1.00 0.00 H new ATOM 0 HG3 LYS A 687 60.609 -2.920 -18.693 1.00 0.00 H new ATOM 0 HD2 LYS A 687 62.540 -1.040 -18.493 1.00 0.00 H new ATOM 0 HD3 LYS A 687 63.410 -2.347 -17.713 1.00 0.00 H new ATOM 0 HE2 LYS A 687 63.885 -2.443 -20.117 1.00 0.00 H new ATOM 0 HE3 LYS A 687 62.902 -3.832 -19.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 61.387 -3.142 -21.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 61.158 -1.709 -20.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 62.312 -1.764 -21.519 1.00 0.00 H new ATOM 89 N LEU A 688 59.160 -0.098 -15.299 1.00 0.00 N ATOM 90 CA LEU A 688 58.714 0.975 -14.408 1.00 0.00 C ATOM 91 C LEU A 688 57.333 0.671 -13.832 1.00 0.00 C ATOM 92 O LEU A 688 56.985 1.142 -12.747 1.00 0.00 O ATOM 93 CB LEU A 688 58.659 2.298 -15.183 1.00 0.00 C ATOM 94 CG LEU A 688 59.735 3.258 -14.662 1.00 0.00 C ATOM 95 CD1 LEU A 688 61.124 2.642 -14.861 1.00 0.00 C ATOM 96 CD2 LEU A 688 59.647 4.583 -15.428 1.00 0.00 C ATOM 0 H LEU A 688 59.458 0.218 -16.222 1.00 0.00 H new ATOM 0 HA LEU A 688 59.424 1.053 -13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 688 58.810 2.112 -16.246 1.00 0.00 H new ATOM 0 HB3 LEU A 688 57.673 2.751 -15.075 1.00 0.00 H new ATOM 0 HG LEU A 688 59.574 3.438 -13.599 1.00 0.00 H new ATOM 0 HD11 LEU A 688 61.884 3.329 -14.489 1.00 0.00 H new ATOM 0 HD12 LEU A 688 61.187 1.701 -14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 688 61.291 2.457 -15.922 1.00 0.00 H new ATOM 0 HD21 LEU A 688 60.411 5.268 -15.060 1.00 0.00 H new ATOM 0 HD22 LEU A 688 59.806 4.400 -16.491 1.00 0.00 H new ATOM 0 HD23 LEU A 688 58.662 5.025 -15.279 1.00 0.00 H new ATOM 108 N VAL A 689 56.579 -0.165 -14.541 1.00 0.00 N ATOM 109 CA VAL A 689 55.227 -0.520 -14.123 1.00 0.00 C ATOM 110 C VAL A 689 55.257 -1.416 -12.884 1.00 0.00 C ATOM 111 O VAL A 689 54.211 -1.740 -12.321 1.00 0.00 O ATOM 112 CB VAL A 689 54.514 -1.244 -15.273 1.00 0.00 C ATOM 113 CG1 VAL A 689 53.089 -1.624 -14.854 1.00 0.00 C ATOM 114 CG2 VAL A 689 54.454 -0.321 -16.494 1.00 0.00 C ATOM 0 H VAL A 689 56.882 -0.609 -15.408 1.00 0.00 H new ATOM 0 HA VAL A 689 54.687 0.393 -13.870 1.00 0.00 H new ATOM 0 HB VAL A 689 55.067 -2.150 -15.520 1.00 0.00 H new ATOM 0 HG11 VAL A 689 52.592 -2.137 -15.677 1.00 0.00 H new ATOM 0 HG12 VAL A 689 53.128 -2.283 -13.987 1.00 0.00 H new ATOM 0 HG13 VAL A 689 52.532 -0.722 -14.600 1.00 0.00 H new ATOM 0 HG21 VAL A 689 53.948 -0.833 -17.313 1.00 0.00 H new ATOM 0 HG22 VAL A 689 53.905 0.585 -16.238 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.466 -0.058 -16.801 1.00 0.00 H new ATOM 124 N PHE A 690 56.461 -1.669 -12.367 1.00 0.00 N ATOM 125 CA PHE A 690 56.611 -2.406 -11.116 1.00 0.00 C ATOM 126 C PHE A 690 56.643 -1.444 -9.929 1.00 0.00 C ATOM 127 O PHE A 690 56.152 -1.766 -8.848 1.00 0.00 O ATOM 128 CB PHE A 690 57.897 -3.254 -11.155 1.00 0.00 C ATOM 129 CG PHE A 690 59.034 -2.531 -10.464 1.00 0.00 C ATOM 130 CD1 PHE A 690 59.294 -2.779 -9.110 1.00 0.00 C ATOM 131 CD2 PHE A 690 59.941 -1.771 -11.213 1.00 0.00 C ATOM 132 CE1 PHE A 690 60.340 -2.107 -8.468 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.916 -1.015 -10.554 1.00 0.00 C ATOM 134 CZ PHE A 690 61.149 -1.219 -9.188 1.00 0.00 C ATOM 0 H PHE A 690 57.340 -1.376 -12.794 1.00 0.00 H new ATOM 0 HA PHE A 690 55.755 -3.070 -10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 690 57.721 -4.214 -10.669 1.00 0.00 H new ATOM 0 HB3 PHE A 690 58.168 -3.465 -12.189 1.00 0.00 H new ATOM 0 HD1 PHE A 690 58.689 -3.487 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 690 59.888 -1.769 -12.292 1.00 0.00 H new ATOM 0 HE1 PHE A 690 60.524 -2.273 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 690 61.487 -0.276 -11.097 1.00 0.00 H new ATOM 0 HZ PHE A 690 61.951 -0.693 -8.691 1.00 0.00 H new ATOM 144 N PHE A 691 57.321 -0.315 -10.112 1.00 0.00 N ATOM 145 CA PHE A 691 57.535 0.623 -9.017 1.00 0.00 C ATOM 146 C PHE A 691 56.264 1.424 -8.748 1.00 0.00 C ATOM 147 O PHE A 691 55.737 1.412 -7.636 1.00 0.00 O ATOM 148 CB PHE A 691 58.689 1.572 -9.364 1.00 0.00 C ATOM 149 CG PHE A 691 58.633 2.798 -8.480 1.00 0.00 C ATOM 150 CD1 PHE A 691 58.867 2.676 -7.103 1.00 0.00 C ATOM 151 CD2 PHE A 691 58.157 4.007 -9.003 1.00 0.00 C ATOM 152 CE1 PHE A 691 58.569 3.743 -6.247 1.00 0.00 C ATOM 153 CE2 PHE A 691 57.838 5.064 -8.143 1.00 0.00 C ATOM 154 CZ PHE A 691 58.123 4.959 -6.777 1.00 0.00 C ATOM 0 H PHE A 691 57.729 -0.029 -11.002 1.00 0.00 H new ATOM 0 HA PHE A 691 57.790 0.062 -8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 691 59.643 1.061 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.627 1.866 -10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 691 59.277 1.760 -6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 691 58.036 4.124 -10.070 1.00 0.00 H new ATOM 0 HE1 PHE A 691 58.683 3.628 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 691 57.373 5.958 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 