USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 697 SER OG : rot 180:sc= -0.0281 USER MOD Set 1.2: A 698 ASN : amide:sc= 0 X(o=-0.028,f=-0.067) USER MOD Single : A 684 HIS : no HD1:sc= -0.625 K(o=-0.62,f=0.0076) USER MOD Single : A 685 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.42) USER MOD Single : A 686 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.069) USER MOD Single : A 687 LYS NZ :NH3+ 159:sc= -0.0178 (180deg=-0.688) 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 -16:sc= 1.04 USER MOD Single : A 719 THR OG1 : rot 99:sc= 1.26 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -154:sc= -0.0873 (180deg=-0.676) USER MOD Single : A 725 LYS NZ :NH3+ 164:sc= -0.0212 (180deg=-0.469) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 68.259 11.540 -23.462 1.00 0.00 N ATOM 2 CA VAL A 683 67.996 10.853 -24.722 1.00 0.00 C ATOM 3 C VAL A 683 67.452 9.449 -24.466 1.00 0.00 C ATOM 4 O VAL A 683 66.608 8.959 -25.217 1.00 0.00 O ATOM 5 CB VAL A 683 69.284 10.767 -25.554 1.00 0.00 C ATOM 6 CG1 VAL A 683 69.851 12.175 -25.765 1.00 0.00 C ATOM 7 CG2 VAL A 683 70.321 9.904 -24.824 1.00 0.00 C ATOM 0 HA VAL A 683 67.248 11.422 -25.274 1.00 0.00 H new ATOM 0 HB VAL A 683 69.057 10.315 -26.519 1.00 0.00 H new ATOM 0 HG11 VAL A 683 70.765 12.114 -26.355 1.00 0.00 H new ATOM 0 HG12 VAL A 683 69.119 12.787 -26.292 1.00 0.00 H new ATOM 0 HG13 VAL A 683 70.073 12.627 -24.798 1.00 0.00 H new ATOM 0 HG21 VAL A 683 71.232 9.848 -25.420 1.00 0.00 H new ATOM 0 HG22 VAL A 683 70.548 10.350 -23.855 1.00 0.00 H new ATOM 0 HG23 VAL A 683 69.921 8.901 -24.677 1.00 0.00 H new ATOM 16 N HIS A 684 67.815 8.882 -23.317 1.00 0.00 N ATOM 17 CA HIS A 684 67.333 7.558 -22.938 1.00 0.00 C ATOM 18 C HIS A 684 65.944 7.649 -22.308 1.00 0.00 C ATOM 19 O HIS A 684 65.284 8.686 -22.395 1.00 0.00 O ATOM 20 CB HIS A 684 68.310 6.914 -21.944 1.00 0.00 C ATOM 21 CG HIS A 684 68.699 5.544 -22.431 1.00 0.00 C ATOM 22 ND1 HIS A 684 69.999 5.231 -22.791 1.00 0.00 N ATOM 23 CD2 HIS A 684 67.977 4.386 -22.591 1.00 0.00 C ATOM 24 CE1 HIS A 684 70.033 3.918 -23.086 1.00 0.00 C ATOM 25 NE2 HIS A 684 68.820 3.366 -23.020 1.00 0.00 N ATOM 0 H HIS A 684 68.438 9.317 -22.636 1.00 0.00 H new ATOM 0 HA HIS A 684 67.268 6.943 -23.836 1.00 0.00 H new ATOM 0 HB2 HIS A 684 69.197 7.538 -21.836 1.00 0.00 H new ATOM 0 HB3 HIS A 684 67.848 6.843 -20.959 1.00 0.00 H new ATOM 0 HD2 HIS A 684 66.917 4.283 -22.411 1.00 0.00 H new ATOM 0 HE1 HIS A 684 70.932 3.378 -23.344 1.00 0.00 H new ATOM 0 HE2 HIS A 684 68.565 2.403 -23.238 1.00 0.00 H new ATOM 33 N HIS A 685 65.445 6.510 -21.829 1.00 0.00 N ATOM 34 CA HIS A 685 64.104 6.446 -21.254 1.00 0.00 C ATOM 35 C HIS A 685 64.133 5.699 -19.923 1.00 0.00 C ATOM 36 O HIS A 685 64.595 4.559 -19.855 1.00 0.00 O ATOM 37 CB HIS A 685 63.152 5.733 -22.220 1.00 0.00 C ATOM 38 CG HIS A 685 63.214 6.389 -23.573 1.00 0.00 C ATOM 39 ND1 HIS A 685 62.884 7.721 -23.765 1.00 0.00 N ATOM 40 CD2 HIS A 685 63.648 5.933 -24.794 1.00 0.00 C ATOM 41 CE1 HIS A 685 63.242 8.048 -25.019 1.00 0.00 C ATOM 42 NE2 HIS A 685 63.641 6.978 -25.713 1.00 0.00 N ATOM 0 H HIS A 685 65.948 5.623 -21.828 1.00 0.00 H new ATOM 0 HA HIS A 685 63.751 7.463 -21.084 1.00 0.00 H new ATOM 0 HB2 HIS A 685 63.424 4.681 -22.303 1.00 0.00 H new ATOM 0 HB3 HIS A 685 62.133 5.769 -21.834 1.00 0.00 H new ATOM 0 HD2 HIS A 685 63.949 4.918 -25.008 1.00 0.00 H new ATOM 0 HE1 HIS A 685 63.211 9.052 -25.416 1.00 0.00 H new ATOM 0 HE2 HIS A 685 63.887 6.936 -26.702 1.00 0.00 H new ATOM 50 N GLN A 686 63.770 6.398 -18.850 1.00 0.00 N ATOM 51 CA GLN A 686 63.715 5.785 -17.525 1.00 0.00 C ATOM 52 C GLN A 686 62.325 5.212 -17.252 1.00 0.00 C ATOM 53 O GLN A 686 61.325 5.724 -17.758 1.00 0.00 O ATOM 54 CB GLN A 686 64.066 6.820 -16.449 1.00 0.00 C ATOM 55 CG GLN A 686 63.274 8.113 -16.687 1.00 0.00 C ATOM 56 CD GLN A 686 62.946 8.779 -15.354 1.00 0.00 C ATOM 57 OE1 GLN A 686 63.346 9.917 -15.112 1.00 0.00 O ATOM 58 NE2 GLN A 686 62.217 8.142 -14.479 1.00 0.00 N ATOM 0 H GLN A 686 63.511 7.384 -18.871 1.00 0.00 H new ATOM 0 HA GLN A 686 64.441 4.973 -17.495 1.00 0.00 H new ATOM 0 HB2 GLN A 686 63.838 6.421 -15.461 1.00 0.00 H new ATOM 0 HB3 GLN A 686 65.135 7.030 -16.469 1.00 0.00 H new ATOM 0 HG2 GLN A 686 63.853 8.794 -17.310 1.00 0.00 H new ATOM 0 HG3 GLN A 686 62.354 7.891 -17.228 1.00 0.00 H new ATOM 0 HE21 GLN A 686 61.886 7.199 -14.681 1.00 0.00 H new ATOM 0 HE22 GLN A 686 61.978 8.588 -13.593 1.00 0.00 H new ATOM 67 N LYS A 687 62.284 4.077 -16.557 1.00 0.00 N ATOM 68 CA LYS A 687 61.017 3.428 -16.236 1.00 0.00 C ATOM 69 C LYS A 687 60.333 4.138 -15.070 1.00 0.00 C ATOM 70 O LYS A 687 59.361 4.868 -15.267 1.00 0.00 O ATOM 71 CB LYS A 687 61.256 1.958 -15.877 1.00 0.00 C ATOM 72 CG LYS A 687 61.323 1.123 -17.158 1.00 0.00 C ATOM 73 CD LYS A 687 61.915 -0.256 -16.846 1.00 0.00 C ATOM 74 CE LYS A 687 61.528 -1.249 -17.947 1.00 0.00 C ATOM 75 NZ LYS A 687 61.561 -0.568 -19.274 1.00 0.00 N1+ ATOM 0 H LYS A 687 63.110 3.591 -16.207 1.00 0.00 H new ATOM 0 HA LYS A 687 60.369 3.484 -17.111 1.00 0.00 H new ATOM 0 HB2 LYS A 687 62.185 1.856 -15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 687 60.454 1.594 -15.235 1.00 0.00 H new ATOM 0 HG2 LYS A 687 60.326 1.013 -17.584 1.00 0.00 H new ATOM 0 HG3 LYS A 687 61.934 1.632 -17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 687 63.000 -0.187 -16.771 1.00 0.00 H new ATOM 0 HD3 LYS A 687 61.550 -0.609 -15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 687 62.215 -2.095 -17.945 1.00 0.00 H new ATOM 0 HE3 LYS A 687 60.531 -1.647 -17.