USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=5 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= -0.12 X(o=-0.12,f=0) USER MOD Single : A 685 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3.7!) USER MOD Single : A 686 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 153:sc= -0.0286 (180deg=-0.309) USER MOD Single : A 697 SER OG : rot 180:sc= 0 USER MOD Single : A 698 ASN : amide:sc= 0 X(o=0,f=-0.43) 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 33:sc= 0.597 USER MOD Single : A 719 THR OG1 : rot 77:sc= 0.585 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= -1.41 K(o=-1.4,f=-0.88) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 56.868 0.222 -30.810 1.00 0.00 N ATOM 2 CA VAL A 683 56.323 0.948 -29.669 1.00 0.00 C ATOM 3 C VAL A 683 56.301 0.052 -28.428 1.00 0.00 C ATOM 4 O VAL A 683 55.305 -0.003 -27.704 1.00 0.00 O ATOM 5 CB VAL A 683 54.907 1.437 -29.983 1.00 0.00 C ATOM 6 CG1 VAL A 683 53.977 0.235 -30.162 1.00 0.00 C ATOM 7 CG2 VAL A 683 54.400 2.309 -28.832 1.00 0.00 C ATOM 0 HA VAL A 683 56.961 1.809 -29.469 1.00 0.00 H new ATOM 0 HB VAL A 683 54.922 2.023 -30.902 1.00 0.00 H new ATOM 0 HG11 VAL A 683 52.969 0.585 -30.385 1.00 0.00 H new ATOM 0 HG12 VAL A 683 54.337 -0.384 -30.984 1.00 0.00 H new ATOM 0 HG13 VAL A 683 53.962 -0.353 -29.244 1.00 0.00 H new ATOM 0 HG21 VAL A 683 53.392 2.657 -29.056 1.00 0.00 H new ATOM 0 HG22 VAL A 683 54.386 1.725 -27.912 1.00 0.00 H new ATOM 0 HG23 VAL A 683 55.061 3.167 -28.707 1.00 0.00 H new ATOM 16 N HIS A 684 57.460 -0.514 -28.103 1.00 0.00 N ATOM 17 CA HIS A 684 57.585 -1.374 -26.927 1.00 0.00 C ATOM 18 C HIS A 684 58.206 -0.605 -25.764 1.00 0.00 C ATOM 19 O HIS A 684 59.115 0.203 -25.961 1.00 0.00 O ATOM 20 CB HIS A 684 58.452 -2.590 -27.259 1.00 0.00 C ATOM 21 CG HIS A 684 57.654 -3.573 -28.073 1.00 0.00 C ATOM 22 ND1 HIS A 684 57.961 -4.923 -28.108 1.00 0.00 N ATOM 23 CD2 HIS A 684 56.564 -3.414 -28.893 1.00 0.00 C ATOM 24 CE1 HIS A 684 57.075 -5.520 -28.924 1.00 0.00 C ATOM 25 NE2 HIS A 684 56.201 -4.648 -29.430 1.00 0.00 N ATOM 0 H HIS A 684 58.323 -0.394 -28.634 1.00 0.00 H new ATOM 0 HA HIS A 684 56.589 -1.707 -26.636 1.00 0.00 H new ATOM 0 HB2 HIS A 684 59.337 -2.278 -27.813 1.00 0.00 H new ATOM 0 HB3 HIS A 684 58.801 -3.062 -26.341 1.00 0.00 H new ATOM 0 HD2 HIS A 684 56.065 -2.477 -29.091 1.00 0.00 H new ATOM 0 HE1 HIS A 684 57.071 -6.577 -29.143 1.00 0.00 H new ATOM 0 HE2 HIS A 684 55.432 -4.843 -30.072 1.00 0.00 H new ATOM 33 N HIS A 685 57.629 -0.777 -24.576 1.00 0.00 N ATOM 34 CA HIS A 685 58.091 -0.052 -23.394 1.00 0.00 C ATOM 35 C HIS A 685 57.925 -0.917 -22.140 1.00 0.00 C ATOM 36 O HIS A 685 58.509 -1.996 -22.052 1.00 0.00 O ATOM 37 CB HIS A 685 57.306 1.253 -23.234 1.00 0.00 C ATOM 38 CG HIS A 685 55.832 0.953 -23.230 1.00 0.00 C ATOM 39 ND1 HIS A 685 55.201 0.330 -24.295 1.00 0.00 N ATOM 40 CD2 HIS A 685 54.850 1.186 -22.297 1.00 0.00 C ATOM 41 CE1 HIS A 685 53.900 0.209 -23.984 1.00 0.00 C ATOM 42 NE2 HIS A 685 53.629 0.714 -22.778 1.00 0.00 N ATOM 0 H HIS A 685 56.846 -1.408 -24.407 1.00 0.00 H new ATOM 0 HA HIS A 685 59.148 0.183 -23.523 1.00 0.00 H new ATOM 0 HB2 HIS A 685 57.590 1.749 -22.306 1.00 0.00 H new ATOM 0 HB3 HIS A 685 57.547 1.937 -24.048 1.00 0.00 H new ATOM 0 HD2 HIS A 685 55.001 1.661 -21.339 1.00 0.00 H new ATOM 0 HE1 HIS A 685 53.162 -0.242 -24.631 1.00 0.00 H new ATOM 0 HE2 HIS A 685 52.724 0.747 -22.309 1.00 0.00 H new ATOM 50 N GLN A 686 57.230 -0.386 -21.130 1.00 0.00 N ATOM 51 CA GLN A 686 56.942 -1.149 -19.915 1.00 0.00 C ATOM 52 C GLN A 686 58.211 -1.333 -19.083 1.00 0.00 C ATOM 53 O GLN A 686 58.554 -2.448 -18.685 1.00 0.00 O ATOM 54 CB GLN A 686 56.361 -2.518 -20.280 1.00 0.00 C ATOM 55 CG GLN A 686 55.541 -3.056 -19.105 1.00 0.00 C ATOM 56 CD GLN A 686 55.356 -4.562 -19.246 1.00 0.00 C ATOM 57 OE1 GLN A 686 55.226 -5.269 -18.247 1.00 0.00 O ATOM 58 NE2 GLN A 686 55.336 -5.100 -20.435 1.00 0.00 N ATOM 0 H GLN A 686 56.859 0.564 -21.130 1.00 0.00 H new ATOM 0 HA GLN A 686 56.213 -0.594 -19.325 1.00 0.00 H new ATOM 0 HB2 GLN A 686 55.733 -2.433 -21.167 1.00 0.00 H new ATOM 0 HB3 GLN A 686 57.165 -3.212 -20.524 1.00 0.00 H new ATOM 0 HG2 GLN A 686 56.045 -2.829 -18.165 1.00 0.00 H new ATOM 0 HG3 GLN A 686 54.569 -2.563 -19.073 1.00 0.00 H new ATOM 0 HE21 GLN A 686 55.444 -4.513 -21.262 1.00 0.00 H new ATOM 0 HE22 GLN A 686 55.213 -6.107 -20.537 1.00 0.00 H new ATOM 67 N LYS A 687 58.920 -0.228 -18.850 1.00 0.00 N ATOM 68 CA LYS A 687 60.211 -0.277 -18.165 1.00 0.00 C ATOM 69 C LYS A 687 60.314 0.851 -17.139 1.00 0.00 C ATOM 70 O LYS A 687 61.409 1.338 -16.850 1.00 0.00 O ATOM 71 CB LYS A 687 61.348 -0.153 -19.181 1.00 0.00 C ATOM 72 CG LYS A 687 61.223 -1.260 -20.228 1.00 0.00 C ATOM 73 CD LYS A 687 62.505 -1.324 -21.061 1.00 0.00 C ATOM 74 CE LYS A 687 63.290 -2.587 -20.699 1.00 0.00 C ATOM 75 NZ LYS A 687 62.549 -3.787 -21.181 1.00 0.00 N1+ ATOM 0 H LYS A 687 58.623 0.708 -19.125 1.00 0.00 H new ATOM 0 HA LYS A 687 60.292 -1.233 -17.648 1.00 0.00 H new ATOM 0 HB2 LYS A 687 61.313 0.824 -19.664 1.00 0.00 H new ATOM 0 HB3 LYS A 687 62.311 -0.224 -18.675 1.00 0.00 H new ATOM 0 HG2 LYS A 687 61.046 -2.218 -19.740 1.00 0.00 H new ATOM 0 HG3 LYS A 687 60.366 -1.069 -20.874 1.00 0.00 H new ATOM 0 HD2 LYS A 687 62.261 -1.327 -22.123 1.00 0.00 H new ATOM 0 HD3 LYS A 687 63.115 -0.439 -20.877 1.00 0.00 H new ATOM 0 HE2 LYS A 687 64.282 -2.553 -21.150 1.00 0.00 H new ATOM 0 HE3 LYS A 687 63.432 -2.643 -19.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 63.221 -4.560 -21.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 61.865 -4.086 -20.