USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=9 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 684 HIS : no HE2:sc= -0.655 K(o=-0.45,f=-11!) USER MOD Set 1.2: A 685 HIS : no HD1:sc= 0.204 K(o=-0.45,f=-6.1!) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 687 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.38) USER MOD Single : A 697 SER OG : rot 180:sc= -0.0946 USER MOD Single : A 698 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl -157:sc= -0.0139 (180deg=-0.362) USER MOD Single : A 714 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 719 THR OG1 : rot 77:sc= 0.991 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.203) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.138) USER MOD Single : A 727 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.2) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 53.654 12.317 -19.911 1.00 0.00 N ATOM 2 CA VAL A 683 53.502 12.542 -18.477 1.00 0.00 C ATOM 3 C VAL A 683 54.432 13.658 -18.007 1.00 0.00 C ATOM 4 O VAL A 683 55.279 14.134 -18.766 1.00 0.00 O ATOM 5 CB VAL A 683 53.812 11.253 -17.705 1.00 0.00 C ATOM 6 CG1 VAL A 683 52.841 10.148 -18.138 1.00 0.00 C ATOM 7 CG2 VAL A 683 55.254 10.811 -17.989 1.00 0.00 C ATOM 0 HA VAL A 683 52.471 12.839 -18.284 1.00 0.00 H new ATOM 0 HB VAL A 683 53.697 11.438 -16.637 1.00 0.00 H new ATOM 0 HG11 VAL A 683 53.063 9.233 -17.589 1.00 0.00 H new ATOM 0 HG12 VAL A 683 51.818 10.459 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 683 52.951 9.965 -19.207 1.00 0.00 H new ATOM 0 HG21 VAL A 683 55.469 9.895 -17.438 1.00 0.00 H new ATOM 0 HG22 VAL A 683 55.375 10.629 -19.057 1.00 0.00 H new ATOM 0 HG23 VAL A 683 55.943 11.594 -17.674 1.00 0.00 H new ATOM 16 N HIS A 684 54.228 14.112 -16.773 1.00 0.00 N ATOM 17 CA HIS A 684 55.050 15.180 -16.210 1.00 0.00 C ATOM 18 C HIS A 684 55.207 14.999 -14.701 1.00 0.00 C ATOM 19 O HIS A 684 54.785 13.985 -14.142 1.00 0.00 O ATOM 20 CB HIS A 684 54.409 16.541 -16.507 1.00 0.00 C ATOM 21 CG HIS A 684 53.036 16.601 -15.892 1.00 0.00 C ATOM 22 ND1 HIS A 684 52.848 16.757 -14.529 1.00 0.00 N ATOM 23 CD2 HIS A 684 51.782 16.679 -16.448 1.00 0.00 C ATOM 24 CE1 HIS A 684 51.529 16.651 -14.298 1.00 0.00 C ATOM 25 NE2 HIS A 684 50.830 16.728 -15.432 1.00 0.00 N ATOM 0 H HIS A 684 53.504 13.759 -16.146 1.00 0.00 H new ATOM 0 HA HIS A 684 56.038 15.137 -16.669 1.00 0.00 H new ATOM 0 HB2 HIS A 684 55.032 17.342 -16.108 1.00 0.00 H new ATOM 0 HB3 HIS A 684 54.343 16.695 -17.584 1.00 0.00 H new ATOM 0 HD1 HIS A 684 53.574 16.921 -13.832 1.00 0.00 H new ATOM 0 HD2 HIS A 684 51.568 16.699 -17.506 1.00 0.00 H new ATOM 0 HE1 HIS A 684 51.090 16.520 -13.320 1.00 0.00 H new ATOM 33 N HIS A 685 55.822 15.989 -14.052 1.00 0.00 N ATOM 34 CA HIS A 685 56.078 15.925 -12.612 1.00 0.00 C ATOM 35 C HIS A 685 56.941 14.712 -12.269 1.00 0.00 C ATOM 36 O HIS A 685 56.422 13.623 -12.019 1.00 0.00 O ATOM 37 CB HIS A 685 54.754 15.859 -11.838 1.00 0.00 C ATOM 38 CG HIS A 685 54.246 17.252 -11.588 1.00 0.00 C ATOM 39 ND1 HIS A 685 54.207 18.214 -12.586 1.00 0.00 N ATOM 40 CD2 HIS A 685 53.654 17.831 -10.493 1.00 0.00 C ATOM 41 CE1 HIS A 685 53.793 19.362 -12.022 1.00 0.00 C ATOM 42 NE2 HIS A 685 53.397 19.174 -10.760 1.00 0.00 N ATOM 0 H HIS A 685 56.152 16.844 -14.500 1.00 0.00 H new ATOM 0 HA HIS A 685 56.616 16.828 -12.322 1.00 0.00 H new ATOM 0 HB2 HIS A 685 54.018 15.289 -12.405 1.00 0.00 H new ATOM 0 HB3 HIS A 685 54.900 15.339 -10.891 1.00 0.00 H new ATOM 0 HD2 HIS A 685 53.423 17.324 -9.568 1.00 0.00 H new ATOM 0 HE1 HIS A 685 53.782 20.317 -12.526 1.00 0.00 H new ATOM 0 HE2 HIS A 685 52.993 19.865 -10.128 1.00 0.00 H new ATOM 50 N GLN A 686 58.228 14.965 -12.035 1.00 0.00 N ATOM 51 CA GLN A 686 59.202 13.884 -11.908 1.00 0.00 C ATOM 52 C GLN A 686 58.948 13.084 -10.635 1.00 0.00 C ATOM 53 O GLN A 686 58.499 11.939 -10.689 1.00 0.00 O ATOM 54 CB GLN A 686 60.622 14.461 -11.867 1.00 0.00 C ATOM 55 CG GLN A 686 60.995 15.025 -13.241 1.00 0.00 C ATOM 56 CD GLN A 686 61.900 16.244 -13.078 1.00 0.00 C ATOM 57 OE1 GLN A 686 61.512 17.357 -13.431 1.00 0.00 O ATOM 58 NE2 GLN A 686 63.062 16.109 -12.497 1.00 0.00 N ATOM 0 H GLN A 686 58.618 15.902 -11.930 1.00 0.00 H new ATOM 0 HA GLN A 686 59.099 13.225 -12.770 1.00 0.00 H new ATOM 0 HB2 GLN A 686 60.683 15.246 -11.113 1.00 0.00 H new ATOM 0 HB3 GLN A 686 61.331 13.685 -11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 686 61.502 14.262 -13.831 1.00 0.00 H new ATOM 0 HG3 GLN A 686 60.093 15.302 -13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 686 63.382 15.186 -12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 686 63.649 16.927 -12.335 1.00 0.00 H new ATOM 67 N LYS A 687 59.181 13.723 -9.492 1.00 0.00 N ATOM 68 CA LYS A 687 58.824 13.135 -8.206 1.00 0.00 C ATOM 69 C LYS A 687 57.360 13.420 -7.879 1.00 0.00 C ATOM 70 O LYS A 687 56.530 13.533 -8.783 1.00 0.00 O ATOM 71 CB LYS A 687 59.724 13.710 -7.106 1.00 0.00 C ATOM 72 CG LYS A 687 61.178 13.713 -7.590 1.00 0.00 C ATOM 73 CD LYS A 687 62.124 13.815 -6.390 1.00 0.00 C ATOM 74 CE LYS A 687 63.442 14.458 -6.834 1.00 0.00 C ATOM 75 NZ LYS A 687 63.979 13.726 -8.017 1.00 0.00 N1+ ATOM 0 H LYS A 687 59.614 14.645 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 687 58.966 12.056 -8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 687 59.410 14.723 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 687 59.632 13.115 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 687 61.386 12.802 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 687 61.344 14.551 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 687 61.665 14.409 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 687 