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 61.653 -1.279 -20.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 60.681 -0.031 -19.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 62.372 0.082 -19.311 1.00 0.00 H new ATOM 89 N LEU A 688 60.763 3.808 -13.852 1.00 0.00 N ATOM 90 CA LEU A 688 60.199 4.415 -12.647 1.00 0.00 C ATOM 91 C LEU A 688 58.799 3.869 -12.362 1.00 0.00 C ATOM 92 O LEU A 688 58.301 3.984 -11.241 1.00 0.00 O ATOM 93 CB LEU A 688 60.133 5.939 -12.803 1.00 0.00 C ATOM 94 CG LEU A 688 60.333 6.608 -11.437 1.00 0.00 C ATOM 95 CD1 LEU A 688 61.832 6.779 -11.162 1.00 0.00 C ATOM 96 CD2 LEU A 688 59.652 7.980 -11.436 1.00 0.00 C ATOM 0 H LEU A 688 61.499 3.125 -13.674 1.00 0.00 H new ATOM 0 HA LEU A 688 60.848 4.163 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 688 60.900 6.276 -13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 688 59.170 6.230 -13.224 1.00 0.00 H new ATOM 0 HG LEU A 688 59.893 5.983 -10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 688 61.972 7.254 -10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 688 62.315 5.802 -11.161 1.00 0.00 H new ATOM 0 HD13 LEU A 688 62.276 7.402 -11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 688 59.794 8.456 -10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 688 60.091 8.605 -12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 688 58.586 7.857 -11.628 1.00 0.00 H new ATOM 108 N VAL A 689 58.231 3.162 -13.337 1.00 0.00 N ATOM 109 CA VAL A 689 56.904 2.574 -13.168 1.00 0.00 C ATOM 110 C VAL A 689 56.962 1.402 -12.192 1.00 0.00 C ATOM 111 O VAL A 689 55.948 1.028 -11.602 1.00 0.00 O ATOM 112 CB VAL A 689 56.367 2.093 -14.524 1.00 0.00 C ATOM 113 CG1 VAL A 689 55.002 1.423 -14.331 1.00 0.00 C ATOM 114 CG2 VAL A 689 56.218 3.288 -15.469 1.00 0.00 C ATOM 0 H VAL A 689 58.664 2.984 -14.243 1.00 0.00 H new ATOM 0 HA VAL A 689 56.235 3.335 -12.765 1.00 0.00 H new ATOM 0 HB VAL A 689 57.065 1.374 -14.953 1.00 0.00 H new ATOM 0 HG11 VAL A 689 54.624 1.083 -15.295 1.00 0.00 H new ATOM 0 HG12 VAL A 689 55.107 0.570 -13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 689 54.303 2.139 -13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.837 2.946 -16.431 1.00 0.00 H new ATOM 0 HG22 VAL A 689 55.522 4.008 -15.038 1.00 0.00 H new ATOM 0 HG23 VAL A 689 57.189 3.763 -15.611 1.00 0.00 H new ATOM 124 N PHE A 690 58.183 0.969 -11.879 1.00 0.00 N ATOM 125 CA PHE A 690 58.387 -0.090 -10.897 1.00 0.00 C ATOM 126 C PHE A 690 57.761 0.289 -9.557 1.00 0.00 C ATOM 127 O PHE A 690 56.774 -0.318 -9.136 1.00 0.00 O ATOM 128 CB PHE A 690 59.886 -0.341 -10.713 1.00 0.00 C ATOM 129 CG PHE A 690 60.094 -1.610 -9.919 1.00 0.00 C ATOM 130 CD1 PHE A 690 59.998 -2.854 -10.556 1.00 0.00 C ATOM 131 CD2 PHE A 690 60.268 -1.545 -8.531 1.00 0.00 C ATOM 132 CE1 PHE A 690 60.074 -4.032 -9.803 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.350 -2.723 -7.781 1.00 0.00 C ATOM 134 CZ PHE A 690 60.276 -3.967 -8.420 1.00 0.00 C ATOM 0 H PHE A 690 59.041 1.335 -12.291 1.00 0.00 H new ATOM 0 HA PHE A 690 57.906 -0.998 -11.261 1.00 0.00 H new ATOM 0 HB2 PHE A 690 60.373 -0.424 -11.685 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.346 0.502 -10.197 1.00 0.00 H new ATOM 0 HD1 PHE A 690 59.866 -2.904 -11.627 1.00 0.00 H new ATOM 0 HD2 PHE A 690 60.339 -0.586 -8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 690 59.977 -4.991 -10.290 1.00 0.00 H new ATOM 0 HE2 PHE A 690 60.470 -2.673 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 690 60.375 -4.876 -7.845 1.00 0.00 H new ATOM 144 N PHE A 691 58.192 1.425 -9.016 1.00 0.00 N ATOM 145 CA PHE A 691 57.703 1.884 -7.720 1.00 0.00 C ATOM 146 C PHE A 691 56.306 2.481 -7.854 1.00 0.00 C ATOM 147 O PHE A 691 55.486 2.371 -6.943 1.00 0.00 O ATOM 148 CB PHE A 691 58.654 2.937 -7.145 1.00 0.00 C ATOM 149 CG PHE A 691 60.051 2.366 -7.054 1.00 0.00 C ATOM 150 CD1 PHE A 691 60.443 1.652 -5.916 1.00 0.00 C ATOM 151 CD2 PHE A 691 60.939 2.514 -8.127 1.00 0.00 C ATOM 152 CE1 PHE A 691 61.740 1.127 -5.834 1.00 0.00 C ATOM 153 CE2 PHE A 691 62.181 1.871 -8.098 1.00 0.00 C ATOM 154 CZ PHE A 691 62.607 1.232 -6.929 1.00 0.00 C ATOM 0 H PHE A 691 58.876 2.042 -9.453 1.00 0.00 H new ATOM 0 HA PHE A 691 57.658 1.027 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 691 58.654 3.825 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.313 3.249 -6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 691 59.748 1.506 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 691 60.665 3.124 -8.975 1.00 0.00 H new ATOM 0 HE1 PHE A 691 62.071 0.642 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 691 62.810 1.868 -8.976 1.00 0.00 H new ATOM 0 HZ PHE A 691 63.604 0.820 -6.871 1.00 0.00 H new ATOM 164 N ALA A 692 56.032 3.080 -9.009 1.00 0.00 N ATOM 165 CA ALA A 692 54.753 3.748 -9.233 1.00 0.00 C ATOM 166 C ALA A 692 53.610 2.734 -9.253 1.00 0.00 C ATOM 167 O ALA A 692 52.458 3.082 -8.991 1.00 0.00 O ATOM 168 CB ALA A 692 54.791 4.505 -10.563 1.00 0.00 C ATOM 0 H ALA A 692 56.674 3.117 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 692 54.582 4.450 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 692 53.835 5.002 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.587 5.249 -10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.979 3.803 -11.376 1.00 0.00 H new ATOM 174 N GLU A 693 53.961 1.461 -9.428 1.00 0.00 N ATOM 175 CA GLU A 693 52.975 0.385 -9.359 1.00 0.00 C ATOM 176 C GLU A 693 52.586 0.094 -7.909 1.00 0.00 C ATOM 177 O GLU A 693 51.519 -0.461 -7.646 1.00 0.00 O ATOM 178 CB GLU A 693 53.545 -0.885 -10.004 1.00 0.00 C ATOM 179 CG GLU A 693 52.409 -1.696 -10.640 1.00 0.00 C ATOM 180 CD GLU A 693 52.193 -1.261 -12.089 1.00 0.00 C ATOM 181 OE1 GLU A 693 52.069 -0.069 -12.315 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 51.969 -2.131 -12.915 1.00 0.00 O ATOM 0 H GLU A 693 54.914 1.151 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 693 52.083 0.702 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 693 54.284 -0.620 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.059 -1.486 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 693 52.648 -2.759 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.490 -1.556 -10.070 1.00 0.00 H new ATOM 189 N ASP A 694 53.431 0.520 -6.972 1.00 0.00 N ATOM 190 CA ASP A 694 53.149 0.319 -5.551 1.00 0.00 C ATOM 191 C ASP A 694 52.152 1.368 -5.054 1.00 0.00 C ATOM 192 O ASP A 694 51.794 1.387 -3.875 1.00 0.00 O ATOM 193 CB ASP A 694 54.460 0.387 -4.746 1.00 0.00 C ATOM 194 CG ASP A 694 54.513 1.643 -3.872 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.621 2.724 -4.429 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 54.596 1.492 -2.664 1.00 0.00 O ATOM 0 H ASP A 694 54.308 1.002 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 694 52.703 -0.666 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 694 54.550 -0.499 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 694 55.309 0.381 -5.429 1.00 0.00 H new ATOM 201 N VAL A 695 51.560 2.093 -6.001 1.00 0.00 N ATOM 202 CA VAL A 695 50.366 2.886 -5.720 1.00 0.00 C ATOM 203 C VAL A 695 49.114 2.014 -5.784 1.00 0.00 C ATOM 204 O VAL A 695 48.166 2.219 -5.026 1.00 0.00 O ATOM 205 CB VAL A 695 50.251 4.030 -6.735 1.00 0.00 C ATOM 206 CG1 VAL A 695 48.992 4.851 -6.445 1.00 0.00 C ATOM 207 CG2 VAL A 695 51.483 4.933 -6.627 1.00 0.00 C ATOM 0 H VAL A 695 51.886 2.148 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 695 50.453 3.299 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 695 50.189 3.615 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 695 48.913 5.663 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 695 48.114 4.210 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 695 49.052 5.265 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 695 51.402 5.746 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 695 51.545 5.346 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 695 52.380 4.351 -6.836 1.00 0.00 H new ATOM 217 N GLY A 696 49.072 1.121 -6.772 1.00 0.00 N ATOM 218 CA GLY A 696 47.908 0.261 -6.966 1.00 0.00 C ATOM 219 C GLY A 696 46.726 1.056 -7.517 1.00 0.00 C ATOM 220 O GLY A 696 46.910 2.059 -8.209 1.00 0.00 O ATOM 0 H GLY A 696 49.825 0.975 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 696 48.159 -0.547 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.630 -0.201 -6.018 1.00 0.00 H new ATOM 224 N SER A 697 45.523 0.692 -7.076 1.00 0.00 N ATOM 225 CA SER A 697 44.299 1.158 -7.727 1.00 0.00 C ATOM 226 C SER A 697 43.068 0.737 -6.920 1.00 0.00 C ATOM 227 O SER A 697 42.814 1.276 -5.843 1.00 0.00 O ATOM 228 CB SER A 697 44.215 0.590 -9.149 1.00 0.00 C ATOM 229 OG SER A 697 43.029 1.053 -9.778 1.00 0.00 O ATOM 0 H SER A 697 45.369 0.079 -6.275 1.00 0.00 H new ATOM 0 HA SER A 697 44.324 2.247 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 697 45.088 0.896 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 697 44.220 -0.500 -9.117 1.00 0.00 H new ATOM 0 HG SER A 697 42.978 0.690 -10.687 1.00 0.00 H new ATOM 235 N ASN A 698 42.393 -0.319 -7.375 1.00 0.00 N ATOM 236 CA ASN A 698 41.099 -0.696 -6.811 1.00 0.00 C ATOM 237 C ASN A 698 41.281 -1.728 -5.701 1.00 0.00 C ATOM 238 O ASN A 698 42.364 -1.848 -5.126 1.00 0.00 O ATOM 239 CB ASN A 698 40.200 -1.273 -7.910 1.00 0.00 C ATOM 240 CG ASN A 698 40.220 -0.363 -9.136 1.00 0.00 C ATOM 241 OD1 ASN A 698 40.074 0.854 -9.012 1.00 0.00 O ATOM 242 ND2 ASN A 698 40.365 -0.886 -10.323 1.00 0.00 N ATOM 0 H ASN A 698 42.719 -0.925 -8.128 1.00 0.00 H new ATOM 0 HA ASN A 698 40.631 0.194 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 698 40.541 -2.271 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 698 39.180 -1.375 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 698 40.357 -0.287 -11.149 1.00 0.00 H new ATOM 0 HD22 ASN A 698 40.486 -1.894 -10.425 1.00 0.00 H new ATOM 249 N LYS A 699 40.199 -2.432 -5.365 1.00 0.00 N ATOM 250 CA LYS A 699 40.287 -3.566 -4.447 1.00 0.00 C ATOM 251 C LYS A 699 41.229 -4.633 -4.997 1.00 0.00 C ATOM 252 O LYS A 699 42.169 -5.041 -4.316 1.00 0.00 O ATOM 253 CB LYS A 699 38.901 -4.179 -4.211 1.00 0.00 C ATOM 254 CG LYS A 699 38.006 -3.953 -5.437 1.00 0.00 C ATOM 255 CD LYS A 699 36.823 -4.927 -5.399 1.00 0.00 C ATOM 256 CE LYS A 699 36.045 -4.747 -4.091 1.00 0.00 C ATOM 257 NZ LYS A 699 34.607 -5.066 -4.319 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.260 -2.239 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 699 40.681 -3.199 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.996 -5.247 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 699 38.443 -3.731 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 699 37.643 -2.925 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.581 -4.100 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 699 36.166 -4.750 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 699 37.182 -5.953 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 699 36.455 -5.399 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 699 36.149 -3.723 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 34.079 -4.944 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 34.220 -4.427 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 