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 62.044 -3.553 -22.060 1.00 0.00 H new ATOM 89 N LEU A 688 59.200 1.124 -16.460 1.00 0.00 N ATOM 90 CA LEU A 688 59.144 2.222 -15.498 1.00 0.00 C ATOM 91 C LEU A 688 57.877 2.134 -14.650 1.00 0.00 C ATOM 92 O LEU A 688 57.893 2.466 -13.464 1.00 0.00 O ATOM 93 CB LEU A 688 59.178 3.563 -16.234 1.00 0.00 C ATOM 94 CG LEU A 688 58.112 3.572 -17.332 1.00 0.00 C ATOM 95 CD1 LEU A 688 57.114 4.701 -17.068 1.00 0.00 C ATOM 96 CD2 LEU A 688 58.781 3.789 -18.691 1.00 0.00 C ATOM 0 H LEU A 688 58.329 0.602 -16.558 1.00 0.00 H new ATOM 0 HA LEU A 688 60.010 2.146 -14.840 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.000 4.379 -15.533 1.00 0.00 H new ATOM 0 HB3 LEU A 688 60.164 3.726 -16.669 1.00 0.00 H new ATOM 0 HG LEU A 688 57.586 2.617 -17.334 1.00 0.00 H new ATOM 0 HD11 LEU A 688 56.355 4.706 -17.851 1.00 0.00 H new ATOM 0 HD12 LEU A 688 56.636 4.546 -16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 688 57.638 5.657 -17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 688 58.022 3.795 -19.473 1.00 0.00 H new ATOM 0 HD22 LEU A 688 59.308 4.743 -18.689 1.00 0.00 H new ATOM 0 HD23 LEU A 688 59.490 2.983 -18.880 1.00 0.00 H new ATOM 108 N VAL A 689 56.837 1.522 -15.215 1.00 0.00 N ATOM 109 CA VAL A 689 55.564 1.381 -14.507 1.00 0.00 C ATOM 110 C VAL A 689 55.633 0.238 -13.493 1.00 0.00 C ATOM 111 O VAL A 689 54.656 -0.037 -12.799 1.00 0.00 O ATOM 112 CB VAL A 689 54.432 1.119 -15.504 1.00 0.00 C ATOM 113 CG1 VAL A 689 53.785 2.445 -15.904 1.00 0.00 C ATOM 114 CG2 VAL A 689 54.996 0.431 -16.749 1.00 0.00 C ATOM 0 H VAL A 689 56.849 1.119 -16.152 1.00 0.00 H new ATOM 0 HA VAL A 689 55.365 2.310 -13.973 1.00 0.00 H new ATOM 0 HB VAL A 689 53.684 0.476 -15.041 1.00 0.00 H new ATOM 0 HG11 VAL A 689 52.979 2.257 -16.614 1.00 0.00 H new ATOM 0 HG12 VAL A 689 53.381 2.935 -15.018 1.00 0.00 H new ATOM 0 HG13 VAL A 689 54.533 3.090 -16.366 1.00 0.00 H new ATOM 0 HG21 VAL A 689 54.190 0.245 -17.458 1.00 0.00 H new ATOM 0 HG22 VAL A 689 55.745 1.073 -17.212 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.455 -0.516 -16.465 1.00 0.00 H new ATOM 124 N PHE A 690 56.838 -0.290 -13.286 1.00 0.00 N ATOM 125 CA PHE A 690 57.044 -1.357 -12.311 1.00 0.00 C ATOM 126 C PHE A 690 56.609 -0.903 -10.914 1.00 0.00 C ATOM 127 O PHE A 690 55.707 -1.491 -10.316 1.00 0.00 O ATOM 128 CB PHE A 690 58.516 -1.773 -12.287 1.00 0.00 C ATOM 129 CG PHE A 690 58.977 -1.910 -10.855 1.00 0.00 C ATOM 130 CD1 PHE A 690 58.542 -2.991 -10.080 1.00 0.00 C ATOM 131 CD2 PHE A 690 59.842 -0.956 -10.304 1.00 0.00 C ATOM 132 CE1 PHE A 690 58.970 -3.118 -8.753 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.269 -1.083 -8.977 1.00 0.00 C ATOM 134 CZ PHE A 690 59.835 -2.164 -8.202 1.00 0.00 C ATOM 0 H PHE A 690 57.682 0.002 -13.778 1.00 0.00 H new ATOM 0 HA PHE A 690 56.436 -2.212 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 690 58.647 -2.718 -12.814 1.00 0.00 H new ATOM 0 HB3 PHE A 690 59.123 -1.032 -12.806 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.876 -3.727 -10.505 1.00 0.00 H new ATOM 0 HD2 PHE A 690 60.179 -0.123 -10.903 1.00 0.00 H new ATOM 0 HE1 PHE A 690 58.633 -3.951 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 690 60.934 -0.346 -8.551 1.00 0.00 H new ATOM 0 HZ PHE A 690 60.167 -2.263 -7.179 1.00 0.00 H new ATOM 144 N PHE A 691 57.170 0.216 -10.461 1.00 0.00 N ATOM 145 CA PHE A 691 56.782 0.796 -9.178 1.00 0.00 C ATOM 146 C PHE A 691 55.496 1.610 -9.327 1.00 0.00 C ATOM 147 O PHE A 691 54.679 1.670 -8.407 1.00 0.00 O ATOM 148 CB PHE A 691 57.901 1.698 -8.653 1.00 0.00 C ATOM 149 CG PHE A 691 57.321 2.722 -7.705 1.00 0.00 C ATOM 150 CD1 PHE A 691 57.075 2.379 -6.369 1.00 0.00 C ATOM 151 CD2 PHE A 691 57.028 4.012 -8.163 1.00 0.00 C ATOM 152 CE1 PHE A 691 56.537 3.328 -5.492 1.00 0.00 C ATOM 153 CE2 PHE A 691 56.489 4.960 -7.285 1.00 0.00 C ATOM 154 CZ PHE A 691 56.244 4.619 -5.950 1.00 0.00 C ATOM 0 H PHE A 691 57.891 0.737 -10.960 1.00 0.00 H new ATOM 0 HA PHE A 691 56.608 -0.014 -8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 691 58.655 1.100 -8.142 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.400 2.197 -9.484 1.00 0.00 H new ATOM 0 HD1 PHE A 691 57.300 1.383 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 691 57.218 4.276 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 691 56.348 3.065 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 691 56.262 5.955 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 691 55.829 5.351 -5.273 1.00 0.00 H new ATOM 164 N ALA A 692 55.313 2.200 -10.504 1.00 0.00 N ATOM 165 CA ALA A 692 54.149 3.040 -10.762 1.00 0.00 C ATOM 166 C ALA A 692 52.939 2.180 -11.135 1.00 0.00 C ATOM 167 O ALA A 692 51.902 2.696 -11.557 1.00 0.00 O ATOM 168 CB ALA A 692 54.453 4.017 -11.899 1.00 0.00 C ATOM 0 H ALA A 692 55.954 2.112 -11.292 1.00 0.00 H new ATOM 0 HA ALA A 692 53.918 3.599 -9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.579 4.641 -12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.297 4.648 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.700 3.459 -12.802 1.00 0.00 H new ATOM 174 N GLU A 693 53.050 0.876 -10.868 1.00 0.00 N ATOM 175 CA GLU A 693 51.885 -0.004 -10.815 1.00 0.00 C ATOM 176 C GLU A 693 51.451 -0.250 -9.369 1.00 0.00 C ATOM 177 O GLU A 693 50.339 -0.720 -9.120 1.00 0.00 O ATOM 178 CB GLU A 693 52.215 -1.342 -11.482 1.00 0.00 C ATOM 179 CG GLU A 693 51.974 -1.236 -12.989 1.00 0.00 C ATOM 180 CD GLU A 693 50.559 -1.696 -13.325 1.00 0.00 C ATOM 181 OE1 GLU A 693 49.638 -1.244 -12.664 1.00 