62.311 12.824 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 687 63.281 15.507 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 687 64.165 14.432 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 64.993 13.933 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 63.847 12.703 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 63.472 14.030 -8.873 1.00 0.00 H new ATOM 89 N LEU A 688 57.027 13.374 -6.589 1.00 0.00 N ATOM 90 CA LEU A 688 55.659 13.635 -6.138 1.00 0.00 C ATOM 91 C LEU A 688 54.731 12.489 -6.539 1.00 0.00 C ATOM 92 O LEU A 688 53.593 12.414 -6.070 1.00 0.00 O ATOM 93 CB LEU A 688 55.134 14.953 -6.733 1.00 0.00 C ATOM 94 CG LEU A 688 56.210 16.044 -6.641 1.00 0.00 C ATOM 95 CD1 LEU A 688 55.649 17.360 -7.189 1.00 0.00 C ATOM 96 CD2 LEU A 688 56.630 16.238 -5.180 1.00 0.00 C ATOM 0 H LEU A 688 57.684 13.159 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 688 55.675 13.716 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 688 54.848 14.802 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 688 54.238 15.270 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 688 57.078 15.743 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 688 56.412 18.136 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 688 55.356 17.225 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 688 54.779 17.657 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 688 57.394 17.013 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 688 55.764 16.536 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 688 57.031 15.303 -4.790 1.00 0.00 H new ATOM 108 N VAL A 689 55.288 11.507 -7.244 1.00 0.00 N ATOM 109 CA VAL A 689 54.526 10.328 -7.640 1.00 0.00 C ATOM 110 C VAL A 689 54.250 9.438 -6.429 1.00 0.00 C ATOM 111 O VAL A 689 53.291 8.664 -6.425 1.00 0.00 O ATOM 112 CB VAL A 689 55.306 9.537 -8.698 1.00 0.00 C ATOM 113 CG1 VAL A 689 54.586 8.216 -8.994 1.00 0.00 C ATOM 114 CG2 VAL A 689 55.406 10.362 -9.985 1.00 0.00 C ATOM 0 H VAL A 689 56.261 11.505 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 689 53.574 10.653 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 689 56.307 9.326 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 689 55.144 7.658 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 689 54.518 7.626 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 689 53.583 8.424 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 689 55.960 9.799 -10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 689 54.405 10.577 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.924 11.298 -9.778 1.00 0.00 H new ATOM 124 N PHE A 690 55.001 9.669 -5.356 1.00 0.00 N ATOM 125 CA PHE A 690 54.833 8.902 -4.126 1.00 0.00 C ATOM 126 C PHE A 690 53.407 9.030 -3.602 1.00 0.00 C ATOM 127 O PHE A 690 52.705 8.030 -3.440 1.00 0.00 O ATOM 128 CB PHE A 690 55.818 9.408 -3.065 1.00 0.00 C ATOM 129 CG PHE A 690 56.875 8.359 -2.811 1.00 0.00 C ATOM 130 CD1 PHE A 690 57.937 8.202 -3.711 1.00 0.00 C ATOM 131 CD2 PHE A 690 56.826 7.587 -1.644 1.00 0.00 C ATOM 132 CE1 PHE A 690 58.925 7.242 -3.466 1.00 0.00 C ATOM 133 CE2 PHE A 690 57.834 6.652 -1.383 1.00 0.00 C ATOM 134 CZ PHE A 690 58.873 6.465 -2.303 1.00 0.00 C ATOM 0 H PHE A 690 55.731 10.380 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 690 55.032 7.852 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 690 56.284 10.334 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 690 55.287 9.635 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 690 57.993 8.822 -4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 690 56.011 7.713 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 690 59.728 7.101 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 690 57.811 6.074 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 690 59.634 5.722 -2.115 1.00 0.00 H new ATOM 144 N PHE A 691 52.932 10.270 -3.507 1.00 0.00 N ATOM 145 CA PHE A 691 51.577 10.528 -3.033 1.00 0.00 C ATOM 146 C PHE A 691 50.567 10.361 -4.167 1.00 0.00 C ATOM 147 O PHE A 691 49.435 9.940 -3.933 1.00 0.00 O ATOM 148 CB PHE A 691 51.487 11.949 -2.465 1.00 0.00 C ATOM 149 CG PHE A 691 51.619 11.901 -0.958 1.00 0.00 C ATOM 150 CD1 PHE A 691 52.888 11.827 -0.368 1.00 0.00 C ATOM 151 CD2 PHE A 691 50.471 11.816 -0.158 1.00 0.00 C ATOM 152 CE1 PHE A 691 53.007 11.750 1.025 1.00 0.00 C ATOM 153 CE2 PHE A 691 50.592 11.779 1.236 1.00 0.00 C ATOM 154 CZ PHE A 691 51.859 11.774 1.828 1.00 0.00 C ATOM 0 H PHE A 691 53.463 11.106 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 691 51.342 9.808 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 691 52.274 12.572 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 691 50.536 12.403 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 691 53.773 11.829 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 691 49.494 11.779 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 691 53.983 11.672 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 691 49.707 11.754 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 691 51.953 11.789 2.904 1.00 0.00 H new ATOM 164 N ALA A 692 51.051 10.468 -5.403 1.00 0.00 N ATOM 165 CA ALA A 692 50.190 10.284 -6.568 1.00 0.00 C ATOM 166 C ALA A 692 49.867 8.804 -6.778 1.00 0.00 C ATOM 167 O ALA A 692 49.003 8.463 -7.586 1.00 0.00 O ATOM 168 CB ALA A 692 50.876 10.844 -7.819 1.00 0.00 C ATOM 0 H ALA A 692 52.025 10.679 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 692 49.258 10.821 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 692 50.227 10.703 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 692 51.071 11.908 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 692 51.818 10.320 -7.983 1.00 