34.517 -6.050 -4.643 1.00 0.00 H new ATOM 271 N GLY A 700 41.102 -4.917 -6.291 1.00 0.00 N ATOM 272 CA GLY A 700 41.903 -5.964 -6.919 1.00 0.00 C ATOM 273 C GLY A 700 43.394 -5.661 -6.795 1.00 0.00 C ATOM 274 O GLY A 700 44.205 -6.576 -6.650 1.00 0.00 O ATOM 0 H GLY A 700 40.457 -4.441 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.683 -6.924 -6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.632 -6.052 -7.971 1.00 0.00 H new ATOM 278 N ALA A 701 43.709 -4.383 -6.596 1.00 0.00 N ATOM 279 CA ALA A 701 45.096 -3.934 -6.573 1.00 0.00 C ATOM 280 C ALA A 701 45.795 -4.385 -5.292 1.00 0.00 C ATOM 281 O ALA A 701 47.024 -4.358 -5.208 1.00 0.00 O ATOM 282 CB ALA A 701 45.152 -2.408 -6.672 1.00 0.00 C ATOM 0 H ALA A 701 43.023 -3.643 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 701 45.610 -4.377 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.191 -2.080 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.686 -2.086 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.619 -1.969 -5.829 1.00 0.00 H new ATOM 288 N ILE A 702 45.008 -4.788 -4.294 1.00 0.00 N ATOM 289 CA ILE A 702 45.572 -5.276 -3.037 1.00 0.00 C ATOM 290 C ILE A 702 46.556 -6.413 -3.296 1.00 0.00 C ATOM 291 O ILE A 702 47.610 -6.482 -2.668 1.00 0.00 O ATOM 292 CB ILE A 702 44.458 -5.768 -2.101 1.00 0.00 C ATOM 293 CG1 ILE A 702 43.647 -6.876 -2.790 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.534 -4.598 -1.741 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.047 -8.240 -2.218 1.00 0.00 C ATOM 0 H ILE A 702 43.989 -4.786 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 702 46.099 -4.449 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 702 44.906 -6.168 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 702 42.581 -6.706 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.825 -6.855 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 702 42.744 -4.949 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.110 -3.820 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 702 43.090 -4.192 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.470 -9.024 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.110 -8.410 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.846 -8.258 -1.147 1.00 0.00 H new ATOM 307 N ILE A 703 46.278 -7.200 -4.334 1.00 0.00 N ATOM 308 CA ILE A 703 47.120 -8.344 -4.664 1.00 0.00 C ATOM 309 C ILE A 703 48.461 -7.875 -5.220 1.00 0.00 C ATOM 310 O ILE A 703 49.511 -8.393 -4.836 1.00 0.00 O ATOM 311 CB ILE A 703 46.404 -9.236 -5.690 1.00 0.00 C ATOM 312 CG1 ILE A 703 47.002 -10.648 -5.651 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.567 -8.650 -7.098 1.00 0.00 C ATOM 314 CD1 ILE A 703 46.225 -11.508 -4.650 1.00 0.00 C ATOM 0 H ILE A 703 45.481 -7.066 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 703 47.305 -8.920 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 703 45.344 -9.282 -5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 703 46.960 -11.099 -6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 703 48.053 -10.601 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.057 -9.288 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.134 -7.650 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.626 -8.595 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 703 46.651 -12.511 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 703 46.290 -11.060 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.180 -11.566 -4.954 1.00 0.00 H new ATOM 326 N GLY A 704 48.431 -6.737 -5.910 1.00 0.00 N ATOM 327 CA GLY A 704 49.635 -6.184 -6.514 1.00 0.00 C ATOM 328 C GLY A 704 50.441 -5.393 -5.491 1.00 0.00 C ATOM 329 O GLY A 704 51.655 -5.569 -5.377 1.00 0.00 O ATOM 0 H GLY A 704 47.588 -6.183 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.246 -6.990 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.364 -5.537 -7.349 1.00 0.00 H new ATOM 333 N LEU A 705 49.732 -4.655 -4.639 1.00 0.00 N ATOM 334 CA LEU A 705 50.364 -4.000 -3.497 1.00 0.00 C ATOM 335 C LEU A 705 50.935 -5.031 -2.530 1.00 0.00 C ATOM 336 O LEU A 705 52.062 -4.889 -2.057 1.00 0.00 O ATOM 337 CB LEU A 705 49.345 -3.127 -2.763 1.00 0.00 C ATOM 338 CG LEU A 705 48.852 -2.009 -3.689 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.929 -1.073 -2.903 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.048 -1.217 -4.227 1.00 0.00 C ATOM 0 H LEU A 705 48.727 -4.497 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 705 51.178 -3.378 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.503 -3.735 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.798 -2.698 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 705 48.306 -2.445 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.576 -0.276 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.076 -1.636 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.477 -0.639 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.693 -0.424 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.599 -0.779 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.705 -1.884 -4.785 1.00 0.00 H new ATOM 352 N MET A 706 50.162 -6.082 -2.267 1.00 0.00 N ATOM 353 CA MET A 706 50.540 -7.074 -1.266 1.00 0.00 C ATOM 354 C MET A 706 51.842 -7.762 -1.664 1.00 0.00 C ATOM 355 O MET A 706 52.855 -7.626 -0.977 1.00 0.00 O ATOM 356 CB MET A 706 49.425 -8.119 -1.124 1.00 0.00 C ATOM 357 CG MET A 706 49.884 -9.246 -0.194 1.00 0.00 C ATOM 358 SD MET A 706 48.435 -10.057 0.531 1.00 0.00 S ATOM 359 CE MET A 706 49.330 -11.249 1.560 1.00 0.00 C ATOM 0 H MET A 706 49.273 -6.268 -2.732 1.00 0.00 H new