691 57.999 5.816 -6.132 1.00 0.00 H new ATOM 164 N ALA A 692 55.753 2.078 -9.788 1.00 0.00 N ATOM 165 CA ALA A 692 54.552 2.896 -9.656 1.00 0.00 C ATOM 166 C ALA A 692 53.333 2.026 -9.352 1.00 0.00 C ATOM 167 O ALA A 692 52.316 2.525 -8.870 1.00 0.00 O ATOM 168 CB ALA A 692 54.311 3.678 -10.949 1.00 0.00 C ATOM 0 H ALA A 692 56.150 2.057 -10.727 1.00 0.00 H new ATOM 0 HA ALA A 692 54.700 3.591 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.413 4.287 -10.844 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.166 4.324 -11.148 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.182 2.981 -11.777 1.00 0.00 H new ATOM 174 N GLU A 693 53.514 0.710 -9.459 1.00 0.00 N ATOM 175 CA GLU A 693 52.495 -0.237 -9.011 1.00 0.00 C ATOM 176 C GLU A 693 52.182 -0.040 -7.531 1.00 0.00 C ATOM 177 O GLU A 693 51.069 -0.308 -7.085 1.00 0.00 O ATOM 178 CB GLU A 693 52.981 -1.671 -9.240 1.00 0.00 C ATOM 179 CG GLU A 693 51.849 -2.659 -8.933 1.00 0.00 C ATOM 180 CD GLU A 693 52.096 -3.341 -7.589 1.00 0.00 C ATOM 181 OE1 GLU A 693 52.958 -4.204 -7.532 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 51.396 -3.013 -6.645 1.00 0.00 O ATOM 0 H GLU A 693 54.351 0.278 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 693 51.587 -0.058 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 693 53.312 -1.792 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 693 53.841 -1.879 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 693 50.894 -2.134 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.785 -3.407 -9.723 1.00 0.00 H new ATOM 189 N ASP A 694 53.134 0.539 -6.805 1.00 0.00 N ATOM 190 CA ASP A 694 52.980 0.735 -5.366 1.00 0.00 C ATOM 191 C ASP A 694 51.774 1.624 -5.057 1.00 0.00 C ATOM 192 O ASP A 694 51.437 1.831 -3.892 1.00 0.00 O ATOM 193 CB ASP A 694 54.250 1.375 -4.795 1.00 0.00 C ATOM 194 CG ASP A 694 54.301 2.862 -5.148 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.098 3.186 -6.308 1.00 0.00 O ATOM 196 OD2 ASP A 694 54.580 3.650 -4.261 1.00 0.00 O1- ATOM 0 H ASP A 694 54.016 0.879 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 694 52.816 -0.238 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 694 54.273 1.250 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 694 55.130 0.870 -5.193 1.00 0.00 H new ATOM 201 N VAL A 695 51.283 2.321 -6.081 1.00 0.00 N ATOM 202 CA VAL A 695 50.017 3.046 -5.973 1.00 0.00 C ATOM 203 C VAL A 695 48.843 2.069 -5.917 1.00 0.00 C ATOM 204 O VAL A 695 47.965 2.187 -5.063 1.00 0.00 O ATOM 205 CB VAL A 695 49.849 3.982 -7.179 1.00 0.00 C ATOM 206 CG1 VAL A 695 48.510 4.721 -7.077 1.00 0.00 C ATOM 207 CG2 VAL A 695 50.986 5.009 -7.206 1.00 0.00 C ATOM 0 H VAL A 695 51.739 2.399 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 695 50.031 3.633 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 695 49.873 3.388 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.394 5.384 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 695 47.695 3.997 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 695 48.487 5.308 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 695 50.860 5.669 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 695 50.966 5.598 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 695 51.942 4.491 -7.284 1.00 0.00 H new ATOM 217 N GLY A 696 48.821 1.120 -6.851 1.00 0.00 N ATOM 218 CA GLY A 696 47.682 0.217 -6.989 1.00 0.00 C ATOM 219 C GLY A 696 46.436 0.971 -7.452 1.00 0.00 C ATOM 220 O GLY A 696 46.535 1.992 -8.132 1.00 0.00 O ATOM 0 H GLY A 696 49.574 0.958 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 696 47.922 -0.569 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.482 -0.270 -6.035 1.00 0.00 H new ATOM 224 N SER A 697 45.265 0.474 -7.054 1.00 0.00 N ATOM 225 CA SER A 697 44.009 0.877 -7.684 1.00 0.00 C ATOM 226 C SER A 697 42.822 0.434 -6.830 1.00 0.00 C ATOM 227 O SER A 697 42.557 1.019 -5.776 1.00 0.00 O ATOM 228 CB SER A 697 43.893 0.259 -9.083 1.00 0.00 C ATOM 229 OG SER A 697 44.614 1.053 -10.015 1.00 0.00 O ATOM 0 H SER A 697 45.160 -0.206 -6.301 1.00 0.00 H new ATOM 0 HA SER A 697 44.001 1.963 -7.771 1.00 0.00 H new ATOM 0 HB2 SER A 697 44.285 -0.758 -9.076 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.846 0.195 -9.378 1.00 0.00 H new ATOM 0 HG SER A 697 45.311 1.557 -9.545 1.00 0.00 H new ATOM 235 N ASN A 698 42.252 -0.719 -7.176 1.00 0.00 N ATOM 236 CA ASN A 698 41.014 -1.171 -6.551 1.00 0.00 C ATOM 237 C ASN A 698 41.283 -2.358 -5.630 1.00 0.00 C ATOM 238 O ASN A 698 42.385 -2.503 -5.096 1.00 0.00 O ATOM 239 CB ASN A 698 40.000 -1.569 -7.630 1.00 0.00 C ATOM 240 CG ASN A 698 38.604 -1.100 -7.232 1.00 0.00 C ATOM 241 OD1 ASN A 698 37.742 -1.918 -6.909 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.357 0.179 -7.149 1.00 0.00 N ATOM 0 H ASN A 698 42.626 -1.353 -7.882 1.00 0.00 H new ATOM 0 HA ASN A 698 40.605 -0.354 -5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.282 -1.128 -8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 698 40.005 -2.651 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.449 0.502 -6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.072 0.855 -7.417 1.00 0.00 H new ATOM 249 N LYS A 699 40.241 -3.146 -5.371 1.00 0.00 N ATOM 250 CA LYS A 699 40.383 -4.348 -4.557 1.00 0.00 C ATOM 251 C LYS A 699 41.426 -5.286 -5.155 1.00 0.00 C ATOM 252 O LYS A 699 42.359 -5.699 -4.470 1.00 0.00 O ATOM 253 CB LYS A 699 39.041 -5.074 -4.464 1.00 0.00 C ATOM 254 CG LYS A 699 38.139 -4.349 -3.464 1.00 0.00 C ATOM 255 CD LYS A 699 36.793 -5.072 -3.371 1.00 0.00 C ATOM 256 CE LYS A 699 35.926 -4.405 -2.299 1.00 0.00 C ATOM 257 NZ LYS A 699 34.530 -4.275 -2.802 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.295 -2.974 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 699 40.709 -4.050 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.564 -5.106 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.195 -6.106 -4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.616 -4.318 -2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 699 37.988 -3.316 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 699 36.285 -5.042 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.949 -6.122 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 699 35.941 -4.997 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 699 36.328 -3.423 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 33.940 -3.822 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 34.524 -3.693 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 34.150 -5.218 -3.018 1.00 0.00 H new ATOM 271 N GLY A 700 41.351 -5.482 -6.469 1.00 0.00 N ATOM 272 CA GLY A 700 42.236 -6.425 -7.146 1.00 0.00 C ATOM 273 C GLY A 700 43.683 -5.944 -7.101 1.00 0.00 C ATOM 274 O GLY A 700 44.614 -6.752 -7.135 1.00 0.00 O ATOM 0 H GLY A 700 40.691 -5.004 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.160 -7.404 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.921 -6.545 -8.182 1.00 0.00 H new ATOM 278 N ALA A 701 43.859 -4.654 -6.824 1.00 0.00 N ATOM 279 CA ALA A 701 45.193 -4.078 -6.701 1.00 0.00 C ATOM 280 C ALA A 701 45.869 -4.543 -5.413 1.00 0.00 C ATOM 281 O ALA A 701 47.078 -4.381 -5.247 1.00 0.00 O ATOM 282 CB ALA A 701 45.104 -2.551 -6.707 1.00 0.00 C ATOM 0 H ALA A 701 43.097 -3.991 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 701 45.789 -4.414 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.104 -2.128 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.653 -2.216 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.491 -2.219 -5.869 1.00 0.00 H new ATOM 288 N ILE A 702 45.072 -5.066 -4.483 1.00 0.00 N ATOM 289 CA ILE A 702 45.616 -5.613 -3.242 1.00 0.00 C ATOM 290 C ILE A 702 46.661 -6.683 -3.540 1.00 0.00 C ATOM 291 O ILE A 702 47.720 -6.715 -2.914 1.00 0.00 O ATOM 292 CB ILE A 702 44.488 -6.217 -2.396 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.004 -6.483 -0.977 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.014 -7.533 -3.025 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.843 -6.918 -0.078 1.00 0.00 C ATOM 0 H ILE A 702 44.057 -5.122 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 702 46.091 -4.803 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 702 43.652 -5.518 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.770 -7.258 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.471 -5.584 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.213 -7.958 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.646 -7.343 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.846 -8.235 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.214 -7.106 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.092 -6.129 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.396 -7.829 -0.476 1.00 0.00 H new ATOM 307 N ILE A 703 46.413 -7.466 -4.586 1.00 0.00 N ATOM 308 CA ILE A 703 47.321 -8.544 -4.959 1.00 0.00 C ATOM 309 C ILE A 703 48.630 -7.972 -5.495 1.00 0.00 C ATOM 310 O ILE A 703 49.711 -8.384 -5.075 1.00 0.00 O ATOM 311 CB ILE A 703 46.669 -9.429 -6.028 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.244 -9.797 -5.594 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.496 -10.706 -6.212 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.644 -10.797 -6.588 1.00 0.00 C ATOM 0 H ILE A 703 45.594 -7.374 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 703 47.533 -9.144 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 703 46.629 -8.885 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.258 -10.228 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.625 -8.901 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.031 -11.334 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.506 -10.443 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.540 -11.250 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.632 -11.056 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.615 -10.350 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.258 -11.697 -6.614 1.00 0.00 H new ATOM 326 N GLY A 704 48.519 -6.900 -6.275 1.00 0.00 N ATOM 327 CA GLY A 704 49.697 -6.195 -6.763 1.00 0.00 C ATOM 328 C GLY A 704 50.455 -5.540 -5.611 1.00 0.00 C ATOM 329 O GLY A 704 51.657 -5.751 -5.447 1.00 0.00 O ATOM 0 H GLY A 704 47.630 -6.504 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.352 -6.892 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.398 -5.436 -7.486 1.00 0.00 H new ATOM 333 N LEU A 705 49.755 -4.690 -4.858 1.00 0.00 N ATOM 334 CA LEU A 705 50.362 -3.992 -3.725 1.00 0.00 C ATOM 335 C LEU A 705 50.959 -4.985 -2.733 1.00 0.00 C ATOM 336 O LEU A 705 52.019 -4.735 -2.160 1.00 0.00 O ATOM 337 CB LEU A 705 49.312 -3.132 -3.009 1.00 0.00 C ATOM 338 CG LEU A 705 48.879 -1.966 -3.905 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.692 -1.244 -3.257 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.041 -0.983 -4.078 1.00 0.00 C ATOM 0 H LEU A 705 48.771 -4.469 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 705 51.158 -3.354 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.446 -3.742 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.722 -2.749 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 705 48.587 -2.351 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.381 -0.414 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.862 -1.941 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 705 47.988 -0.863 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.727 -0.157 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.339 -0.596 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.886 -1.496 -4.538 1.00 0.00 H new ATOM 352 N MET A 706 50.293 -6.123 -2.562 1.00 0.00 N ATOM 353 CA MET A 706 50.749 -7.132 -1.611 1.00 0.00 C ATOM 354 C MET A 706 52.110 -7.678 -2.027 1.00 0.00 C ATOM 355 O MET A 706 53.100 -7.494 -1.317 1.00 0.00 O ATOM 356 CB MET A 706 49.735 -8.279 -1.536 1.00 0.00 C ATOM 357 CG MET A 706 50.290 -9.393 -0.644 1.00 0.00 C ATOM 358 SD MET A 706 48.931 -10.443 -0.067 1.00 0.00 S ATOM 359 CE MET A 706 49.050 -11.712 -1.353 1.00 0.00 C ATOM 0 H MET A 706 49.441 -6.369 -3.066 1.00 0.00 H new ATOM 0 HA MET A 706 50.840 -6.667 -0.630 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.788 -7.916 -1.136 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.532 -8.665 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.014 -9.990 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.817 -8.962 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.288 -12.473 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.897 -11.255 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.037 -12.174 -1.318 1.00 0.00 H new ATOM 369 N VAL A 707 52.188 -8.163 -3.264 1.00 0.00 N ATOM 370 CA VAL A 707 53.416 -8.780 -3.759 1.00 0.00 C ATOM 371 C VAL A 707 54.486 -7.718 -3.994 1.00 0.00 C ATOM 372 O VAL A 707 55.612 -7.847 -3.513 1.00 0.00 O ATOM 373 CB VAL A 707 53.139 -9.531 -5.067 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.426 -10.205 -5.555 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.061 -10.597 -4.835 1.00 0.00 C ATOM 0 H VAL A 707 51.422 -8.141 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 707 53.775 -9.485 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 707 52.791 -8.823 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.227 -10.738 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.191 -9.448 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.777 -10.909 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.868 -11.128 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.405 -11.304 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.143 -10.118 -4.493 1.00 0.00 H new ATOM 385 N GLY A 708 54.077 -6.602 -4.594 1.00 0.00 N ATOM 386 CA GLY A 708 54.999 -5.502 -4.858 1.00 0.00 C ATOM 387 C GLY A 708 55.364 -4.769 -3.568 1.00 0.00 C ATOM 388 O GLY A 708 56.253 -3.916 -3.562 1.00 0.00 O ATOM 0 H GLY A 708 53.119 -6.437 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.903 -5.887 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.545 -4.804 -5.561 1.00 0.00 H new ATOM 392 N GLY A 709 54.729 -5.164 -2.466 1.00 0.00 N ATOM 393 CA GLY A 709 54.990 -4.536 -1.174 1.00 0.00 C ATOM 394 C GLY A 709 56.208 -5.158 -0.497 1.00 0.00 C ATOM 395 O GLY A 709 56.436 -4.952 0.695 1.00 0.00 O ATOM 0 H GLY A 709 54.035 -5.911 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.153 -3.467 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.117 -4.645 -0.530 1.00 0.00 H new ATOM 399 N VAL A 710 57.009 -5.885 -1.274 1.00 0.00 N ATOM 400 CA VAL A 710 58.237 -6.481 -0.753 1.00 0.00 C ATOM 401 C VAL A 710 59.278 -5.402 -0.468 1.00 0.00 C ATOM 402 O VAL A 710 59.972 -5.450 0.547 1.00 0.00 O ATOM 403 CB VAL A 710 58.796 -7.490 -1.765 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.204 -7.926 -1.341 1.00 0.00 C ATOM 405 