0.00 H new ATOM 174 N GLU A 693 50.420 7.955 -5.913 1.00 0.00 N ATOM 175 CA GLU A 693 50.073 6.537 -5.911 1.00 0.00 C ATOM 176 C GLU A 693 48.660 6.324 -5.372 1.00 0.00 C ATOM 177 O GLU A 693 48.051 5.277 -5.601 1.00 0.00 O ATOM 178 CB GLU A 693 51.071 5.761 -5.048 1.00 0.00 C ATOM 179 CG GLU A 693 51.188 4.322 -5.561 1.00 0.00 C ATOM 180 CD GLU A 693 51.960 3.466 -4.557 1.00 0.00 C ATOM 181 OE1 GLU A 693 52.942 3.957 -4.023 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 51.676 2.280 -4.489 1.00 0.00 O ATOM 0 H GLU A 693 51.107 8.224 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 693 50.113 6.173 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 693 52.046 6.248 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 693 50.744 5.761 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 693 50.194 3.903 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 693 51.696 4.312 -6.525 1.00 0.00 H new ATOM 189 N ASP A 694 48.111 7.358 -4.739 1.00 0.00 N ATOM 190 CA ASP A 694 46.776 7.266 -4.153 1.00 0.00 C ATOM 191 C ASP A 694 45.719 7.082 -5.241 1.00 0.00 C ATOM 192 O ASP A 694 44.612 6.614 -4.967 1.00 0.00 O ATOM 193 CB ASP A 694 46.471 8.535 -3.351 1.00 0.00 C ATOM 194 CG ASP A 694 47.277 8.545 -2.054 1.00 0.00 C ATOM 195 OD1 ASP A 694 47.091 7.633 -1.264 1.00 0.00 O1- ATOM 196 OD2 ASP A 694 47.895 9.559 -1.778 1.00 0.00 O ATOM 0 H ASP A 694 48.566 8.263 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 694 46.750 6.400 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 694 46.713 9.416 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 694 45.406 8.585 -3.126 1.00 0.00 H new ATOM 201 N VAL A 695 46.100 7.368 -6.485 1.00 0.00 N ATOM 202 CA VAL A 695 45.222 7.121 -7.627 1.00 0.00 C ATOM 203 C VAL A 695 44.807 5.653 -7.679 1.00 0.00 C ATOM 204 O VAL A 695 43.622 5.341 -7.803 1.00 0.00 O ATOM 205 CB VAL A 695 45.941 7.502 -8.929 1.00 0.00 C ATOM 206 CG1 VAL A 695 45.094 7.077 -10.135 1.00 0.00 C ATOM 207 CG2 VAL A 695 46.156 9.019 -8.970 1.00 0.00 C ATOM 0 H VAL A 695 47.006 7.769 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 695 44.327 7.733 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 695 46.904 6.994 -8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 695 45.609 7.350 -11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 695 44.942 5.998 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 695 44.128 7.581 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 695 46.666 9.289 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 695 45.191 9.525 -8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 695 46.763 9.324 -8.118 1.00 0.00 H new ATOM 217 N GLY A 696 45.759 4.768 -7.401 1.00 0.00 N ATOM 218 CA GLY A 696 45.498 3.335 -7.459 1.00 0.00 C ATOM 219 C GLY A 696 44.869 2.846 -6.159 1.00 0.00 C ATOM 220 O GLY A 696 45.400 3.099 -5.075 1.00 0.00 O ATOM 0 H GLY A 696 46.712 5.016 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 696 44.834 3.115 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 696 46.429 2.798 -7.642 1.00 0.00 H new ATOM 224 N SER A 697 43.652 2.311 -6.263 1.00 0.00 N ATOM 225 CA SER A 697 42.945 1.791 -5.095 1.00 0.00 C ATOM 226 C SER A 697 41.915 0.745 -5.515 1.00 0.00 C ATOM 227 O SER A 697 40.909 1.074 -6.146 1.00 0.00 O ATOM 228 CB SER A 697 42.242 2.936 -4.353 1.00 0.00 C ATOM 229 OG SER A 697 42.540 4.170 -4.987 1.00 0.00 O ATOM 0 H SER A 697 43.138 2.227 -7.140 1.00 0.00 H new ATOM 0 HA SER A 697 43.673 1.323 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 697 41.165 2.770 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 697 42.567 2.962 -3.313 1.00 0.00 H new ATOM 0 HG SER A 697 42.089 4.899 -4.512 1.00 0.00 H new ATOM 235 N ASN A 698 42.213 -0.522 -5.230 1.00 0.00 N ATOM 236 CA ASN A 698 41.263 -1.603 -5.488 1.00 0.00 C ATOM 237 C ASN A 698 41.675 -2.870 -4.741 1.00 0.00 C ATOM 238 O ASN A 698 42.825 -3.298 -4.840 1.00 0.00 O ATOM 239 CB ASN A 698 41.197 -1.898 -6.991 1.00 0.00 C ATOM 240 CG ASN A 698 39.829 -1.508 -7.541 1.00 0.00 C ATOM 241 OD1 ASN A 698 38.855 -2.238 -7.359 1.00 0.00 O ATOM 242 ND2 ASN A 698 39.698 -0.395 -8.208 1.00 0.00 N ATOM 0 H ASN A 698 43.098 -0.824 -4.823 1.00 0.00 H new ATOM 0 HA ASN A 698 40.281 -1.287 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.979 -1.346 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.381 -2.957 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 698 38.787 -0.128 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 698 40.507 0.208 -8.357 1.00 0.00 H new ATOM 249 N LYS A 699 40.678 -3.601 -4.241 1.00 0.00 N ATOM 250 CA LYS A 699 40.937 -4.838 -3.504 1.00 0.00 C ATOM 251 C LYS A 699 41.612 -5.870 -4.404 1.00 0.00 C ATOM 252 O LYS A 699 42.571 -6.525 -3.994 1.00 0.00 O ATOM 253 CB LYS A 699 39.624 -5.412 -2.961 1.00 0.00 C ATOM 254 CG LYS A 699 39.282 -4.746 -1.623 1.00 0.00 C ATOM 255 CD LYS A 699 39.838 -5.588 -0.470 1.00 0.00 C ATOM 256 CE LYS A 699 39.875 -4.744 0.809 1.00 0.00 C ATOM 257 NZ LYS A 699 39.780 -5.635 1.999 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.691 -3.360 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 699 41.603 -4.607 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.819 -5.245 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.715 -6.490 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.703 -3.741 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 699 38.202 -4.643 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 699 39.217 -6.471 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 699 40.840 -5.941 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 699 40.798 -4.165 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 