ATOM 0 HA MET A 706 50.688 -6.569 -0.311 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.524 -7.651 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.168 -8.525 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.480 -9.970 -0.749 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.522 -8.845 0.594 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.617 -11.866 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.948 -11.885 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.964 -10.715 2.267 1.00 0.00 H new ATOM 369 N VAL A 707 51.862 -8.299 -2.882 1.00 0.00 N ATOM 370 CA VAL A 707 53.032 -9.021 -3.370 1.00 0.00 C ATOM 371 C VAL A 707 54.166 -8.049 -3.679 1.00 0.00 C ATOM 372 O VAL A 707 55.268 -8.191 -3.149 1.00 0.00 O ATOM 373 CB VAL A 707 52.671 -9.810 -4.635 1.00 0.00 C ATOM 374 CG1 VAL A 707 53.919 -10.519 -5.172 1.00 0.00 C ATOM 375 CG2 VAL A 707 51.595 -10.851 -4.306 1.00 0.00 C ATOM 0 H VAL A 707 51.087 -8.248 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 707 53.361 -9.713 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 707 52.290 -9.122 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 707 53.661 -11.079 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 707 54.683 -9.779 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.302 -11.204 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.341 -11.409 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.972 -11.537 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 707 50.705 -10.348 -3.929 1.00 0.00 H new ATOM 385 N GLY A 708 53.820 -6.945 -4.335 1.00 0.00 N ATOM 386 CA GLY A 708 54.810 -5.936 -4.699 1.00 0.00 C ATOM 387 C GLY A 708 55.229 -5.111 -3.485 1.00 0.00 C ATOM 388 O GLY A 708 56.120 -4.267 -3.581 1.00 0.00 O ATOM 0 H GLY A 708 52.867 -6.727 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.685 -6.421 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.398 -5.278 -5.465 1.00 0.00 H new ATOM 392 N GLY A 709 54.702 -5.475 -2.318 1.00 0.00 N ATOM 393 CA GLY A 709 55.109 -4.838 -1.070 1.00 0.00 C ATOM 394 C GLY A 709 56.348 -5.511 -0.486 1.00 0.00 C ATOM 395 O GLY A 709 56.683 -5.301 0.679 1.00 0.00 O ATOM 0 H GLY A 709 53.996 -6.204 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.315 -3.782 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.292 -4.887 -0.350 1.00 0.00 H new ATOM 399 N VAL A 710 57.084 -6.230 -1.332 1.00 0.00 N ATOM 400 CA VAL A 710 58.354 -6.822 -0.920 1.00 0.00 C ATOM 401 C VAL A 710 59.367 -5.734 -0.576 1.00 0.00 C ATOM 402 O VAL A 710 60.067 -5.822 0.433 1.00 0.00 O ATOM 403 CB VAL A 710 58.909 -7.706 -2.045 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.297 -8.227 -1.656 1.00 0.00 C ATOM 405 CG2 VAL A 710 57.966 -8.892 -2.283 1.00 0.00 C ATOM 0 H VAL A 710 56.824 -6.415 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 710 58.179 -7.431 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 710 58.987 -7.116 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.688 -8.854 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.969 -7.385 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.222 -8.813 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.363 -9.518 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.883 -9.480 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 710 56.981 -8.522 -2.567 1.00 0.00 H new ATOM 415 N VAL A 711 59.518 -4.770 -1.481 1.00 0.00 N ATOM 416 CA VAL A 711 60.475 -3.686 -1.282 1.00 0.00 C ATOM 417 C VAL A 711 60.019 -2.774 -0.146 1.00 0.00 C ATOM 418 O VAL A 711 60.764 -2.546 0.807 1.00 0.00 O ATOM 419 CB VAL A 711 60.615 -2.874 -2.575 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.559 -1.689 -2.343 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.184 -3.770 -3.679 1.00 0.00 C ATOM 0 H VAL A 711 58.993 -4.718 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 711 61.441 -4.116 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 711 59.636 -2.501 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.655 -1.115 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.155 -1.050 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.539 -2.058 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.284 -3.194 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.162 -4.144 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.511 -4.611 -3.848 1.00 0.00 H new ATOM 431 N ILE A 712 58.730 -2.450 -0.143 1.00 0.00 N ATOM 432 CA ILE A 712 58.186 -1.521 0.844 1.00 0.00 C ATOM 433 C ILE A 712 58.171 -2.164 2.229 1.00 0.00 C ATOM 434 O ILE A 712 58.344 -1.479 3.238 1.00 0.00 O ATOM 435 CB ILE A 712 56.759 -1.111 0.452 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.704 -0.769 -1.046 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.326 0.110 1.276 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.778 0.270 -1.391 1.00 0.00 C ATOM 0 H ILE A 712 58.046 -2.813 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 712 58.821 -0.635 0.871 1.00 0.00 H new ATOM 0 HB ILE A 712 56.083 -1.942 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.857 -1.671 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.718 -0.382 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.313 0.398 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.351 -0.139 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.006 0.940 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.729 0.504 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 712 57.606 1.177 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.763 -0.132 -1.153 1.00 0.00 H new ATOM 450 N ALA A 713 58.154 -3.495 