0.00 O ATOM 182 OE2 GLU A 693 50.417 -2.491 -14.239 1.00 0.00 O1- ATOM 0 H GLU A 693 53.938 0.408 -10.685 1.00 0.00 H new ATOM 0 HA GLU A 693 51.066 0.481 -11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 693 53.253 -1.611 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 693 51.596 -2.133 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.118 -0.207 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.701 -1.846 -13.526 1.00 0.00 H new ATOM 189 N ASP A 694 52.287 0.172 -8.420 1.00 0.00 N ATOM 190 CA ASP A 694 52.064 -0.165 -7.014 1.00 0.00 C ATOM 191 C ASP A 694 51.080 0.812 -6.379 1.00 0.00 C ATOM 192 O ASP A 694 50.421 0.478 -5.395 1.00 0.00 O ATOM 193 CB ASP A 694 53.389 -0.125 -6.252 1.00 0.00 C ATOM 194 CG ASP A 694 54.330 -1.201 -6.783 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.047 -1.737 -7.842 1.00 0.00 O ATOM 196 OD2 ASP A 694 55.324 -1.468 -6.127 1.00 0.00 O1- ATOM 0 H ASP A 694 53.115 0.741 -8.596 1.00 0.00 H new ATOM 0 HA ASP A 694 51.645 -1.170 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 694 53.850 0.857 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 694 53.211 -0.279 -5.188 1.00 0.00 H new ATOM 201 N VAL A 695 50.799 1.896 -7.100 1.00 0.00 N ATOM 202 CA VAL A 695 49.875 2.916 -6.618 1.00 0.00 C ATOM 203 C VAL A 695 48.428 2.455 -6.772 1.00 0.00 C ATOM 204 O VAL A 695 47.496 3.228 -6.542 1.00 0.00 O ATOM 205 CB VAL A 695 50.084 4.218 -7.395 1.00 0.00 C ATOM 206 CG1 VAL A 695 51.586 4.558 -7.433 1.00 0.00 C ATOM 207 CG2 VAL A 695 49.560 4.047 -8.833 1.00 0.00 C ATOM 0 H VAL A 695 51.198 2.089 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 695 50.075 3.086 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 695 49.541 5.025 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 695 51.735 5.485 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 695 51.958 4.679 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 695 52.129 3.751 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 695 49.708 4.974 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 695 50.103 3.240 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 695 48.497 3.806 -8.807 1.00 0.00 H new ATOM 217 N GLY A 696 48.255 1.249 -7.306 1.00 0.00 N ATOM 218 CA GLY A 696 46.926 0.749 -7.635 1.00 0.00 C ATOM 219 C GLY A 696 46.051 0.646 -6.390 1.00 0.00 C ATOM 220 O GLY A 696 46.499 0.154 -5.354 1.00 0.00 O ATOM 0 H GLY A 696 49.015 0.603 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 696 46.454 1.412 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.009 -0.230 -8.106 1.00 0.00 H new ATOM 224 N SER A 697 44.751 0.845 -6.587 1.00 0.00 N ATOM 225 CA SER A 697 43.852 1.195 -5.488 1.00 0.00 C ATOM 226 C SER A 697 42.654 0.249 -5.465 1.00 0.00 C ATOM 227 O SER A 697 41.962 0.141 -4.453 1.00 0.00 O ATOM 228 CB SER A 697 43.363 2.635 -5.653 1.00 0.00 C ATOM 229 OG SER A 697 44.436 3.450 -6.099 1.00 0.00 O ATOM 0 H SER A 697 44.295 0.770 -7.496 1.00 0.00 H new ATOM 0 HA SER A 697 44.397 1.103 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 697 42.542 2.672 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.977 3.010 -4.705 1.00 0.00 H new ATOM 0 HG SER A 697 44.123 4.373 -6.207 1.00 0.00 H new ATOM 235 N ASN A 698 42.321 -0.292 -6.637 1.00 0.00 N ATOM 236 CA ASN A 698 41.218 -1.244 -6.751 1.00 0.00 C ATOM 237 C ASN A 698 41.442 -2.447 -5.841 1.00 0.00 C ATOM 238 O ASN A 698 42.562 -2.691 -5.387 1.00 0.00 O ATOM 239 CB ASN A 698 41.089 -1.717 -8.200 1.00 0.00 C ATOM 240 CG ASN A 698 40.690 -0.550 -9.097 1.00 0.00 C ATOM 241 OD1 ASN A 698 39.795 0.222 -8.752 1.00 0.00 O ATOM 242 ND2 ASN A 698 41.304 -0.374 -10.235 1.00 0.00 N ATOM 0 H ASN A 698 42.797 -0.088 -7.516 1.00 0.00 H new ATOM 0 HA ASN A 698 40.300 -0.742 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 698 42.035 -2.140 -8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 698 40.344 -2.509 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 698 41.043 0.404 -10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 698 42.045 -1.015 -10.519 1.00 0.00 H new ATOM 249 N LYS A 699 40.348 -3.106 -5.464 1.00 0.00 N ATOM 250 CA LYS A 699 40.415 -4.184 -4.483 1.00 0.00 C ATOM 251 C LYS A 699 41.344 -5.294 -4.966 1.00 0.00 C ATOM 252 O LYS A 699 42.153 -5.806 -4.194 1.00 0.00 O ATOM 253 CB LYS A 699 39.017 -4.756 -4.239 1.00 0.00 C ATOM 254 CG LYS A 699 38.441 -5.273 -5.560 1.00 0.00 C ATOM 255 CD LYS A 699 36.920 -5.391 -5.445 1.00 0.00 C ATOM 256 CE LYS A 699 36.565 -6.444 -4.393 1.00 0.00 C ATOM 257 NZ LYS A 699 35.273 -7.091 -4.753 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.412 -2.914 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 699 40.809 -3.777 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.065 -5.564 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 699 38.366 -3.988 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 699 38.703 -4.595 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.874 -6.244 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 699 36.490 -4.428 -5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 699 36.493 -5.667 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 699 37.354 -7.193 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 699 36.490 -5.980 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 35.032 -7.807 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 34.523 -6.372 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 35.361 -7.547 -5.683 1.00 0.00 H new ATOM 271 N GLY A 700 41.399 -5.470 -6.284 1.00 0.00 N ATOM 272 CA GLY A 700 42.228 -6.514 -6.878 1.00 0.00 C ATOM 