699 39.051 -4.030 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 39.805 -5.061 2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 38.888 -6.168 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 40.580 -6.299 2.000 1.00 0.00 H new ATOM 271 N GLY A 700 41.223 -5.878 -5.676 1.00 0.00 N ATOM 272 CA GLY A 700 41.857 -6.756 -6.654 1.00 0.00 C ATOM 273 C GLY A 700 43.318 -6.370 -6.863 1.00 0.00 C ATOM 274 O GLY A 700 44.217 -7.187 -6.654 1.00 0.00 O ATOM 0 H GLY A 700 40.478 -5.291 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.794 -7.790 -6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.322 -6.698 -7.602 1.00 0.00 H new ATOM 278 N ALA A 701 43.552 -5.075 -7.062 1.00 0.00 N ATOM 279 CA ALA A 701 44.904 -4.575 -7.286 1.00 0.00 C ATOM 280 C ALA A 701 45.762 -4.767 -6.039 1.00 0.00 C ATOM 281 O ALA A 701 46.893 -5.239 -6.131 1.00 0.00 O ATOM 282 CB ALA A 701 44.855 -3.089 -7.655 1.00 0.00 C ATOM 0 H ALA A 701 42.827 -4.357 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 701 45.349 -5.138 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.868 -2.722 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.268 -2.959 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.394 -2.527 -6.843 1.00 0.00 H new ATOM 288 N ILE A 702 45.142 -4.600 -4.873 1.00 0.00 N ATOM 289 CA ILE A 702 45.873 -4.633 -3.608 1.00 0.00 C ATOM 290 C ILE A 702 46.586 -5.973 -3.433 1.00 0.00 C ATOM 291 O ILE A 702 47.737 -6.015 -2.997 1.00 0.00 O ATOM 292 CB ILE A 702 44.899 -4.398 -2.442 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.596 -2.898 -2.326 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.520 -4.892 -1.130 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.298 -2.688 -1.541 1.00 0.00 C ATOM 0 H ILE A 702 44.139 -4.441 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 702 46.624 -3.843 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 702 43.977 -4.948 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.420 -2.389 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.506 -2.458 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.822 -4.721 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.735 -5.958 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.445 -4.349 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.089 -1.621 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.476 -3.182 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.404 -3.111 -0.542 1.00 0.00 H new ATOM 307 N ILE A 703 45.975 -7.030 -3.961 1.00 0.00 N ATOM 308 CA ILE A 703 46.596 -8.352 -3.950 1.00 0.00 C ATOM 309 C ILE A 703 47.853 -8.361 -4.818 1.00 0.00 C ATOM 310 O ILE A 703 48.936 -8.712 -4.347 1.00 0.00 O ATOM 311 CB ILE A 703 45.600 -9.397 -4.467 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.374 -9.438 -3.546 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.268 -10.777 -4.493 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.203 -10.111 -4.270 1.00 0.00 C ATOM 0 H ILE A 703 45.055 -6.998 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 703 46.878 -8.596 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 703 45.287 -9.128 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.612 -9.984 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.097 -8.427 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.558 -11.518 -4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.136 -10.749 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.585 -11.047 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.335 -10.138 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.959 -9.546 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.481 -11.128 -4.544 1.00 0.00 H new ATOM 326 N GLY A 704 47.744 -7.768 -6.005 1.00 0.00 N ATOM 327 CA GLY A 704 48.840 -7.787 -6.967 1.00 0.00 C ATOM 328 C GLY A 704 49.930 -6.790 -6.576 1.00 0.00 C ATOM 329 O GLY A 704 51.118 -7.045 -6.784 1.00 0.00 O ATOM 0 H GLY A 704 46.911 -7.271 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.263 -8.790 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.461 -7.546 -7.960 1.00 0.00 H new ATOM 333 N LEU A 705 49.528 -5.714 -5.901 1.00 0.00 N ATOM 334 CA LEU A 705 50.481 -4.719 -5.415 1.00 0.00 C ATOM 335 C LEU A 705 51.356 -5.298 -4.308 1.00 0.00 C ATOM 336 O LEU A 705 52.539 -4.970 -4.215 1.00 0.00 O ATOM 337 CB LEU A 705 49.732 -3.490 -4.888 1.00 0.00 C ATOM 338 CG LEU A 705 49.027 -2.780 -6.049 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.020 -1.768 -5.494 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.061 -2.050 -6.909 1.00 0.00 C ATOM 0 H LEU A 705 48.553 -5.510 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 705 51.122 -4.427 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.003 -3.791 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.429 -2.808 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 705 48.504 -3.517 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.519 -1.263 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.281 -2.287 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.543 -1.032 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.557 -1.546 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.586 -1.314 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.777 -2.769 -7.306 1.00 0.00 H new ATOM 352 N MET A 706 50.837 -6.321 -3.629 1.00 0.00 N ATOM 353 CA MET A 706 51.577 -6.962 -2.546 1.00 0.00 C ATOM 354 C MET A 706 52.814 -7.679 -3.087 1.00 0.00 C ATOM 355 O MET A 706 53.855 -7.715 -2.430 1.00 0.00 O ATOM 356 CB MET A 706 50.680 -7.970 -1.824 1.00 0.00 C ATOM 357 CG MET A 706 51.336 -8.386 -0.501 1.00 0.00 C ATOM 358 SD MET A 706 51.538 -10.183 -0.465 1.00 0.00 S