2.255 1.00 0.00 N ATOM 451 CA ALA A 713 58.209 -4.230 3.516 1.00 0.00 C ATOM 452 C ALA A 713 59.526 -3.963 4.234 1.00 0.00 C ATOM 453 O ALA A 713 59.533 -3.477 5.365 1.00 0.00 O ATOM 454 CB ALA A 713 58.066 -5.731 3.254 1.00 0.00 C ATOM 0 H ALA A 713 58.103 -4.083 1.423 1.00 0.00 H new ATOM 0 HA ALA A 713 57.387 -3.891 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.108 -6.271 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.110 -5.926 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.877 -6.067 2.608 1.00 0.00 H new ATOM 460 N THR A 714 60.628 -4.110 3.503 1.00 0.00 N ATOM 461 CA THR A 714 61.953 -3.974 4.098 1.00 0.00 C ATOM 462 C THR A 714 62.185 -2.538 4.558 1.00 0.00 C ATOM 463 O THR A 714 62.727 -2.312 5.640 1.00 0.00 O ATOM 464 CB THR A 714 63.030 -4.366 3.081 1.00 0.00 C ATOM 465 OG1 THR A 714 62.909 -3.555 1.922 1.00 0.00 O ATOM 466 CG2 THR A 714 62.858 -5.838 2.692 1.00 0.00 C ATOM 0 H THR A 714 60.630 -4.322 2.505 1.00 0.00 H new ATOM 0 HA THR A 714 62.013 -4.637 4.961 1.00 0.00 H new ATOM 0 HB THR A 714 64.014 -4.220 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.029 -3.123 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.625 -6.115 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.954 -6.463 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.872 -5.985 2.250 1.00 0.00 H new ATOM 474 N VAL A 715 61.557 -1.598 3.855 1.00 0.00 N ATOM 475 CA VAL A 715 61.643 -0.189 4.223 1.00 0.00 C ATOM 476 C VAL A 715 60.942 0.063 5.557 1.00 0.00 C ATOM 477 O VAL A 715 61.416 0.847 6.377 1.00 0.00 O ATOM 478 CB VAL A 715 60.999 0.676 3.133 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.015 2.148 3.560 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.781 0.516 1.824 1.00 0.00 C ATOM 0 H VAL A 715 60.986 -1.786 3.031 1.00 0.00 H new ATOM 0 HA VAL A 715 62.695 0.077 4.324 1.00 0.00 H new ATOM 0 HB VAL A 715 59.968 0.356 2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.556 2.758 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.456 2.264 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.045 2.471 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.323 1.131 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.813 0.832 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.764 -0.529 1.515 1.00 0.00 H new ATOM 490 N ILE A 716 59.856 -0.668 5.797 1.00 0.00 N ATOM 491 CA ILE A 716 59.137 -0.561 7.064 1.00 0.00 C ATOM 492 C ILE A 716 59.875 -1.319 8.165 1.00 0.00 C ATOM 493 O ILE A 716 59.940 -0.859 9.306 1.00 0.00 O ATOM 494 CB ILE A 716 57.717 -1.121 6.908 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.909 -0.210 5.977 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.033 -1.186 8.280 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.686 -0.965 5.449 1.00 0.00 C ATOM 0 H ILE A 716 59.457 -1.336 5.137 1.00 0.00 H new ATOM 0 HA ILE A 716 59.081 0.491 7.343 1.00 0.00 H new ATOM 0 HB ILE A 716 57.769 -2.124 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.592 0.685 6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.531 0.120 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.025 -1.584 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.606 -1.835 8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.981 -0.185 8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.114 -0.314 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.013 -1.846 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.059 -1.273 6.286 1.00 0.00 H new ATOM 509 N VAL A 717 60.547 -2.403 7.784 1.00 0.00 N ATOM 510 CA VAL A 717 61.234 -3.248 8.756 1.00 0.00 C ATOM 511 C VAL A 717 62.370 -2.477 9.424 1.00 0.00 C ATOM 512 O VAL A 717 62.390 -2.335 10.646 1.00 0.00 O ATOM 513 CB VAL A 717 61.794 -4.498 8.062 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.682 -5.279 9.038 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.638 -5.391 7.597 1.00 0.00 C ATOM 0 H VAL A 717 60.630 -2.715 6.816 1.00 0.00 H new ATOM 0 HA VAL A 717 60.518 -3.551 9.520 1.00 0.00 H new ATOM 0 HB VAL A 717 62.387 -4.193 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 717 63.077 -6.165 8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.508 -4.647 9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 717 62.093 -5.581 9.904 1.00 0.00 H new ATOM 0 HG21 VAL A 717 61.038 -6.277 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 717 60.042 -5.692 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 717 60.011 -4.839 6.897 1.00 0.00 H new ATOM 525 N ILE A 718 63.172 -1.801 8.605 1.00 0.00 N ATOM 526 CA ILE A 718 64.305 -1.032 9.115 1.00 0.00 C ATOM 527 C ILE A 718 63.820 0.160 9.936 1.00 0.00 C ATOM 528 O ILE A 718 64.434 0.520 10.941 1.00 0.00 O ATOM 529 CB ILE A 718 65.176 -0.539 7.952 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.319 0.270 6.967 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.792 -1.742 7.230 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.217 0.912 5.906 1.00 0.00 C ATOM 0 H ILE A 718 63.060 -1.770 7.592 1.00 0.00 H new ATOM 0 HA ILE A 718 64.898 -1.682 9.758 1.00 0.00 H new ATOM 0 HB ILE A 718 65.971 0.098 8.341 1.00 0.00 H new ATOM 0 HG12 ILE A 718 63.585 -0.380 6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 718 63.764 1.041 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.411 -1.393 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 718 66.406 -2.310 7.929 1.00 0.00 H new ATOM 0 HG23 ILE A 718 64.997 -2.380 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 718 64.605 1.485 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 718 65.934 1.576 