273 C GLY A 700 43.699 -6.107 -6.881 1.00 0.00 C ATOM 274 O GLY A 700 44.584 -6.964 -6.825 1.00 0.00 O ATOM 0 H GLY A 700 40.882 -4.906 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 700 42.105 -7.443 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.898 -6.709 -7.899 1.00 0.00 H new ATOM 278 N ALA A 701 43.943 -4.806 -6.731 1.00 0.00 N ATOM 279 CA ALA A 701 45.308 -4.297 -6.650 1.00 0.00 C ATOM 280 C ALA A 701 45.962 -4.698 -5.330 1.00 0.00 C ATOM 281 O ALA A 701 47.173 -4.565 -5.168 1.00 0.00 O ATOM 282 CB ALA A 701 45.304 -2.772 -6.776 1.00 0.00 C ATOM 0 H ALA A 701 43.218 -4.091 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 701 45.882 -4.731 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.326 -2.399 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.871 -2.487 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.712 -2.342 -5.968 1.00 0.00 H new ATOM 288 N ILE A 702 45.150 -5.161 -4.379 1.00 0.00 N ATOM 289 CA ILE A 702 45.675 -5.635 -3.100 1.00 0.00 C ATOM 290 C ILE A 702 46.638 -6.803 -3.315 1.00 0.00 C ATOM 291 O ILE A 702 47.698 -6.864 -2.691 1.00 0.00 O ATOM 292 CB ILE A 702 44.525 -6.075 -2.193 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.038 -6.240 -0.760 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.963 -7.408 -2.689 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.875 -6.622 0.158 1.00 0.00 C ATOM 0 H ILE A 702 44.136 -5.217 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 702 46.216 -4.817 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 702 43.739 -5.320 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.810 -7.009 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.496 -5.312 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.143 -7.721 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.596 -7.291 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.748 -8.163 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.240 -6.740 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.118 -5.838 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.437 -7.561 -0.181 1.00 0.00 H new ATOM 307 N ILE A 703 46.340 -7.622 -4.319 1.00 0.00 N ATOM 308 CA ILE A 703 47.181 -8.769 -4.639 1.00 0.00 C ATOM 309 C ILE A 703 48.507 -8.302 -5.232 1.00 0.00 C ATOM 310 O ILE A 703 49.569 -8.571 -4.672 1.00 0.00 O ATOM 311 CB ILE A 703 46.464 -9.680 -5.638 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.303 -10.392 -4.939 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.448 -10.719 -6.179 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.198 -10.687 -5.955 1.00 0.00 C ATOM 0 H ILE A 703 45.525 -7.513 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 703 47.378 -9.324 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 703 46.078 -9.081 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.652 -11.320 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.914 -9.770 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.937 -11.368 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.274 -10.212 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.835 -11.318 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.372 -11.194 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.842 -9.752 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.592 -11.326 -6.746 1.00 0.00 H new ATOM 326 N GLY A 704 48.415 -7.407 -6.213 1.00 0.00 N ATOM 327 CA GLY A 704 49.606 -6.830 -6.826 1.00 0.00 C ATOM 328 C GLY A 704 50.336 -5.912 -5.850 1.00 0.00 C ATOM 329 O GLY A 704 51.560 -5.785 -5.906 1.00 0.00 O ATOM 0 H GLY A 704 47.533 -7.068 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.275 -7.627 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.325 -6.269 -7.717 1.00 0.00 H new ATOM 333 N LEU A 705 49.596 -5.363 -4.889 1.00 0.00 N ATOM 334 CA LEU A 705 50.183 -4.445 -3.919 1.00 0.00 C ATOM 335 C LEU A 705 51.164 -5.185 -3.020 1.00 0.00 C ATOM 336 O LEU A 705 52.216 -4.652 -2.665 1.00 0.00 O ATOM 337 CB LEU A 705 49.083 -3.807 -3.067 1.00 0.00 C ATOM 338 CG LEU A 705 49.718 -2.931 -1.986 1.00 0.00 C ATOM 339 CD1 LEU A 705 50.416 -1.726 -2.643 1.00 0.00 C ATOM 340 CD2 LEU A 705 48.624 -2.427 -1.025 1.00 0.00 C ATOM 0 H LEU A 705 48.599 -5.536 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 705 50.717 -3.663 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.424 -3.208 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 705 48.469 -4.582 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 705 50.450 -3.516 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 705 50.868 -1.102 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 705 51.190 -2.081 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.684 -1.141 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.076 -1.803 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 705 47.891 -1.843 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 705 48.129 -3.279 -0.558 1.00 0.00 H new ATOM 352 N MET A 706 50.761 -6.369 -2.569 1.00 0.00 N ATOM 353 CA MET A 706 51.608 -7.174 -1.698 1.00 0.00 C ATOM 354 C MET A 706 52.805 -7.718 -2.474 1.00 0.00 C ATOM 355 O MET A 706 53.935 -7.671 -1.984 1.00 0.00 O ATOM 356 CB MET A 706 50.802 -8.338 -1.118 1.00 0.00 C ATOM 357 CG MET A 706 49.666 -7.792 -0.251 1.00 0.00 C ATOM 358 SD MET A 706 49.928 -8.286 1.470 1.00 0.00 S ATOM 359 CE MET A 706 48.279 -7.863 2.083 1.00 0.00 C ATOM 0 H MET A 706 49.859 -6.790 -2.791 1.00 0.00 H new ATOM 0 HA MET A 706 51.970 -6.543 -0.886 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.397 -8.950 -1.924 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.450 -8.982 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.627 -6.705 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 706 48.708 -8.171 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.217 -8.091 3.147 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.095 -6.800 1.929 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.530 -8.443 1.543 1.00 0.00 H new ATOM 369 N VAL A 707 52.592 -7.961 -3.766 1.00 0.00 N ATOM 370 CA VAL A 707 53.639 -8.513 -4.621 1.00 0.00 C ATOM 371 C VAL A 707 54.774 -7.504 -4.797 1.00 0.00 C ATOM 372 O VAL A 707 55.917 -7.786 -4.436 1.00 0.00 O ATOM 373 CB VAL A 707 53.058 -8.880 -5.988 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.185 -9.323 -6.921 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.051 -10.021 -5.825 1.00 0.00 C ATOM 0 H VAL A 707 51.707 -7.785 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 707 54.037 -9.410 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 707 52.556 -8.011 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 707 53.770 -9.584 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 707 54.901 -8.510 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.689 -10.191 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.637 -10.283 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.552 -10.890 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.246 -9.704 -5.162 1.00 0.00 H new ATOM 385 N GLY A 708 54.405 -6.267 -5.123 1.00 0.00 N ATOM 386 CA GLY A 708 55.388 -5.200 -5.288 1.00 0.00 C ATOM 387 C GLY A 708 55.618 -4.457 -3.974 1.00 0.00 C ATOM 388 O GLY A 708 56.463 -3.564 -3.901 1.00 0.00 O ATOM 0 H GLY A 708 53.438 -5.980 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.330 -5.620 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.045 -4.500 -6.050 1.00 0.00 H new ATOM 392 N GLY A 709 54.944 -4.908 -2.917 1.00 0.00 N ATOM 393 CA GLY A 709 55.024 -4.236 -1.623 1.00 0.00 C ATOM 394 C GLY A 709 56.109 -4.854 -0.749 1.00 0.00 C ATOM 395 O GLY A 709 56.087 -4.715 0.474 1.00 0.00 O ATOM 0 H GLY A 709 54.341 -5.730 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.233 -3.177 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.062 -4.303 -1.115 1.00 0.00 H new ATOM 399 N VAL A 710 57.006 -5.611 -1.376 1.00 0.00 N ATOM 400 CA VAL A 710 58.094 -6.259 -0.651 1.00 0.00 C ATOM 401 C VAL A 710 59.213 -5.262 -0.350 1.00 0.00 C ATOM 402 O VAL A 710 59.778 -5.267 0.746 1.00 0.00 O ATOM 403 CB VAL A 710 58.652 -7.423 -1.472 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.556 -8.471 -1.682 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.132 -6.907 -2.831 1.00 0.00 C ATOM 0 H VAL A 710 57.001 -5.790 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 710 57.698 -6.637 0.292 1.00 0.00 H new ATOM 0 HB VAL A 710 59.489 -7.874 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 710 57.953 -9.301 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.215 -8.840 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.718 -8.020 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.529 -7.737 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.296 -6.455 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.913 -6.161 -2.682 1.00 0.00 H new ATOM 415 N VAL A 711 59.416 -4.314 -1.262 1.00 0.00 N ATOM 416 CA VAL A 711 60.464 -3.309 -1.092 1.00 0.00 C ATOM 417 C VAL A 711 60.076 -2.309 -0.007 1.00 0.00 C ATOM 418 O VAL A 711 60.910 -1.913 0.809 1.00 0.00 O ATOM 419 CB VAL A 711 60.709 -2.573 -2.410 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.833 -3.268 -3.182 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.429 -2.586 -3.249 1.00 0.00 C ATOM 0 H VAL A 711 58.873 -4.220 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 711 61.380 -3.817 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 711 60.995 -1.542 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.008 -2.743 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.745 -3.257 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.548 -4.299 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.604 -2.061 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.141 -3.616 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.629 -2.090 -2.700 1.00 0.00 H new ATOM 431 N ILE A 712 58.821 -1.870 -0.031 1.00 0.00 N ATOM 432 CA ILE A 712 58.337 -0.900 0.947 1.00 0.00 C ATOM 433 C ILE A 712 58.218 -1.541 2.327 1.00 0.00 C ATOM 434 O ILE A 712 58.282 -0.856 3.348 1.00 0.00 O ATOM 435 CB ILE A 712 56.974 -0.356 0.515 1.00 0.00 C ATOM 436 CG1 ILE A 712 55.961 -1.502 0.461 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.095 0.284 -0.869 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.597 -0.959 0.026 1.00 0.00 C ATOM 0 H ILE A 712 58.124 -2.168 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 712 59.054 -0.081 1.001 1.00 0.00 H new ATOM 0 HB ILE A 712 56.638 0.392 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.299 -2.267 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.880 -1.976 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.124 0.672 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.816 1.101 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.432 -0.464 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.876 -1.775 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.259 -0.209 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.684 -0.505 -0.961 1.00 0.00 H new ATOM 450 N ALA A 713 58.036 -2.860 2.346 1.00 0.00 N ATOM 451 CA ALA A 713 57.936 -3.592 3.604 1.00 0.00 C ATOM 452 C ALA A 713 59.246 -3.502 4.379 1.00 0.00 C ATOM 453 O ALA