ATOM 359 CE MET A 706 49.780 -10.620 -0.418 1.00 0.00 C ATOM 0 H MET A 706 49.915 -6.720 -3.808 1.00 0.00 H new ATOM 0 HA MET A 706 51.895 -6.189 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.701 -7.530 -1.634 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.519 -8.845 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.305 -7.898 -0.394 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.722 -8.062 0.339 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.664 -11.616 0.009 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.242 -9.898 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.375 -10.609 -1.430 1.00 0.00 H new ATOM 369 N VAL A 707 52.727 -8.136 -4.334 1.00 0.00 N ATOM 370 CA VAL A 707 53.844 -8.834 -4.965 1.00 0.00 C ATOM 371 C VAL A 707 55.055 -7.910 -5.080 1.00 0.00 C ATOM 372 O VAL A 707 56.172 -8.296 -4.733 1.00 0.00 O ATOM 373 CB VAL A 707 53.437 -9.325 -6.359 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.616 -10.049 -7.017 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.253 -10.289 -6.238 1.00 0.00 C ATOM 0 H VAL A 707 51.901 -8.037 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 707 54.111 -9.690 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 707 53.150 -8.470 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.323 -10.396 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.459 -9.364 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.907 -10.903 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.965 -10.637 -7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.540 -11.142 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.411 -9.775 -5.775 1.00 0.00 H new ATOM 385 N GLY A 708 54.792 -6.642 -5.391 1.00 0.00 N ATOM 386 CA GLY A 708 55.857 -5.648 -5.495 1.00 0.00 C ATOM 387 C GLY A 708 56.074 -4.934 -4.164 1.00 0.00 C ATOM 388 O GLY A 708 57.006 -4.142 -4.024 1.00 0.00 O ATOM 0 H GLY A 708 53.856 -6.281 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.782 -6.133 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.605 -4.919 -6.265 1.00 0.00 H new ATOM 392 N GLY A 709 55.277 -5.301 -3.162 1.00 0.00 N ATOM 393 CA GLY A 709 55.329 -4.630 -1.865 1.00 0.00 C ATOM 394 C GLY A 709 56.470 -5.174 -1.010 1.00 0.00 C ATOM 395 O GLY A 709 56.589 -4.834 0.168 1.00 0.00 O ATOM 0 H GLY A 709 54.592 -6.054 -3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.460 -3.558 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.382 -4.767 -1.343 1.00 0.00 H new ATOM 399 N VAL A 710 57.365 -5.934 -1.639 1.00 0.00 N ATOM 400 CA VAL A 710 58.489 -6.532 -0.925 1.00 0.00 C ATOM 401 C VAL A 710 59.477 -5.457 -0.481 1.00 0.00 C ATOM 402 O VAL A 710 59.791 -5.349 0.705 1.00 0.00 O ATOM 403 CB VAL A 710 59.209 -7.552 -1.820 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.544 -8.924 -1.670 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.137 -7.107 -3.287 1.00 0.00 C ATOM 0 H VAL A 710 57.333 -6.149 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 710 58.098 -7.040 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 710 60.254 -7.616 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.055 -9.647 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.605 -9.246 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.498 -8.856 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.650 -7.836 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.094 -7.034 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.616 -6.134 -3.396 1.00 0.00 H new ATOM 415 N VAL A 711 59.806 -4.552 -1.398 1.00 0.00 N ATOM 416 CA VAL A 711 60.776 -3.500 -1.108 1.00 0.00 C ATOM 417 C VAL A 711 60.216 -2.532 -0.072 1.00 0.00 C ATOM 418 O VAL A 711 60.805 -2.350 0.994 1.00 0.00 O ATOM 419 CB VAL A 711 61.121 -2.736 -2.392 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.211 -1.700 -2.097 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.622 -3.718 -3.456 1.00 0.00 C ATOM 0 H VAL A 711 59.419 -4.525 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 711 61.679 -3.962 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 711 60.229 -2.228 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.455 -1.158 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.852 -0.999 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.103 -2.206 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.867 -3.173 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.512 -4.229 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.844 -4.451 -3.669 1.00 0.00 H new ATOM 431 N ILE A 712 58.977 -2.104 -0.296 1.00 0.00 N ATOM 432 CA ILE A 712 58.293 -1.221 0.641 1.00 0.00 C ATOM 433 C ILE A 712 58.196 -1.870 2.021 1.00 0.00 C ATOM 434 O ILE A 712 58.363 -1.201 3.042 1.00 0.00 O ATOM 435 CB ILE A 712 56.887 -0.901 0.111 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.979 0.197 -0.958 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.983 -0.433 1.259 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.203 1.561 -0.296 1.00 0.00 C ATOM 0 H ILE A 712 58.427 -2.355 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 712 58.865 -0.298 0.736 1.00 0.00 H new ATOM 0 HB ILE A 712 56.459 -1.802 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.797 -0.021 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.063 0.217 -1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.989 -0.209 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.911 -1.220 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.406 0.463 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.267 2.332 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.371 1.782 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.131 1.540 0.275 