CG2 VAL A 710 57.879 -8.718 -1.825 1.00 0.00 C ATOM 0 H VAL A 710 56.831 -6.075 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 710 58.005 -6.995 0.180 1.00 0.00 H new ATOM 0 HB VAL A 710 58.844 -7.022 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.596 -8.642 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.858 -7.055 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.160 -8.391 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.277 -9.434 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.828 -9.183 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 710 56.880 -8.411 -2.133 1.00 0.00 H new ATOM 415 N VAL A 711 59.469 -4.506 -1.431 1.00 0.00 N ATOM 416 CA VAL A 711 60.432 -3.421 -1.276 1.00 0.00 C ATOM 417 C VAL A 711 60.006 -2.481 -0.150 1.00 0.00 C ATOM 418 O VAL A 711 60.776 -2.233 0.777 1.00 0.00 O ATOM 419 CB VAL A 711 60.563 -2.629 -2.586 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.681 -3.239 -3.437 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.242 -2.681 -3.362 1.00 0.00 C ATOM 0 H VAL A 711 58.973 -4.509 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 711 61.398 -3.859 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 711 60.801 -1.590 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.777 -2.679 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.622 -3.194 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.441 -4.278 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.342 -2.117 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 711 58.996 -3.718 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.447 -2.245 -2.757 1.00 0.00 H new ATOM 431 N ILE A 712 58.722 -2.140 -0.127 1.00 0.00 N ATOM 432 CA ILE A 712 58.207 -1.209 0.873 1.00 0.00 C ATOM 433 C ILE A 712 58.171 -1.872 2.248 1.00 0.00 C ATOM 434 O ILE A 712 58.388 -1.212 3.265 1.00 0.00 O ATOM 435 CB ILE A 712 56.796 -0.744 0.489 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.749 -0.395 -1.006 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.421 0.490 1.316 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.862 0.602 -1.347 1.00 0.00 C ATOM 0 H ILE A 712 58.023 -2.490 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 712 58.870 -0.345 0.912 1.00 0.00 H new ATOM 0 HB ILE A 712 56.087 -1.547 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.865 -1.300 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.778 0.031 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.419 0.820 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.444 0.238 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.133 1.291 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.821 0.844 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 712 57.727 1.512 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.831 0.160 -1.113 1.00 0.00 H new ATOM 450 N ALA A 713 58.081 -3.201 2.253 1.00 0.00 N ATOM 451 CA ALA A 713 58.119 -3.958 3.501 1.00 0.00 C ATOM 452 C ALA A 713 59.433 -3.714 4.237 1.00 0.00 C ATOM 453 O ALA A 713 59.435 -3.158 5.334 1.00 0.00 O ATOM 454 CB ALA A 713 57.963 -5.454 3.212 1.00 0.00 C ATOM 0 H ALA A 713 57.982 -3.771 1.413 1.00 0.00 H new ATOM 0 HA ALA A 713 57.295 -3.623 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.993 -6.011 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.009 -5.631 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.776 -5.787 2.567 1.00 0.00 H new ATOM 460 N THR A 714 60.542 -3.920 3.531 1.00 0.00 N ATOM 461 CA THR A 714 61.863 -3.812 4.146 1.00 0.00 C ATOM 462 C THR A 714 62.098 -2.399 4.668 1.00 0.00 C ATOM 463 O THR A 714 62.607 -2.217 5.772 1.00 0.00 O ATOM 464 CB THR A 714 62.946 -4.165 3.123 1.00 0.00 C ATOM 465 OG1 THR A 714 62.849 -3.292 2.008 1.00 0.00 O ATOM 466 CG2 THR A 714 62.762 -5.612 2.656 1.00 0.00 C ATOM 0 H THR A 714 60.553 -4.161 2.540 1.00 0.00 H new ATOM 0 HA THR A 714 61.911 -4.509 4.983 1.00 0.00 H new ATOM 0 HB THR A 714 63.927 -4.056 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.941 -2.926 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.534 -5.860 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.840 -6.283 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.780 -5.724 2.196 1.00 0.00 H new ATOM 474 N VAL A 715 61.535 -1.422 3.962 1.00 0.00 N ATOM 475 CA VAL A 715 61.653 -0.026 4.371 1.00 0.00 C ATOM 476 C VAL A 715 60.909 0.212 5.682 1.00 0.00 C ATOM 477 O VAL A 715 61.502 0.666 6.662 1.00 0.00 O ATOM 478 CB VAL A 715 61.080 0.882 3.277 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.206 2.349 3.703 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.853 0.661 1.972 1.00 0.00 C ATOM 0 H VAL A 715 60.996 -1.570 3.109 1.00 0.00 H new ATOM 0 HA VAL A 715 62.707 0.207 4.522 1.00 0.00 H new ATOM 0 HB VAL A 715 60.028 0.640 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.798 2.991 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.654 2.508 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.257 