A 713 59.302 -2.842 5.417 1.00 0.00 O ATOM 454 CB ALA A 713 57.599 -5.059 3.331 1.00 0.00 C ATOM 0 H ALA A 713 57.955 -3.439 1.510 1.00 0.00 H new ATOM 0 HA ALA A 713 57.142 -3.145 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.526 -5.598 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.647 -5.122 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.383 -5.505 2.719 1.00 0.00 H new ATOM 460 N THR A 714 60.336 -3.881 3.714 1.00 0.00 N ATOM 461 CA THR A 714 61.657 -3.848 4.336 1.00 0.00 C ATOM 462 C THR A 714 61.994 -2.440 4.821 1.00 0.00 C ATOM 463 O THR A 714 62.433 -2.262 5.957 1.00 0.00 O ATOM 464 CB THR A 714 62.717 -4.311 3.335 1.00 0.00 C ATOM 465 OG1 THR A 714 62.376 -3.847 2.036 1.00 0.00 O ATOM 466 CG2 THR A 714 62.782 -5.840 3.329 1.00 0.00 C ATOM 0 H THR A 714 60.330 -4.213 2.749 1.00 0.00 H new ATOM 0 HA THR A 714 61.647 -4.520 5.194 1.00 0.00 H new ATOM 0 HB THR A 714 63.688 -3.908 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.916 -2.985 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.537 -6.169 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.044 -6.197 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.811 -6.244 3.042 1.00 0.00 H new ATOM 474 N VAL A 715 61.568 -1.442 4.050 1.00 0.00 N ATOM 475 CA VAL A 715 61.840 -0.048 4.392 1.00 0.00 C ATOM 476 C VAL A 715 61.113 0.338 5.678 1.00 0.00 C ATOM 477 O VAL A 715 61.750 0.682 6.674 1.00 0.00 O ATOM 478 CB VAL A 715 61.387 0.866 3.252 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.608 2.328 3.648 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.198 0.552 1.992 1.00 0.00 C ATOM 0 H VAL A 715 61.036 -1.571 3.189 1.00 0.00 H new ATOM 0 HA VAL A 715 62.913 0.068 4.545 1.00 0.00 H new ATOM 0 HB VAL A 715 60.328 0.700 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.285 2.978 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.030 2.553 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.667 2.495 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.875 1.203 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.257 0.717 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.040 -0.488 1.707 1.00 0.00 H new ATOM 490 N ILE A 716 59.821 0.025 5.723 1.00 0.00 N ATOM 491 CA ILE A 716 59.015 0.279 6.912 1.00 0.00 C ATOM 492 C ILE A 716 59.501 -0.581 8.079 1.00 0.00 C ATOM 493 O ILE A 716 59.734 -0.071 9.176 1.00 0.00 O ATOM 494 CB ILE A 716 57.545 -0.031 6.622 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.927 1.126 5.835 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.790 -0.215 7.940 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.612 2.283 6.786 1.00 0.00 C ATOM 0 H ILE A 716 59.311 -0.404 4.951 1.00 0.00 H new ATOM 0 HA ILE A 716 59.116 1.330 7.182 1.00 0.00 H new ATOM 0 HB ILE A 716 57.476 -0.947 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.614 1.458 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.017 0.794 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.743 -0.436 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.231 -1.040 8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.858 0.700 8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.172 3.107 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.909 1.947 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.531 2.621 7.265 1.00 0.00 H new ATOM 509 N VAL A 717 59.840 -1.832 7.778 1.00 0.00 N ATOM 510 CA VAL A 717 60.200 -2.793 8.817 1.00 0.00 C ATOM 511 C VAL A 717 61.534 -2.411 9.454 1.00 0.00 C ATOM 512 O VAL A 717 61.637 -2.317 10.677 1.00 0.00 O ATOM 513 CB VAL A 717 60.298 -4.198 8.220 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.865 -5.160 9.266 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.905 -4.669 7.795 1.00 0.00 C ATOM 0 H VAL A 717 59.873 -2.203 6.828 1.00 0.00 H new ATOM 0 HA VAL A 717 59.426 -2.782 9.584 1.00 0.00 H new ATOM 0 HB VAL A 717 60.956 -4.178 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.935 -6.161 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.857 -4.825 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.208 -5.181 10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.974 -5.670 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.247 -4.688 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.501 -3.984 7.049 1.00 0.00 H new ATOM 525 N ILE A 718 62.484 -2.006 8.613 1.00 0.00 N ATOM 526 CA ILE A 718 63.794 -1.578 9.095 1.00 0.00 C ATOM 527 C ILE A 718 63.660 -0.344 9.984 1.00 0.00 C ATOM 528 O ILE A 718 64.218 -0.300 11.082 1.00 0.00 O ATOM 529 CB ILE A 718 64.708 -1.258 7.909 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.155 -2.562 7.244 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.935 -0.490 8.402 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.681 -2.266 5.839 1.00 0.00 C ATOM 0 H ILE A 718 62.371 -1.966 7.600 1.00 0.00 H new ATOM 0 HA ILE A 718 64.228 -2.389 9.680 1.00 0.00 H new ATOM 0 HB ILE A 718 64.165 -0.649 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.932 -3.039 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.320 -3.260 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.585 -0.262 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.617 0.439 8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.479 -1.098 9.125 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.999 -3.195 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.891 -1.808 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.528 -1.583 5.904 1.00 0.00 H new ATOM 544 N THR A 719 62.791 0.579 9.579 1.00 0.00 N ATOM 545 CA THR A 719 62.529 1.774 10.373 1.00 