6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.752 0.133 5.363 1.00 0.00 H new ATOM 544 N THR A 719 62.636 0.662 9.594 1.00 0.00 N ATOM 545 CA THR A 719 62.025 1.749 10.352 1.00 0.00 C ATOM 546 C THR A 719 61.538 1.245 11.707 1.00 0.00 C ATOM 547 O THR A 719 61.784 1.877 12.734 1.00 0.00 O ATOM 548 CB THR A 719 60.848 2.337 9.567 1.00 0.00 C ATOM 549 OG1 THR A 719 61.275 2.674 8.257 1.00 0.00 O ATOM 550 CG2 THR A 719 60.330 3.595 10.273 1.00 0.00 C ATOM 0 H THR A 719 62.084 0.335 8.801 1.00 0.00 H new ATOM 0 HA THR A 719 62.774 2.524 10.513 1.00 0.00 H new ATOM 0 HB THR A 719 60.048 1.599 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.016 1.962 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.493 4.009 9.711 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.999 3.337 11.279 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.129 4.334 10.332 1.00 0.00 H new ATOM 558 N LEU A 720 61.040 0.012 11.722 1.00 0.00 N ATOM 559 CA LEU A 720 60.506 -0.574 12.947 1.00 0.00 C ATOM 560 C LEU A 720 61.638 -0.956 13.897 1.00 0.00 C ATOM 561 O LEU A 720 61.425 -1.095 15.102 1.00 0.00 O ATOM 562 CB LEU A 720 59.672 -1.817 12.613 1.00 0.00 C ATOM 563 CG LEU A 720 58.292 -1.705 13.272 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.455 -0.644 12.543 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.580 -3.061 13.201 1.00 0.00 C ATOM 0 H LEU A 720 60.995 -0.597 10.905 1.00 0.00 H new ATOM 0 HA LEU A 720 59.873 0.166 13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.563 -1.914 11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.182 -2.714 12.964 1.00 0.00 H new ATOM 0 HG LEU A 720 58.412 -1.413 14.315 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.475 -0.567 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.961 0.320 12.599 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.334 -0.931 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.599 -2.982 13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.462 -3.356 12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.173 -3.811 13.725 1.00 0.00 H new ATOM 577 N VAL A 721 62.819 -1.203 13.335 1.00 0.00 N ATOM 578 CA VAL A 721 63.974 -1.599 14.137 1.00 0.00 C ATOM 579 C VAL A 721 64.385 -0.472 15.081 1.00 0.00 C ATOM 580 O VAL A 721 64.544 -0.687 16.283 1.00 0.00 O ATOM 581 CB VAL A 721 65.150 -1.959 13.219 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.427 -2.121 14.050 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.848 -3.272 12.489 1.00 0.00 C ATOM 0 H VAL A 721 63.001 -1.137 12.334 1.00 0.00 H new ATOM 0 HA VAL A 721 63.699 -2.470 14.731 1.00 0.00 H new ATOM 0 HB VAL A 721 65.292 -1.161 12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 721 67.259 -2.377 13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.646 -1.186 14.566 1.00 0.00 H new ATOM 0 HG13 VAL A 721 66.286 -2.916 14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.684 -3.527 11.837 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.701 -4.068 13.219 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.944 -3.156 11.891 1.00 0.00 H new ATOM 593 N MET A 722 64.489 0.739 14.540 1.00 0.00 N ATOM 594 CA MET A 722 64.946 1.879 15.327 1.00 0.00 C ATOM 595 C MET A 722 63.795 2.457 16.144 1.00 0.00 C ATOM 596 O MET A 722 64.004 2.958 17.250 1.00 0.00 O ATOM 597 CB MET A 722 65.534 2.955 14.401 1.00 0.00 C ATOM 598 CG MET A 722 64.417 3.832 13.824 1.00 0.00 C ATOM 599 SD MET A 722 64.061 5.188 14.969 1.00 0.00 S ATOM 600 CE MET A 722 63.483 6.388 13.743 1.00 0.00 C ATOM 0 H MET A 722 64.265 0.955 13.569 1.00 0.00 H new ATOM 0 HA MET A 722 65.722 1.542 16.014 1.00 0.00 H new ATOM 0 HB2 MET A 722 66.241 3.573 14.954 1.00 0.00 H new ATOM 0 HB3 MET A 722 66.089 2.483 13.591 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.717 4.230 12.854 1.00 0.00 H new ATOM 0 HG3 MET A 722 63.520 3.235 13.660 1.00 0.00 H new ATOM 0 HE1 MET A 722 63.206 7.316 14.244 1.00 0.00 H new ATOM 0 HE2 MET A 722 64.279 6.587 13.025 1.00 0.00 H new ATOM 0 HE3 MET A 722 62.615 5.985 13.221 1.00 0.00 H new ATOM 610 N LEU A 723 62.571 2.205 15.685 1.00 0.00 N ATOM 611 CA LEU A 723 61.384 2.614 16.426 1.00 0.00 C ATOM 612 C LEU A 723 60.960 1.525 17.411 1.00 0.00 C ATOM 613 O LEU A 723 59.962 1.675 18.118 1.00 0.00 O ATOM 614 CB LEU A 723 60.232 2.903 15.456 1.00 0.00 C ATOM 615 CG LEU A 723 60.550 4.148 14.614 1.00 0.00 C ATOM 616 CD1 LEU A 723 59.487 4.303 13.522 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.548 5.395 15.505 1.00 0.00 C ATOM 0 H LEU A 723 62.377 1.722 14.808 1.00 0.00 H new ATOM 0 HA LEU A 723 61.625 3.519 16.984 1.00 0.00 H new ATOM 0 HB2 LEU A 723 60.072 2.045 14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.308 3.057 16.013 1.00 0.00 H new ATOM 0 HG LEU A 723 61.534 4.034 14.160 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.708 5.185 12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.490 3.420 12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.506 4.414 13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.774 6.274 14.901 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.566 5.513 15.964 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.302 5.286 16.285 1.00 0.00 H new ATOM 629 N LYS A 724 61.755 0.455 17.493 1.00 0.00 N ATOM 630 CA LYS A 724 61.349 -0.735 18.240 1.00 0.00 C ATOM 631 C LYS A 724 61.190 -0.408 19.725 1.00 0.00 C ATOM 632 O LYS A 724 60.070 -0.264 20.218 1.00 0.00 O ATOM 633 CB LYS A 724 62.389 -1.854 18.063 1.00 0.00 C ATOM 634 CG LYS A 724 62.025 -3.051 18.955 1.00 0.00 C ATOM 635 CD LYS A 724 62.369 -4.362 18.236 1.00 0.00 C ATOM 636 CE LYS A 724 62.236 -5.534 19.214 1.00 0.00 C ATOM 637 NZ LYS A 724 63.279 -5.418 20.272 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.674 0.389 17.056 1.00 0.00 H new ATOM 0 HA LYS A 724 60.389 -1.074 17.850 1.00 0.00 H new ATOM 0 HB2 LYS A 724 62.427 -2.165 17.019 1.00 0.00 H new ATOM 0 HB3 LYS A 724 63.381 -1.485 18.322 1.00 0.00 H new ATOM 0 HG2 LYS A 724 62.567 -2.991 19.899 1.00 0.00 H new ATOM 0 HG3 LYS A 724 60.962 -3.026 19.196 1.00 0.00 H new ATOM 0 HD2 LYS A 724 61.703 -4.508 17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 724 63.384 -4.317 17.842 1.00 0.00 H new ATOM 0 HE2 LYS A 724 61.244 -5.535 19.665 1.00 0.00 H new ATOM 0 HE3 LYS A 724 62.345 -6.479 18.