2.593 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.446 1.307 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.905 0.900 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.759 -0.381 1.665 1.00 0.00 H new ATOM 490 N ILE A 716 59.686 -0.307 5.754 1.00 0.00 N ATOM 491 CA ILE A 716 58.865 -0.147 6.949 1.00 0.00 C ATOM 492 C ILE A 716 59.390 -1.029 8.080 1.00 0.00 C ATOM 493 O ILE A 716 59.357 -0.639 9.247 1.00 0.00 O ATOM 494 CB ILE A 716 57.412 -0.521 6.634 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.856 0.437 5.574 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.568 -0.420 7.911 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.607 -0.174 4.933 1.00 0.00 C ATOM 0 H ILE A 716 59.245 -0.839 5.004 1.00 0.00 H new ATOM 0 HA ILE A 716 58.911 0.895 7.267 1.00 0.00 H new ATOM 0 HB ILE A 716 57.374 -1.542 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.611 1.396 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.611 0.630 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.535 -0.686 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.963 -1.103 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.605 0.601 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.214 0.509 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.866 -1.123 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.851 -0.344 5.699 1.00 0.00 H new ATOM 509 N VAL A 717 59.955 -2.176 7.715 1.00 0.00 N ATOM 510 CA VAL A 717 60.460 -3.120 8.706 1.00 0.00 C ATOM 511 C VAL A 717 61.752 -2.598 9.326 1.00 0.00 C ATOM 512 O VAL A 717 61.883 -2.551 10.550 1.00 0.00 O ATOM 513 CB VAL A 717 60.712 -4.483 8.050 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.368 -5.429 9.063 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.383 -5.083 7.579 1.00 0.00 C ATOM 0 H VAL A 717 60.074 -2.473 6.746 1.00 0.00 H new ATOM 0 HA VAL A 717 59.713 -3.233 9.492 1.00 0.00 H new ATOM 0 HB VAL A 717 61.374 -4.352 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.546 -6.397 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.316 -5.006 9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.708 -5.557 9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.566 -6.051 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.718 -5.211 8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.918 -4.414 6.855 1.00 0.00 H new ATOM 525 N ILE A 718 62.613 -2.031 8.485 1.00 0.00 N ATOM 526 CA ILE A 718 63.882 -1.481 8.953 1.00 0.00 C ATOM 527 C ILE A 718 63.639 -0.321 9.917 1.00 0.00 C ATOM 528 O ILE A 718 64.208 -0.283 11.008 1.00 0.00 O ATOM 529 CB ILE A 718 64.715 -0.998 7.756 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.345 -2.206 7.050 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.824 -0.056 8.241 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.808 -1.799 5.648 1.00 0.00 C ATOM 0 H ILE A 718 62.456 -1.941 7.481 1.00 0.00 H new ATOM 0 HA ILE A 718 64.428 -2.264 9.479 1.00 0.00 H new ATOM 0 HB ILE A 718 64.067 -0.464 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.190 -2.578 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.622 -3.019 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.412 0.284 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.378 0.804 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.471 -0.586 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.255 -2.659 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.953 -1.448 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.546 -1.001 5.726 1.00 0.00 H new ATOM 544 N THR A 719 62.705 0.556 9.557 1.00 0.00 N ATOM 545 CA THR A 719 62.362 1.690 10.411 1.00 0.00 C ATOM 546 C THR A 719 61.761 1.208 11.728 1.00 0.00 C ATOM 547 O THR A 719 62.057 1.756 12.790 1.00 0.00 O ATOM 548 CB THR A 719 61.360 2.601 9.696 1.00 0.00 C ATOM 549 OG1 THR A 719 60.337 1.811 9.108 1.00 0.00 O ATOM 550 CG2 THR A 719 62.077 3.399 8.604 1.00 0.00 C ATOM 0 H THR A 719 62.176 0.504 8.687 1.00 0.00 H new ATOM 0 HA THR A 719 63.274 2.248 10.622 1.00 0.00 H new ATOM 0 HB THR A 719 60.920 3.289 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.376 0.902 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.361 4.046 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.861 4.008 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.519 2.712 7.882 1.00 0.00 H new ATOM 558 N LEU A 720 61.057 0.079 11.668 1.00 0.00 N ATOM 559 CA LEU A 720 60.428 -0.489 12.856 1.00 0.00 C ATOM 560 C LEU A 720 61.483 -0.931 13.865 1.00 0.00 C ATOM 561 O LEU A 720 61.299 -0.773 15.071 1.00 0.00 O ATOM 562 CB LEU A 720 59.560 -1.692 12.460 1.00 0.00 C ATOM 563 CG LEU A 720 58.085 -1.410 12.785 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.916 -1.197 14.295 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.615 -0.160 12.031 1.00 0.00 C ATOM 0 H LEU A 720 60.909 -0.457 10.813 1.00 0.00 H new ATOM 0 HA LEU A 720 59.804 0.277 