0.00 C ATOM 546 C THR A 719 61.864 1.405 11.698 1.00 0.00 C ATOM 547 O THR A 719 62.206 1.960 12.743 1.00 0.00 O ATOM 548 CB THR A 719 61.623 2.731 9.594 1.00 0.00 C ATOM 549 OG1 THR A 719 62.237 3.058 8.355 1.00 0.00 O ATOM 550 CG2 THR A 719 61.405 4.008 10.409 1.00 0.00 C ATOM 0 H THR A 719 62.259 0.522 8.710 1.00 0.00 H new ATOM 0 HA THR A 719 63.480 2.263 10.582 1.00 0.00 H new ATOM 0 HB THR A 719 60.662 2.252 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 719 62.138 2.307 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.760 4.689 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.935 3.757 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.365 4.489 10.595 1.00 0.00 H new ATOM 558 N LEU A 720 61.082 0.329 11.672 1.00 0.00 N ATOM 559 CA LEU A 720 60.371 -0.122 12.863 1.00 0.00 C ATOM 560 C LEU A 720 61.349 -0.670 13.902 1.00 0.00 C ATOM 561 O LEU A 720 61.127 -0.529 15.106 1.00 0.00 O ATOM 562 CB LEU A 720 59.361 -1.208 12.488 1.00 0.00 C ATOM 563 CG LEU A 720 57.945 -0.722 12.806 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.559 0.398 11.837 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.961 -1.885 12.659 1.00 0.00 C ATOM 0 H LEU A 720 60.926 -0.244 10.843 1.00 0.00 H new ATOM 0 HA LEU A 720 59.846 0.731 13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.445 -1.447 11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.575 -2.124 13.039 1.00 0.00 H new ATOM 0 HG LEU A 720 57.912 -0.345 13.828 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.550 0.744 12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 720 58.259 1.227 11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.592 0.022 10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.952 -1.539 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.994 -2.263 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.235 -2.683 13.350 1.00 0.00 H new ATOM 577 N VAL A 721 62.500 -1.149 13.430 1.00 0.00 N ATOM 578 CA VAL A 721 63.547 -1.631 14.329 1.00 0.00 C ATOM 579 C VAL A 721 64.133 -0.474 15.135 1.00 0.00 C ATOM 580 O VAL A 721 64.590 -0.663 16.264 1.00 0.00 O ATOM 581 CB VAL A 721 64.658 -2.309 13.525 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.688 -2.912 14.484 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.057 -3.420 12.660 1.00 0.00 C ATOM 0 H VAL A 721 62.730 -1.213 12.438 1.00 0.00 H new ATOM 0 HA VAL A 721 63.106 -2.353 15.016 1.00 0.00 H new ATOM 0 HB VAL A 721 65.144 -1.572 12.886 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.480 -3.395 13.911 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.117 -2.122 15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.202 -3.649 15.124 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.848 -3.903 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.571 -4.156 13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.323 -2.992 11.976 1.00 0.00 H new ATOM 593 N MET A 722 64.196 0.700 14.512 1.00 0.00 N ATOM 594 CA MET A 722 64.767 1.874 15.169 1.00 0.00 C ATOM 595 C MET A 722 63.755 2.492 16.128 1.00 0.00 C ATOM 596 O MET A 722 64.120 2.956 17.210 1.00 0.00 O ATOM 597 CB MET A 722 65.179 2.911 14.122 1.00 0.00 C ATOM 598 CG MET A 722 66.306 2.344 13.257 1.00 0.00 C ATOM 599 SD MET A 722 67.806 3.327 13.499 1.00 0.00 S ATOM 600 CE MET A 722 68.777 2.594 12.158 1.00 0.00 C ATOM 0 H MET A 722 63.862 0.864 13.562 1.00 0.00 H new ATOM 0 HA MET A 722 65.645 1.561 15.734 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.324 3.173 13.498 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.508 3.827 14.612 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.494 1.303 13.522 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.015 2.358 12.207 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.761 3.062 12.123 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.890 1.524 12.333 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.265 2.754 11.209 1.00 0.00 H new ATOM 610 N LEU A 723 62.474 2.328 15.808 1.00 0.00 N ATOM 611 CA LEU A 723 61.409 2.827 16.668 1.00 0.00 C ATOM 612 C LEU A 723 61.323 2.012 17.954 1.00 0.00 C ATOM 613 O LEU A 723 61.314 2.580 19.046 1.00 0.00 O ATOM 614 CB LEU A 723 60.069 2.762 15.933 1.00 0.00 C ATOM 615 CG LEU A 723 60.073 3.757 14.769 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.813 3.548 13.909 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.082 5.194 15.322 1.00 0.00 C ATOM 0 H LEU A 723 62.151 1.856 14.964 1.00 0.00 H new ATOM 0 HA LEU A 723 61.636 3.862 16.924 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.895 1.752 15.561 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.255 2.993 16.620 1.00 0.00 H new ATOM 0 HG LEU A 723 60.961 3.596 14.158 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.816 4.256 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.805 2.531 13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.925 3.708 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.085 5.903 14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.194 5.354 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.974 5.344 15.931 1.00 0.00 H new ATOM 629 N LYS A 724 61.530 0.704 17.828 1.00 0.00 N ATOM 630 CA LYS A 724 61.380 -0.197 18.964 1.00 0.00 C ATOM 631 C LYS A 724 62.743 -0.655 19.472 1.00 0.00 C ATOM 632 O LYS A 724 63.490 -1.315 18.748 1.00 0.00 O ATOM 633 CB LYS A 724 60.548 -1.416 18.558 1.00 0.00 C ATOM 634 CG LYS A 724 59.770 -1.932 19.772 1.00 0.00 C ATOM 635 CD LYS A 724 59.086 -3.254 19.415 1.00 0.00 C ATOM 636 CE LYS A 724 59.980 -4.421 19.840 1.00 0.00 C ATOM 637 NZ LYS A 724 59.404 -5.698 19.329 1.00 0.00 N1+ ATOM 0 H LYS A 724 61.800 0.248 16.957 1.00 0.00 H new ATOM 0 HA LYS A 724 60.871 0.341 19.764 1.00 0.00 H new ATOM 0 HB2 LYS A 724 59.858 -1.148 17.758 1.00 0.00 H new ATOM 0 HB3 LYS A 724 61.198 -2.200 18.169 1.00 0.00 H new ATOM 0 HG2 LYS A 724 60.445 -2.076 20.616 1.00 0.00 H new ATOM 0 HG3 LYS A 724 59.026 -1.197 20.080 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.119 -3.322 19.914 1.00 0.00 H new ATOM 0 HD3 LYS A 724 58.895 -3.299 18.343 1.00 0.00 H new ATOM 0 HE2 LYS A 724 60.988 -4.282 19.450 1.00 0.00 H new ATOM 0 HE3 LYS A 724 60.061 -4.455 20.