1.00 0.00 H new ATOM 450 N ALA A 713 57.917 -3.171 2.042 1.00 0.00 N ATOM 451 CA ALA A 713 57.801 -3.896 3.303 1.00 0.00 C ATOM 452 C ALA A 713 59.099 -3.797 4.099 1.00 0.00 C ATOM 453 O ALA A 713 59.115 -3.207 5.178 1.00 0.00 O ATOM 454 CB ALA A 713 57.470 -5.367 3.034 1.00 0.00 C ATOM 0 H ALA A 713 57.768 -3.740 1.208 1.00 0.00 H new ATOM 0 HA ALA A 713 56.997 -3.447 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.385 -5.900 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.526 -5.435 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.263 -5.815 2.435 1.00 0.00 H new ATOM 460 N THR A 714 60.212 -4.095 3.429 1.00 0.00 N ATOM 461 CA THR A 714 61.520 -4.070 4.080 1.00 0.00 C ATOM 462 C THR A 714 61.832 -2.669 4.598 1.00 0.00 C ATOM 463 O THR A 714 62.244 -2.504 5.746 1.00 0.00 O ATOM 464 CB THR A 714 62.609 -4.502 3.091 1.00 0.00 C ATOM 465 OG1 THR A 714 62.050 -5.364 2.111 1.00 0.00 O ATOM 466 CG2 THR A 714 63.722 -5.241 3.841 1.00 0.00 C ATOM 0 H THR A 714 60.234 -4.355 2.443 1.00 0.00 H new ATOM 0 HA THR A 714 61.498 -4.763 4.921 1.00 0.00 H new ATOM 0 HB THR A 714 63.022 -3.618 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.748 -5.637 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.495 -5.547 3.136 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.156 -4.580 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.308 -6.122 4.330 1.00 0.00 H new ATOM 474 N VAL A 715 61.451 -1.663 3.814 1.00 0.00 N ATOM 475 CA VAL A 715 61.702 -0.273 4.182 1.00 0.00 C ATOM 476 C VAL A 715 60.980 0.073 5.480 1.00 0.00 C ATOM 477 O VAL A 715 61.613 0.426 6.475 1.00 0.00 O ATOM 478 CB VAL A 715 61.213 0.657 3.062 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.472 2.117 3.453 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.957 0.333 1.760 1.00 0.00 C ATOM 0 H VAL A 715 60.969 -1.784 2.923 1.00 0.00 H new ATOM 0 HA VAL A 715 62.774 -0.140 4.327 1.00 0.00 H new ATOM 0 HB VAL A 715 60.144 0.508 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.124 2.774 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.936 2.348 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.540 2.268 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.608 0.995 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.027 0.477 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.765 -0.703 1.479 1.00 0.00 H new ATOM 490 N ILE A 716 59.680 -0.209 5.508 1.00 0.00 N ATOM 491 CA ILE A 716 58.867 0.062 6.686 1.00 0.00 C ATOM 492 C ILE A 716 59.328 -0.793 7.864 1.00 0.00 C ATOM 493 O ILE A 716 59.538 -0.280 8.963 1.00 0.00 O ATOM 494 CB ILE A 716 57.395 -0.232 6.368 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.819 0.912 5.525 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.595 -0.364 7.671 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.457 0.504 4.954 1.00 0.00 C ATOM 0 H ILE A 716 59.169 -0.624 4.729 1.00 0.00 H new ATOM 0 HA ILE A 716 58.978 1.111 6.959 1.00 0.00 H new ATOM 0 HB ILE A 716 57.326 -1.167 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.713 1.808 6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.504 1.158 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.551 -0.573 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.003 -1.180 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.662 0.567 8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.053 1.321 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.575 -0.380 4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.772 0.280 5.772 1.00 0.00 H new ATOM 509 N VAL A 717 59.677 -2.043 7.569 1.00 0.00 N ATOM 510 CA VAL A 717 60.043 -2.993 8.614 1.00 0.00 C ATOM 511 C VAL A 717 61.364 -2.589 9.259 1.00 0.00 C ATOM 512 O VAL A 717 61.459 -2.495 10.484 1.00 0.00 O ATOM 513 CB VAL A 717 60.168 -4.401 8.020 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.719 -5.362 9.080 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.791 -4.890 7.555 1.00 0.00 C ATOM 0 H VAL A 717 59.714 -2.419 6.622 1.00 0.00 H new ATOM 0 HA VAL A 717 59.263 -2.991 9.375 1.00 0.00 H new ATOM 0 HB VAL A 717 60.848 -4.371 7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.807 -6.362 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.701 -5.019 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.042 -5.389 9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.884 -5.891 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.108 -4.916 8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.401 -4.211 6.796 1.00 0.00 H new ATOM 525 N ILE A 718 62.310 -2.164 8.426 1.00 0.00 N ATOM 526 CA ILE A 718 63.609 -1.715 8.916 1.00 0.00 C ATOM 527 C ILE A 718 63.446 -0.499 9.822 1.00 0.00 C ATOM 528 O ILE A 718 64.050 -0.430 10.894 1.00 0.00 O ATOM 529 CB ILE A 718 64.519 -1.365 7.730 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.042 -2.657 7.090 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.703 -0.518 8.212 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.576 -2.360 5.685 1.00 0.00 C ATOM 0 H ILE A 718 62.202 -2.121 7.413 1.00 0.00 H new ATOM 0 HA ILE A 718 64.063 -2.520 9.493 1.00 0.00 H new ATOM 0 HB ILE A 718 63.948 -0.797 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.832 -3.085 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.243 -3.397 7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.344 -0.274 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.332 0.402 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.275 -1.080 8.950 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.946 -3.281 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.774 -1.952 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.388 -1.636 5.750 1.00 0.00 