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.673 -1.897 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.894 -2.582 12.993 1.00 0.00 H new ATOM 0 HG LEU A 720 57.483 -2.264 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.868 -0.997 14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 720 58.237 -2.093 14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 720 58.523 -0.349 14.613 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.568 0.034 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.220 0.695 12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.722 -0.320 10.958 1.00 0.00 H new ATOM 577 N VAL A 721 62.639 -1.360 13.358 1.00 0.00 N ATOM 578 CA VAL A 721 63.726 -1.806 14.224 1.00 0.00 C ATOM 579 C VAL A 721 64.165 -0.682 15.154 1.00 0.00 C ATOM 580 O VAL A 721 64.364 -0.893 16.351 1.00 0.00 O ATOM 581 CB VAL A 721 64.921 -2.260 13.375 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.045 -2.751 14.292 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.488 -3.397 12.446 1.00 0.00 C ATOM 0 H VAL A 721 62.844 -1.407 12.360 1.00 0.00 H new ATOM 0 HA VAL A 721 63.366 -2.642 14.824 1.00 0.00 H new ATOM 0 HB VAL A 721 65.279 -1.421 12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.893 -3.073 13.688 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.356 -1.941 14.952 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.687 -3.589 14.890 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.338 -3.718 11.844 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.127 -4.236 13.041 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.690 -3.048 11.791 1.00 0.00 H new ATOM 593 N MET A 722 64.347 0.508 14.589 1.00 0.00 N ATOM 594 CA MET A 722 64.709 1.672 15.386 1.00 0.00 C ATOM 595 C MET A 722 63.550 2.073 16.297 1.00 0.00 C ATOM 596 O MET A 722 63.749 2.308 17.490 1.00 0.00 O ATOM 597 CB MET A 722 65.073 2.841 14.466 1.00 0.00 C ATOM 598 CG MET A 722 65.348 4.088 15.310 1.00 0.00 C ATOM 599 SD MET A 722 66.583 5.119 14.482 1.00 0.00 S ATOM 600 CE MET A 722 66.362 6.599 15.503 1.00 0.00 C ATOM 0 H MET A 722 64.250 0.690 13.590 1.00 0.00 H new ATOM 0 HA MET A 722 65.571 1.418 16.004 1.00 0.00 H new ATOM 0 HB2 MET A 722 65.952 2.590 13.872 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.260 3.034 13.767 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.427 4.652 15.455 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.704 3.799 16.299 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.040 7.381 15.162 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.333 6.949 15.419 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.580 6.359 16.544 1.00 0.00 H new ATOM 610 N LEU A 723 62.330 1.930 15.781 1.00 0.00 N ATOM 611 CA LEU A 723 61.137 2.346 16.514 1.00 0.00 C ATOM 612 C LEU A 723 60.690 1.254 17.488 1.00 0.00 C ATOM 613 O LEU A 723 59.764 1.463 18.274 1.00 0.00 O ATOM 614 CB LEU A 723 59.995 2.656 15.535 1.00 0.00 C ATOM 615 CG LEU A 723 60.396 3.810 14.604 1.00 0.00 C ATOM 616 CD1 LEU A 723 59.321 3.990 13.529 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.533 5.109 15.407 1.00 0.00 C ATOM 0 H LEU A 723 62.143 1.531 14.861 1.00 0.00 H new ATOM 0 HA LEU A 723 61.384 3.244 17.081 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.759 1.769 14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.094 2.921 16.088 1.00 0.00 H new ATOM 0 HG LEU A 723 61.352 3.576 14.136 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.602 4.808 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.227 3.071 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.367 4.219 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.818 5.922 14.739 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.581 5.346 15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.298 4.984 16.173 1.00 0.00 H new ATOM 629 N LYS A 724 61.473 0.178 17.564 1.00 0.00 N ATOM 630 CA LYS A 724 61.125 -0.960 18.414 1.00 0.00 C ATOM 631 C LYS A 724 62.379 -1.548 19.055 1.00 0.00 C ATOM 632 O LYS A 724 63.190 -2.186 18.381 1.00 0.00 O ATOM 633 CB LYS A 724 60.416 -2.036 17.581 1.00 0.00 C ATOM 634 CG LYS A 724 59.921 -3.161 18.498 1.00 0.00 C ATOM 635 CD LYS A 724 59.154 -4.201 17.673 1.00 0.00 C ATOM 636 CE LYS A 724 58.515 -5.233 18.608 1.00 0.00 C ATOM 637 NZ LYS A 724 57.058 -4.949 18.744 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.348 0.071 17.050 1.00 0.00 H new ATOM 0 HA LYS A 724 60.456 -0.615 19.202 1.00 0.00 H new ATOM 0 HB2 LYS A 724 59.576 -1.597 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 724 61.099 -2.438 16.833 1.00 0.00 H new ATOM 0 HG2 LYS A 724 60.766 -3.632 19.000 1.00 0.00 H new ATOM 0 HG3 LYS A 724 59.276 -2.752 19.276 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.385 -3.711 17.077 1.00 0.00 H new ATOM 0 HD3 LYS A 724 59.830 -4.697 16.976 1.00 0.00 H new ATOM 0 HE2 LYS A 724 58.665 -6.238 18.214 1.00 0.00 H new ATOM 0 HE3 LYS A 724 58.995 -5.199 19.