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 60.011 -6.492 19.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 58.450 -5.830 19.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 59.349 -5.663 18.291 1.00 0.00 H new ATOM 651 N LYS A 725 62.957 -0.497 20.776 1.00 0.00 N ATOM 652 CA LYS A 725 64.236 -0.855 21.384 1.00 0.00 C ATOM 653 C LYS A 725 64.214 -2.302 21.871 1.00 0.00 C ATOM 654 O LYS A 725 63.309 -3.064 21.525 1.00 0.00 O ATOM 655 CB LYS A 725 64.542 0.078 22.559 1.00 0.00 C ATOM 656 CG LYS A 725 63.234 0.531 23.209 1.00 0.00 C ATOM 657 CD LYS A 725 62.534 -0.672 23.846 1.00 0.00 C ATOM 658 CE LYS A 725 61.493 -0.182 24.856 1.00 0.00 C ATOM 659 NZ LYS A 725 60.418 -1.205 24.996 1.00 0.00 N1+ ATOM 0 H LYS A 725 62.266 -0.126 21.428 1.00 0.00 H new ATOM 0 HA LYS A 725 65.014 -0.750 20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 725 65.165 -0.435 23.291 1.00 0.00 H new ATOM 0 HB3 LYS A 725 65.106 0.944 22.212 1.00 0.00 H new ATOM 0 HG2 LYS A 725 63.436 1.290 23.965 1.00 0.00 H new ATOM 0 HG3 LYS A 725 62.585 0.989 22.463 1.00 0.00 H new ATOM 0 HD2 LYS A 725 62.053 -1.276 23.076 1.00 0.00 H new ATOM 0 HD3 LYS A 725 63.265 -1.311 24.342 1.00 0.00 H new ATOM 0 HE2 LYS A 725 61.965 0.000 25.822 1.00 0.00 H new ATOM 0 HE3 LYS A 725 61.068 0.766 24.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 59.710 -0.873 25.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 59.962 -1.358 24.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 60.831 -2.099 25.330 1.00 0.00 H new ATOM 673 N LYS A 726 65.309 -2.722 22.501 1.00 0.00 N ATOM 674 CA LYS A 726 65.379 -4.051 23.102 1.00 0.00 C ATOM 675 C LYS A 726 66.284 -4.044 24.332 1.00 0.00 C ATOM 676 O LYS A 726 67.036 -3.095 24.554 1.00 0.00 O ATOM 677 CB LYS A 726 65.912 -5.057 22.079 1.00 0.00 C ATOM 678 CG LYS A 726 67.345 -4.681 21.694 1.00 0.00 C ATOM 679 CD LYS A 726 67.566 -4.963 20.206 1.00 0.00 C ATOM 680 CE LYS A 726 69.047 -4.790 19.866 1.00 0.00 C ATOM 681 NZ LYS A 726 69.248 -4.985 18.403 1.00 0.00 N1+ ATOM 0 H LYS A 726 66.156 -2.164 22.608 1.00 0.00 H new ATOM 0 HA LYS A 726 64.375 -4.341 23.411 1.00 0.00 H new ATOM 0 HB2 LYS A 726 65.888 -6.064 22.496 1.00 0.00 H new ATOM 0 HB3 LYS A 726 65.276 -5.064 21.194 1.00 0.00 H new ATOM 0 HG2 LYS A 726 67.525 -3.627 21.906 1.00 0.00 H new ATOM 0 HG3 LYS A 726 68.055 -5.252 22.292 1.00 0.00 H new ATOM 0 HD2 LYS A 726 67.243 -5.976 19.966 1.00 0.00 H new ATOM 0 HD3 LYS A 726 66.962 -4.284 19.603 1.00 0.00 H new ATOM 0 HE2 LYS A 726 69.385 -3.797 20.161 1.00 0.00 H new ATOM 0 HE3 LYS A 726 69.646 -5.509 20.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 70.255 -4.867 18.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 68.941 -5.942 18.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 68.688 -4.282 17.879 1.00 0.00 H new ATOM 695 N GLN A 727 66.284 -5.158 25.063 1.00 0.00 N ATOM 696 CA GLN A 727 67.066 -5.266 26.292 1.00 0.00 C ATOM 697 C GLN A 727 68.348 -6.056 26.040 1.00 0.00 C ATOM 698 O GLN A 727 69.436 -5.480 25.997 1.00 0.00 O ATOM 699 CB GLN A 727 66.241 -5.959 27.378 1.00 0.00 C ATOM 700 CG GLN A 727 65.339 -4.933 28.069 1.00 0.00 C ATOM 701 CD GLN A 727 64.356 -4.346 27.063 1.00 0.00 C ATOM 702 OE1 GLN A 727 63.395 -5.008 26.674 1.00 0.00 O ATOM 703 NE2 GLN A 727 64.537 -3.132 26.619 1.00 0.00 N ATOM 0 H GLN A 727 65.753 -5.996 24.826 1.00 0.00 H new ATOM 0 HA GLN A 727 67.329 -4.262 26.624 1.00 0.00 H new ATOM 0 HB2 GLN A 727 65.637 -6.753 26.939 1.00 0.00 H new ATOM 0 HB3 GLN A 727 66.902 -6.428 28.108 1.00 0.00 H new ATOM 0 HG2 GLN A 727 64.796 -5.406 28.888 1.00 0.00 H new ATOM 0 HG3 GLN A 727 65.945 -4.139 28.505 1.00 0.00 H new ATOM 0 HE21 GLN A 727 65.334 -2.584 26.942 1.00 0.00 H new ATOM 0 HE22 GLN A 727 63.881 -2.731 25.949 1.00 0.00 H new ATOM 712 N TYR A 728 68.185 -7.328 25.672 1.00 0.00 N ATOM 713 CA TYR A 728 69.329 -8.178 25.333 1.00 0.00 C ATOM 714 C TYR A 728 70.373 -8.155 26.445 1.00 0.00 C ATOM 715 O TYR A 728 71.174 -9.079 26.577 1.00 0.00 O ATOM 716 CB TYR A 728 69.961 -7.705 24.023 1.00 0.00 C ATOM 717 CG TYR A 728 69.538 -8.622 22.899 1.00 0.00 C ATOM 718 CD1 TYR A 728 68.178 -8.849 22.655 1.00 0.00 C ATOM 719 CD2 TYR A 728 70.505 -9.241 22.100 1.00 0.00 C ATOM 720 CE1 TYR A 728 67.786 -9.697 21.612 1.00 0.00 C ATOM 721 CE2 TYR A 728 70.114 -10.088 21.056 1.00 0.00 C ATOM 722 CZ TYR A 728 68.754 -10.316 20.813 1.00 0.00 C ATOM 723 OH TYR A 728 68.369 -11.154 19.786 1.00 0.00 O ATOM 0 H TYR A 728 67.279 -7.790 25.601 1.00 0.00 H new ATOM 0 HA TYR A 728 68.971 -9.201 25.216 1.00 0.00 H new ATOM 0 HB2 TYR A 728 69.653 -6.682 23.807 1.00 0.00 H new ATOM 0 HB3 TYR A 728 71.047 -7.699 24.112 1.00 0.00 H new ATOM 0 HD1 TYR A 728 67.431 -8.370 23.271 1.00 0.00 H new ATOM 0 HD2 TYR A 728 71.554 -9.065 22.289 1.00 0.00 H new ATOM 0 HE1 TYR A 728 66.737 -9.873 21.424 1.00 0.00 H new ATOM 0 HE2 TYR A 728 70.861 -10.565 20.439 1.00 0.00 H new ATOM 0 HH TYR A 728 69.165 -11.500 19.330 1.00 0.00 H new TER 733 TYR A 728