H new ATOM 544 N THR A 719 62.495 0.365 9.473 1.00 0.00 N ATOM 545 CA THR A 719 62.215 1.549 10.278 1.00 0.00 C ATOM 546 C THR A 719 61.500 1.160 11.570 1.00 0.00 C ATOM 547 O THR A 719 61.810 1.687 12.638 1.00 0.00 O ATOM 548 CB THR A 719 61.342 2.527 9.484 1.00 0.00 C ATOM 549 OG1 THR A 719 61.812 2.601 8.146 1.00 0.00 O ATOM 550 CG2 THR A 719 61.411 3.916 10.125 1.00 0.00 C ATOM 0 H THR A 719 61.909 0.268 8.644 1.00 0.00 H new ATOM 0 HA THR A 719 63.161 2.028 10.528 1.00 0.00 H new ATOM 0 HB THR A 719 60.310 2.177 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.523 1.804 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.789 4.609 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.050 3.861 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.443 4.268 10.121 1.00 0.00 H new ATOM 558 N LEU A 720 60.690 0.108 11.490 1.00 0.00 N ATOM 559 CA LEU A 720 59.915 -0.341 12.642 1.00 0.00 C ATOM 560 C LEU A 720 60.836 -0.861 13.741 1.00 0.00 C ATOM 561 O LEU A 720 60.528 -0.743 14.926 1.00 0.00 O ATOM 562 CB LEU A 720 58.947 -1.448 12.219 1.00 0.00 C ATOM 563 CG LEU A 720 57.886 -1.650 13.309 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.614 -0.882 12.936 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.564 -3.142 13.442 1.00 0.00 C ATOM 0 H LEU A 720 60.554 -0.446 10.645 1.00 0.00 H new ATOM 0 HA LEU A 720 59.352 0.508 13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.468 -1.185 11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.492 -2.377 12.052 1.00 0.00 H new ATOM 0 HG LEU A 720 58.268 -1.277 14.259 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.861 -1.026 13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.843 0.180 12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.231 -1.252 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.810 -3.284 14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.184 -3.518 12.492 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.469 -3.687 13.712 1.00 0.00 H new ATOM 577 N VAL A 721 61.951 -1.466 13.336 1.00 0.00 N ATOM 578 CA VAL A 721 62.949 -1.929 14.296 1.00 0.00 C ATOM 579 C VAL A 721 63.427 -0.772 15.169 1.00 0.00 C ATOM 580 O VAL A 721 63.402 -0.865 16.397 1.00 0.00 O ATOM 581 CB VAL A 721 64.143 -2.544 13.557 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.226 -2.936 14.569 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.686 -3.790 12.792 1.00 0.00 C ATOM 0 H VAL A 721 62.184 -1.645 12.359 1.00 0.00 H new ATOM 0 HA VAL A 721 62.490 -2.685 14.933 1.00 0.00 H new ATOM 0 HB VAL A 721 64.548 -1.815 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.075 -3.373 14.043 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.554 -2.050 15.113 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.821 -3.664 15.272 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.536 -4.227 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.279 -4.519 13.493 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.917 -3.513 12.071 1.00 0.00 H new ATOM 593 N MET A 722 63.649 0.379 14.538 1.00 0.00 N ATOM 594 CA MET A 722 64.123 1.553 15.259 1.00 0.00 C ATOM 595 C MET A 722 63.031 2.089 16.181 1.00 0.00 C ATOM 596 O MET A 722 63.290 2.392 17.346 1.00 0.00 O ATOM 597 CB MET A 722 64.546 2.643 14.270 1.00 0.00 C ATOM 598 CG MET A 722 65.140 3.829 15.036 1.00 0.00 C ATOM 599 SD MET A 722 63.890 5.130 15.196 1.00 0.00 S ATOM 600 CE MET A 722 65.033 6.528 15.313 1.00 0.00 C ATOM 0 H MET A 722 63.509 0.521 13.538 1.00 0.00 H new ATOM 0 HA MET A 722 64.983 1.264 15.863 1.00 0.00 H new ATOM 0 HB2 MET A 722 65.279 2.246 13.568 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.687 2.969 13.683 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.475 3.508 16.022 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.015 4.213 14.512 1.00 0.00 H new ATOM 0 HE1 MET A 722 64.467 7.453 15.420 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.681 6.397 16.180 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.641 6.577 14.410 1.00 0.00 H new ATOM 610 N LEU A 723 61.787 2.012 15.712 1.00 0.00 N ATOM 611 CA LEU A 723 60.647 2.438 16.517 1.00 0.00 C ATOM 612 C LEU A 723 60.426 1.482 17.685 1.00 0.00 C ATOM 613 O LEU A 723 60.362 1.917 18.836 1.00 0.00 O ATOM 614 CB LEU A 723 59.386 2.495 15.649 1.00 0.00 C ATOM 615 CG LEU A 723 59.585 3.508 14.518 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.413 3.414 13.537 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.651 4.924 15.096 1.00 0.00 C ATOM 0 H LEU A 723 61.545 1.661 14.785 1.00 0.00 H new ATOM 0 HA LEU A 723 60.857 3.431 16.914 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.173 1.510 15.235 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.527 2.778 16.257 1.00 0.00 H new ATOM 0 HG LEU A 723 60.517 3.287 13.998 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.554 4.135 12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.368 2.408 13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.482 3.632 14.060 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.793 5.641 14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.721 5.147 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.486 4.994 15.793 1.00 0.00 H new ATOM 629 N LYS A 724 60.594 0.189 17.418 1.00 0.00 N ATOM 630 CA LYS A 724 60.436 -0.826 18.457 1.00 0.00 C ATOM 631 C LYS A 724 61.771 -1.106 19.149 1.00 0.00 C ATOM 632 O LYS A 724 62.672 -0.266 19.145 1.00 0.00 O ATOM 633 CB LYS A 724 59.893 -2.124 17.846 1.00 0.00 C ATOM 634 CG LYS A 724 59.024 -2.857 18.877 1.00 0.00 C ATOM 635 CD LYS A 724 57.557 -2.442 18.715 1.00 0.00 C ATOM 636 CE LYS A 724 56.801 -2.726 20.015 1.00 0.00 C ATOM 637 NZ LYS A 724 56.903 -4.176 20.342 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.838 -0.179 16.498 1.00 0.00 H new ATOM 0 HA LYS A 724 59.730 -0.449 19.197 1.00 0.00 H new ATOM 0 HB2 LYS A 724 59.306 -1.900 16.955 1.00 0.00 H new ATOM 0 HB3 LYS A 724 60.719 -2.763 17.532 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.122 -3.935 18.747 1.00 0.00 H new ATOM 0 HG3 LYS A 724 59.367 -2.625 19.885 1.00 0.00 H new ATOM 0 HD2 LYS A 724 57.493 -1.382 18.468 1.00 0.00 H new ATOM 0 HD3 LYS A 724 57.102 -2.990 17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 724 57.216 -2.129 20.827 1.00 0.00 H new ATOM 0 HE3 LYS A 724 55.755 -2.439 19.