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 56.625 -5.650 19.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 56.925 -3.996 19.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 56.605 -5.002 17.809 1.00 0.00 H new ATOM 651 N LYS A 725 62.487 -1.403 20.373 1.00 0.00 N ATOM 652 CA LYS A 725 63.618 -1.963 21.108 1.00 0.00 C ATOM 653 C LYS A 725 63.317 -1.996 22.604 1.00 0.00 C ATOM 654 O LYS A 725 62.601 -1.135 23.118 1.00 0.00 O ATOM 655 CB LYS A 725 64.876 -1.125 20.853 1.00 0.00 C ATOM 656 CG LYS A 725 64.632 0.322 21.292 1.00 0.00 C ATOM 657 CD LYS A 725 65.709 1.230 20.689 1.00 0.00 C ATOM 658 CE LYS A 725 65.462 2.676 21.127 1.00 0.00 C ATOM 659 NZ LYS A 725 66.749 3.425 21.118 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.810 -0.906 20.951 1.00 0.00 H new ATOM 0 HA LYS A 725 63.787 -2.982 20.760 1.00 0.00 H new ATOM 0 HB2 LYS A 725 65.720 -1.544 21.401 1.00 0.00 H new ATOM 0 HB3 LYS A 725 65.136 -1.155 19.795 1.00 0.00 H new ATOM 0 HG2 LYS A 725 63.644 0.649 20.969 1.00 0.00 H new ATOM 0 HG3 LYS A 725 64.651 0.391 22.380 1.00 0.00 H new ATOM 0 HD2 LYS A 725 66.697 0.904 21.013 1.00 0.00 H new ATOM 0 HD3 LYS A 725 65.691 1.160 19.601 1.00 0.00 H new ATOM 0 HE2 LYS A 725 64.747 3.153 20.457 1.00 0.00 H new ATOM 0 HE3 LYS A 725 65.025 2.695 22.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 66.581 4.407 21.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 67.418 2.974 21.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 67.148 3.418 20.158 1.00 0.00 H new ATOM 673 N LYS A 726 63.735 -3.075 23.261 1.00 0.00 N ATOM 674 CA LYS A 726 63.544 -3.203 24.702 1.00 0.00 C ATOM 675 C LYS A 726 64.575 -2.363 25.453 1.00 0.00 C ATOM 676 O LYS A 726 65.659 -2.845 25.784 1.00 0.00 O ATOM 677 CB LYS A 726 63.658 -4.671 25.129 1.00 0.00 C ATOM 678 CG LYS A 726 64.744 -5.375 24.307 1.00 0.00 C ATOM 679 CD LYS A 726 65.245 -6.606 25.070 1.00 0.00 C ATOM 680 CE LYS A 726 66.430 -6.213 25.956 1.00 0.00 C ATOM 681 NZ LYS A 726 66.845 -7.386 26.776 1.00 0.00 N1+ ATOM 0 H LYS A 726 64.204 -3.867 22.822 1.00 0.00 H new ATOM 0 HA LYS A 726 62.546 -2.840 24.948 1.00 0.00 H new ATOM 0 HB2 LYS A 726 63.898 -4.732 26.191 1.00 0.00 H new ATOM 0 HB3 LYS A 726 62.701 -5.174 24.989 1.00 0.00 H new ATOM 0 HG2 LYS A 726 64.345 -5.672 23.337 1.00 0.00 H new ATOM 0 HG3 LYS A 726 65.571 -4.691 24.116 1.00 0.00 H new ATOM 0 HD2 LYS A 726 64.442 -7.019 25.681 1.00 0.00 H new ATOM 0 HD3 LYS A 726 65.545 -7.384 24.368 1.00 0.00 H new ATOM 0 HE2 LYS A 726 67.262 -5.873 25.340 1.00 0.00 H new ATOM 0 HE3 LYS A 726 66.154 -5.382 26.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 67.650 -7.121 27.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 66.050 -7.690 27.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 67.125 -8.167 26.148 1.00 0.00 H new ATOM 695 N GLN A 727 64.304 -1.065 25.544 1.00 0.00 N ATOM 696 CA GLN A 727 65.188 -0.150 26.256 1.00 0.00 C ATOM 697 C GLN A 727 64.793 -0.062 27.728 1.00 0.00 C ATOM 698 O GLN A 727 63.633 0.197 28.051 1.00 0.00 O ATOM 699 CB GLN A 727 65.116 1.242 25.619 1.00 0.00 C ATOM 700 CG GLN A 727 66.391 2.025 25.943 1.00 0.00 C ATOM 701 CD GLN A 727 66.166 3.516 25.701 1.00 0.00 C ATOM 702 OE1 GLN A 727 66.611 4.348 26.492 1.00 0.00 O ATOM 703 NE2 GLN A 727 65.495 3.906 24.651 1.00 0.00 N ATOM 0 H GLN A 727 63.481 -0.624 25.134 1.00 0.00 H new ATOM 0 HA GLN A 727 66.208 -0.528 26.189 1.00 0.00 H new ATOM 0 HB2 GLN A 727 64.997 1.153 24.539 1.00 0.00 H new ATOM 0 HB3 GLN A 727 64.244 1.778 25.992 1.00 0.00 H new ATOM 0 HG2 GLN A 727 66.677 1.856 26.981 1.00 0.00 H new ATOM 0 HG3 GLN A 727 67.214 1.668 25.324 1.00 0.00 H new ATOM 0 HE21 GLN A 727 65.127 3.216 23.996 1.00 0.00 H new ATOM 0 HE22 GLN A 727 65.339 4.900 24.486 1.00 0.00 H new ATOM 712 N TYR A 728 65.738 -0.380 28.611 1.00 0.00 N ATOM 713 CA TYR A 728 65.430 -0.514 30.032 1.00 0.00 C ATOM 714 C TYR A 728 65.130 0.854 30.647 1.00 0.00 C ATOM 715 O TYR A 728 63.984 1.162 30.969 1.00 0.00 O ATOM 716 CB TYR A 728 66.607 -1.171 30.766 1.00 0.00 C ATOM 717 CG TYR A 728 67.683 -0.144 31.040 1.00 0.00 C ATOM 718 CD1 TYR A 728 68.569 0.234 30.022 1.00 0.00 C ATOM 719 CD2 TYR A 728 67.784 0.443 32.308 1.00 0.00 C ATOM 720 CE1 TYR A 728 69.516 1.237 30.256 1.00 0.00 C ATOM 721 CE2 TYR A 728 68.746 1.431 32.547 1.00 0.00 C ATOM 722 CZ TYR A 728 69.600 1.841 31.516 1.00 0.00 C ATOM 723 OH TYR A 728 70.570 2.792 31.762 1.00 0.00 O ATOM 0 H TYR A 728 66.715 -0.548 28.370 1.00 0.00 H new ATOM 0 HA TYR A 728 64.547 -1.144 30.137 1.00 0.00 H new ATOM 0 HB2 TYR A 728 66.263 -1.609 31.703 1.00 0.00 H new ATOM 0 HB3 TYR A 728 67.013 -1.984 30.164 1.00 0.00 H new ATOM 0 HD1 TYR A 728 68.521 -0.249 29.057 1.00 0.00 H new ATOM 0 HD2 TYR A 728 67.120 0.133 33.101 1.00 0.00 H new ATOM 0 HE1 TYR A 728 70.183 1.545 29.464 1.00 0.00 H new ATOM 0 HE2 TYR A 728 68.830 1.877 33.527 1.00 0.00 H new ATOM 0 HH TYR A 728 70.489 3.111 32.685 1.00 0.00 H new TER 733 TYR A 728