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 63.493 -6.362 20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 64.142 -5.005 19.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 62.930 -4.807 21.038 1.00 0.00 H new ATOM 651 N LYS A 725 62.318 -0.266 20.421 1.00 0.00 N ATOM 652 CA LYS A 725 62.304 0.115 21.833 1.00 0.00 C ATOM 653 C LYS A 725 61.397 -0.812 22.640 1.00 0.00 C ATOM 654 O LYS A 725 61.066 -1.909 22.188 1.00 0.00 O ATOM 655 CB LYS A 725 61.825 1.564 21.978 1.00 0.00 C ATOM 656 CG LYS A 725 62.894 2.516 21.427 1.00 0.00 C ATOM 657 CD LYS A 725 63.684 3.132 22.587 1.00 0.00 C ATOM 658 CE LYS A 725 64.937 3.825 22.045 1.00 0.00 C ATOM 659 NZ LYS A 725 64.548 4.799 20.986 1.00 0.00 N1+ ATOM 0 H LYS A 725 63.250 -0.409 20.032 1.00 0.00 H new ATOM 0 HA LYS A 725 63.319 0.027 22.221 1.00 0.00 H new ATOM 0 HB2 LYS A 725 60.887 1.703 21.440 1.00 0.00 H new ATOM 0 HB3 LYS A 725 61.628 1.790 23.026 1.00 0.00 H new ATOM 0 HG2 LYS A 725 63.568 1.976 20.762 1.00 0.00 H new ATOM 0 HG3 LYS A 725 62.425 3.302 20.836 1.00 0.00 H new ATOM 0 HD2 LYS A 725 63.063 3.849 23.123 1.00 0.00 H new ATOM 0 HD3 LYS A 725 63.965 2.358 23.301 1.00 0.00 H new ATOM 0 HE2 LYS A 725 65.459 4.339 22.852 1.00 0.00 H new ATOM 0 HE3 LYS A 725 65.627 3.086 21.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 65.337 5.454 20.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 64.321 4.287 20.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 63.715 5.337 21.299 1.00 0.00 H new ATOM 673 N LYS A 726 61.209 -0.472 23.912 1.00 0.00 N ATOM 674 CA LYS A 726 60.326 -1.241 24.783 1.00 0.00 C ATOM 675 C LYS A 726 59.008 -0.501 25.002 1.00 0.00 C ATOM 676 O LYS A 726 58.872 0.667 24.634 1.00 0.00 O ATOM 677 CB LYS A 726 61.008 -1.486 26.131 1.00 0.00 C ATOM 678 CG LYS A 726 62.391 -2.107 25.901 1.00 0.00 C ATOM 679 CD LYS A 726 62.726 -3.068 27.047 1.00 0.00 C ATOM 680 CE LYS A 726 62.730 -2.306 28.378 1.00 0.00 C ATOM 681 NZ LYS A 726 63.831 -2.816 29.242 1.00 0.00 N1+ ATOM 0 H LYS A 726 61.655 0.328 24.361 1.00 0.00 H new ATOM 0 HA LYS A 726 60.115 -2.197 24.303 1.00 0.00 H new ATOM 0 HB2 LYS A 726 61.106 -0.548 26.677 1.00 0.00 H new ATOM 0 HB3 LYS A 726 60.398 -2.149 26.744 1.00 0.00 H new ATOM 0 HG2 LYS A 726 62.407 -2.640 24.951 1.00 0.00 H new ATOM 0 HG3 LYS A 726 63.146 -1.323 25.839 1.00 0.00 H new ATOM 0 HD2 LYS A 726 61.995 -3.876 27.082 1.00 0.00 H new ATOM 0 HD3 LYS A 726 63.700 -3.526 26.877 1.00 0.00 H new ATOM 0 HE2 LYS A 726 62.860 -1.239 28.197 1.00 0.00 H new ATOM 0 HE3 LYS A 726 61.772 -2.429 28.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 63.833 -2.298 30.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 63.688 -3.830 29.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 64.743 -2.676 28.761 1.00 0.00 H new ATOM 695 N GLN A 727 58.047 -1.187 25.615 1.00 0.00 N ATOM 696 CA GLN A 727 56.752 -0.584 25.914 1.00 0.00 C ATOM 697 C GLN A 727 56.873 0.401 27.076 1.00 0.00 C ATOM 698 O GLN A 727 57.625 0.163 28.023 1.00 0.00 O ATOM 699 CB GLN A 727 55.743 -1.678 26.272 1.00 0.00 C ATOM 700 CG GLN A 727 55.444 -2.528 25.031 1.00 0.00 C ATOM 701 CD GLN A 727 55.154 -3.972 25.435 1.00 0.00 C ATOM 702 OE1 GLN A 727 54.592 -4.220 26.502 1.00 0.00 O ATOM 703 NE2 GLN A 727 55.455 -4.942 24.613 1.00 0.00 N ATOM 0 H GLN A 727 58.140 -2.158 25.913 1.00 0.00 H new ATOM 0 HA GLN A 727 56.409 -0.044 25.032 1.00 0.00 H new ATOM 0 HB2 GLN A 727 56.140 -2.307 27.069 1.00 0.00 H new ATOM 0 HB3 GLN A 727 54.823 -1.230 26.648 1.00 0.00 H new ATOM 0 HG2 GLN A 727 54.589 -2.114 24.496 1.00 0.00 H new ATOM 0 HG3 GLN A 727 56.293 -2.498 24.348 1.00 0.00 H new ATOM 0 HE21 GLN A 727 55.921 -4.736 23.729 1.00 0.00 H new ATOM 0 HE22 GLN A 727 55.224 -5.906 24.855 1.00 0.00 H new ATOM 712 N TYR A 728 56.187 1.539 26.956 1.00 0.00 N ATOM 713 CA TYR A 728 56.203 2.558 28.006 1.00 0.00 C ATOM 714 C TYR A 728 57.620 3.083 28.232 1.00 0.00 C ATOM 715 O TYR A 728 58.475 2.999 27.350 1.00 0.00 O ATOM 716 CB TYR A 728 55.655 1.977 29.316 1.00 0.00 C ATOM 717 CG TYR A 728 55.233 3.102 30.235 1.00 0.00 C ATOM 718 CD1 TYR A 728 53.996 3.732 30.049 1.00 0.00 C ATOM 719 CD2 TYR A 728 56.059 3.485 31.300 1.00 0.00 C ATOM 720 CE1 TYR A 728 53.614 4.786 30.888 1.00 0.00 C ATOM 721 CE2 TYR A 728 55.658 4.513 32.161 1.00 0.00 C ATOM 722 CZ TYR A 728 54.455 5.189 31.932 1.00 0.00 C ATOM 723 OH TYR A 728 54.052 6.190 32.793 1.00 0.00 O ATOM 0 H TYR A 728 55.616 1.777 26.145 1.00 0.00 H new ATOM 0 HA TYR A 728 55.570 3.385 27.685 1.00 0.00 H new ATOM 0 HB2 TYR A 728 54.806 1.325 29.109 1.00 0.00 H new ATOM 0 HB3 TYR A 728 56.416 1.365 29.800 1.00 0.00 H new ATOM 0 HD1 TYR A 728 53.337 3.405 29.259 1.00 0.00 H new ATOM 0 HD2 TYR A 728 57.005 2.987 31.456 1.00 0.00 H new ATOM 0 HE1 TYR A 728 52.671 5.288 30.730 1.00 0.00 H new ATOM 0 HE2 TYR A 728 56.278 4.784 33.003 1.00 0.00 H new ATOM 0 HH TYR A 728 54.751 6.348 33.461 1.00 0.00 H new TER 733 TYR A 728