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 56.196 -4.419 21.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 56.729 -4.738 19.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 57.855 -4.384 20.705 1.00 0.00 H new ATOM 651 N LYS A 725 61.855 -2.260 19.808 1.00 0.00 N ATOM 652 CA LYS A 725 63.008 -2.586 20.640 1.00 0.00 C ATOM 653 C LYS A 725 63.049 -4.085 20.927 1.00 0.00 C ATOM 654 O LYS A 725 64.125 -4.660 21.100 1.00 0.00 O ATOM 655 CB LYS A 725 62.940 -1.812 21.963 1.00 0.00 C ATOM 656 CG LYS A 725 61.522 -1.894 22.541 1.00 0.00 C ATOM 657 CD LYS A 725 61.519 -1.366 23.979 1.00 0.00 C ATOM 658 CE LYS A 725 60.080 -1.306 24.503 1.00 0.00 C ATOM 659 NZ LYS A 725 60.080 -0.803 25.906 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.137 -2.984 19.781 1.00 0.00 H new ATOM 0 HA LYS A 725 63.913 -2.302 20.103 1.00 0.00 H new ATOM 0 HB2 LYS A 725 63.656 -2.225 22.673 1.00 0.00 H new ATOM 0 HB3 LYS A 725 63.216 -0.770 21.800 1.00 0.00 H new ATOM 0 HG2 LYS A 725 60.835 -1.311 21.928 1.00 0.00 H new ATOM 0 HG3 LYS A 725 61.170 -2.925 22.521 1.00 0.00 H new ATOM 0 HD2 LYS A 725 62.122 -2.014 24.616 1.00 0.00 H new ATOM 0 HD3 LYS A 725 61.971 -0.375 24.014 1.00 0.00 H new ATOM 0 HE2 LYS A 725 59.479 -0.652 23.871 1.00 0.00 H new ATOM 0 HE3 LYS A 725 59.625 -2.296 24.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 59.103 -0.763 26.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 60.639 -1.444 26.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 60.498 0.149 25.933 1.00 0.00 H new ATOM 673 N LYS A 726 61.897 -4.734 20.775 1.00 0.00 N ATOM 674 CA LYS A 726 61.791 -6.169 21.022 1.00 0.00 C ATOM 675 C LYS A 726 61.896 -6.944 19.711 1.00 0.00 C ATOM 676 O LYS A 726 60.994 -6.881 18.874 1.00 0.00 O ATOM 677 CB LYS A 726 60.456 -6.487 21.704 1.00 0.00 C ATOM 678 CG LYS A 726 60.447 -5.911 23.127 1.00 0.00 C ATOM 679 CD LYS A 726 60.587 -7.049 24.144 1.00 0.00 C ATOM 680 CE LYS A 726 60.680 -6.470 25.558 1.00 0.00 C ATOM 681 NZ LYS A 726 59.361 -5.897 25.951 1.00 0.00 N1+ ATOM 0 H LYS A 726 61.026 -4.290 20.483 1.00 0.00 H new ATOM 0 HA LYS A 726 62.610 -6.469 21.676 1.00 0.00 H new ATOM 0 HB2 LYS A 726 59.633 -6.066 21.126 1.00 0.00 H new ATOM 0 HB3 LYS A 726 60.303 -7.566 21.738 1.00 0.00 H new ATOM 0 HG2 LYS A 726 61.264 -5.200 23.247 1.00 0.00 H new ATOM 0 HG3 LYS A 726 59.520 -5.365 23.303 1.00 0.00 H new ATOM 0 HD2 LYS A 726 59.732 -7.721 24.072 1.00 0.00 H new ATOM 0 HD3 LYS A 726 61.476 -7.639 23.923 1.00 0.00 H new ATOM 0 HE2 LYS A 726 60.974 -7.248 26.262 1.00 0.00 H new ATOM 0 HE3 LYS A 726 61.449 -5.699 25.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 59.362 -5.690 26.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 59.192 -5.019 25.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 58.608 -6.582 25.738 1.00 0.00 H new ATOM 695 N GLN A 727 63.090 -7.469 19.444 1.00 0.00 N ATOM 696 CA GLN A 727 63.312 -8.291 18.258 1.00 0.00 C ATOM 697 C GLN A 727 63.044 -9.763 18.566 1.00 0.00 C ATOM 698 O GLN A 727 63.537 -10.294 19.561 1.00 0.00 O ATOM 699 CB GLN A 727 64.757 -8.119 17.775 1.00 0.00 C ATOM 700 CG GLN A 727 64.986 -8.952 16.508 1.00 0.00 C ATOM 701 CD GLN A 727 65.724 -10.243 16.854 1.00 0.00 C ATOM 702 OE1 GLN A 727 65.180 -11.335 16.691 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.925 -10.178 17.363 1.00 0.00 N ATOM 0 H GLN A 727 63.915 -7.340 20.030 1.00 0.00 H new ATOM 0 HA GLN A 727 62.624 -7.968 17.476 1.00 0.00 H new ATOM 0 HB2 GLN A 727 64.959 -7.067 17.571 1.00 0.00 H new ATOM 0 HB3 GLN A 727 65.450 -8.431 18.556 1.00 0.00 H new ATOM 0 HG2 GLN A 727 64.030 -9.185 16.039 1.00 0.00 H new ATOM 0 HG3 GLN A 727 65.564 -8.377 15.785 1.00 0.00 H new ATOM 0 HE21 GLN A 727 67.374 -9.272 17.497 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.414 -11.033 17.626 1.00 0.00 H new ATOM 712 N TYR A 728 62.394 -10.446 17.627 1.00 0.00 N ATOM 713 CA TYR A 728 62.201 -11.889 17.731 1.00 0.00 C ATOM 714 C TYR A 728 62.115 -12.516 16.343 1.00 0.00 C ATOM 715 O TYR A 728 61.361 -12.051 15.487 1.00 0.00 O ATOM 716 CB TYR A 728 60.917 -12.186 18.514 1.00 0.00 C ATOM 717 CG TYR A 728 60.666 -13.678 18.545 1.00 0.00 C ATOM 718 CD1 TYR A 728 61.203 -14.454 19.582 1.00 0.00 C ATOM 719 CD2 TYR A 728 59.746 -14.248 17.659 1.00 0.00 C ATOM 720 CE1 TYR A 728 60.906 -15.821 19.655 1.00 0.00 C ATOM 721 CE2 TYR A 728 59.545 -15.633 17.656 1.00 0.00 C ATOM 722 CZ TYR A 728 60.109 -16.417 18.669 1.00 0.00 C ATOM 723 OH TYR A 728 59.820 -17.766 18.739 1.00 0.00 O ATOM 0 H TYR A 728 61.994 -10.025 16.789 1.00 0.00 H new ATOM 0 HA TYR A 728 63.053 -12.319 18.257 1.00 0.00 H new ATOM 0 HB2 TYR A 728 61.003 -11.802 19.530 1.00 0.00 H new ATOM 0 HB3 TYR A 728 60.072 -11.676 18.051 1.00 0.00 H new ATOM 0 HD1 TYR A 728 61.844 -13.999 20.323 1.00 0.00 H new ATOM 0 HD2 TYR A 728 59.191 -13.620 16.978 1.00 0.00 H new ATOM 0 HE1 TYR A 728 61.291 -16.415 20.471 1.00 0.00 H new ATOM 0 HE2 TYR A 728 58.958 -16.094 16.876 1.00 0.00 H new ATOM 0 HH TYR A 728 59.255 -18.019 17.979 1.00 0.00 H new TER 733 TYR A 728