USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=4 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= -0.0732 X(o=-0.073,f=-0.39) USER MOD Single : A 685 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.93) USER MOD Single : A 686 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 719 THR OG1 : rot 80:sc= 0.298 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 66.438 7.107 -25.130 1.00 0.00 N ATOM 2 CA VAL A 683 65.190 6.500 -24.680 1.00 0.00 C ATOM 3 C VAL A 683 64.617 7.284 -23.496 1.00 0.00 C ATOM 4 O VAL A 683 64.303 8.468 -23.627 1.00 0.00 O ATOM 5 CB VAL A 683 65.433 5.033 -24.292 1.00 0.00 C ATOM 6 CG1 VAL A 683 64.089 4.312 -24.126 1.00 0.00 C ATOM 7 CG2 VAL A 683 66.252 4.343 -25.389 1.00 0.00 C ATOM 0 HA VAL A 683 64.465 6.530 -25.493 1.00 0.00 H new ATOM 0 HB VAL A 683 65.981 4.995 -23.350 1.00 0.00 H new ATOM 0 HG11 VAL A 683 64.265 3.272 -23.851 1.00 0.00 H new ATOM 0 HG12 VAL A 683 63.508 4.801 -23.344 1.00 0.00 H new ATOM 0 HG13 VAL A 683 63.537 4.350 -25.065 1.00 0.00 H new ATOM 0 HG21 VAL A 683 66.425 3.302 -25.114 1.00 0.00 H new ATOM 0 HG22 VAL A 683 65.705 4.384 -26.331 1.00 0.00 H new ATOM 0 HG23 VAL A 683 67.209 4.852 -25.503 1.00 0.00 H new ATOM 16 N HIS A 684 64.492 6.629 -22.341 1.00 0.00 N ATOM 17 CA HIS A 684 63.993 7.300 -21.145 1.00 0.00 C ATOM 18 C HIS A 684 64.364 6.511 -19.890 1.00 0.00 C ATOM 19 O HIS A 684 64.776 5.352 -19.973 1.00 0.00 O ATOM 20 CB HIS A 684 62.464 7.475 -21.241 1.00 0.00 C ATOM 21 CG HIS A 684 61.757 6.426 -20.418 1.00 0.00 C ATOM 22 ND1 HIS A 684 61.779 5.084 -20.761 1.00 0.00 N ATOM 23 CD2 HIS A 684 61.158 6.486 -19.184 1.00 0.00 C ATOM 24 CE1 HIS A 684 61.257 4.393 -19.729 1.00 0.00 C ATOM 25 NE2 HIS A 684 60.919 5.197 -18.718 1.00 0.00 N ATOM 0 H HIS A 684 64.727 5.645 -22.211 1.00 0.00 H new ATOM 0 HA HIS A 684 64.457 8.284 -21.076 1.00 0.00 H new ATOM 0 HB2 HIS A 684 62.184 8.469 -20.892 1.00 0.00 H new ATOM 0 HB3 HIS A 684 62.149 7.402 -22.282 1.00 0.00 H new ATOM 0 HD2 HIS A 684 60.910 7.395 -18.656 1.00 0.00 H new ATOM 0 HE1 HIS A 684 61.128 3.321 -19.721 1.00 0.00 H new ATOM 0 HE2 HIS A 684 60.563 4.925 -17.802 1.00 0.00 H new ATOM 33 N HIS A 685 64.254 7.163 -18.733 1.00 0.00 N ATOM 34 CA HIS A 685 64.607 6.530 -17.463 1.00 0.00 C ATOM 35 C HIS A 685 63.741 7.081 -16.331 1.00 0.00 C ATOM 36 O HIS A 685 62.970 8.022 -16.531 1.00 0.00 O ATOM 37 CB HIS A 685 66.092 6.766 -17.134 1.00 0.00 C ATOM 38 CG HIS A 685 66.734 7.619 -18.199 1.00 0.00 C ATOM 39 ND1 HIS A 685 66.448 8.970 -18.325 1.00 0.00 N ATOM 40 CD2 HIS A 685 67.453 7.287 -19.323 1.00 0.00 C ATOM 41 CE1 HIS A 685 67.112 9.422 -19.402 1.00 0.00 C ATOM 42 NE2 HIS A 685 67.638 8.422 -20.110 1.00 0.00 N ATOM 0 H HIS A 685 63.925 8.125 -18.649 1.00 0.00 H new ATOM 0 HA HIS A 685 64.430 5.459 -17.560 1.00 0.00 H new ATOM 0 HB2 HIS A 685 66.184 7.254 -16.163 1.00 0.00 H new ATOM 0 HB3 HIS A 685 66.612 5.811 -17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 685 67.818 6.299 -19.560 1.00 0.00 H new ATOM 0 HE1 HIS A 685 67.208 10.466 -19.662 1.00 0.00 H new ATOM 0 HE2 HIS A 685 68.080 8.476 -21.028 1.00 0.00 H new ATOM 50 N GLN A 686 63.771 6.397 -15.189 1.00 0.00 N ATOM 51 CA GLN A 686 62.973 6.803 -14.034 1.00 0.00 C ATOM 52 C GLN A 686 63.578 6.250 -12.746 1.00 0.00 C ATOM 53 O GLN A 686 64.311 5.260 -12.771 1.00 0.00 O ATOM 54 CB GLN A 686 61.535 6.295 -14.190 1.00 0.00 C ATOM 55 CG GLN A 686 61.522 4.762 -14.164 1.00 0.00 C ATOM 56 CD GLN A 686 60.235 4.232 -14.792 1.00 0.00 C ATOM 57 OE1 GLN A 686 59.206 4.908 -14.771 1.00 0.00 O ATOM 58 NE2 GLN A 686 60.206 3.014 -15.263 1.00 0.00 N ATOM 0 H GLN A 686 64.337 5.562 -15.039 1.00 0.00 H new ATOM 0 HA GLN A 686 62.968 7.892 -13.980 1.00 0.00 H new ATOM 0 HB2 GLN A 686 60.912 6.687 -13.386 1.00 0.00 H new ATOM 0 HB3 GLN A 686 61.111 6.656 -15.127 1.00 0.00 H new ATOM 0 HG2 GLN A 686 62.385 4.375 -14.706 1.00 0.00 H new ATOM 0 HG3 GLN A 686 61.606 4.408 -13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 686 61.058 2.454 -15.281 1.00 0.00 H new ATOM 0 HE22 GLN A 686 59.331 2.623 -15.613 1.00 0.00 H new ATOM 67 N LYS A 687 63.202 6.845 -11.614 1.00 0.00 N ATOM 68 CA LYS A 687 63.706 6.396 -10.318 1.00 0.00 C ATOM 69 C LYS A 687 62.865 6.974 -9.180 1.00 0.00 C ATOM 70 O LYS A 687 63.195 6.790 -8.006 1.00 0.00 O ATOM 71 CB LYS A 687 65.171 6.825 -10.151 1.00 0.00 C ATOM 72 CG LYS A 687 66.030 5.604 -9.800 1.00 0.00 C ATOM 73 CD LYS A 687 67.448 6.058 -9.433 1.00 0.00 C ATOM 74 CE LYS A 687 68.154 6.612 -10.674 1.00 0.00 C ATOM 75 NZ LYS A 687 69.631 6.536 -10.485 1.00 0.00 N1+ ATOM 0 H LYS A 687 62.555 7.633 -11.568 1.00 0.00 H new ATOM 0 HA LYS A 687 63.640 5.309 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 687 65.533 7.284 -11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 687 65.253 7.577 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 687 65.584 5.061 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 687 66.065 4.917 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 687 67.405 6.822 -8.656 1.00 0.00 H new ATOM 0 HD3 LYS A 687 68.014 5.220 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 687 67.860 6.043 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 687 67.852 7.645 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 70.109 6.913 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 69.904 7.097 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 69.912 5.545 -10.341 1.00 0.00 H new ATOM 89 N LEU A 688 61.680 7.476 -9.524 1.00 0.00 N ATOM 90 CA LEU A 688 60.820 8.141 -8.547 1.00 0.00 C ATOM 91 C LEU A 688 59.468 7.436 -8.457 1.00 0.00 C ATOM 92 O LEU A 688 58.740 7.602 -7.476 1.00 0.00 O ATOM 93 CB LEU A 688 60.610 9.609 -8.949 1.00 0.00 C ATOM 94 CG LEU A 688 61.274 10.540 -7.924 1.00 0.00 C ATOM 95 CD1 LEU A 688 60.651 10.319 -6.538 1.00 0.00 C ATOM 96 CD2 LEU A 688 62.780 10.257 -7.864 1.00 0.00 C ATOM 0 H LEU A 688 61.295 7.435 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 688 61.305 8.097 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 688 61.031 9.786 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 688 59.544 9.827 -9.012 1.00 0.00 H new ATOM 0 HG LEU A 688 61.115 11.575 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 688 61.126 10.982 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 688 59.583 10.534 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 688 60.801 9.283 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 688 63.246 10.920 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 688 62.944 9.221 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 688 63.222 10.429 -8.846 1.00 0.00 H new ATOM 108 N VAL A 689 59.241 6.499 -9.376 1.00 0.00 N ATOM 109 CA VAL A 689 58.009 5.713 -9.379 1.00 0.00 C ATOM 110 C VAL A 689 57.966 4.769 -8.175 1.00 0.00 C ATOM 111 O VAL A 689 56.900 4.281 -7.799 1.00 0.00 O ATOM 112 CB VAL A 689 57.919 4.905 -10.682 1.00 0.00 C ATOM 113 CG1 VAL A 689 59.111 3.945 -10.779 1.00 0.00 C ATOM 114 CG2 VAL A 689 56.612 4.103 -10.709 1.00 0.00 C ATOM 0 H VAL A 689 59.892 6.266 -10.126 1.00 0.00 H new ATOM 0 HA VAL A 689 57.159 6.393 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 689 57.937 5.592 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 689 59.044 3.374 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 689 60.039 4.516 -10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 689 59.098 3.262 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 689 56.554 3.532 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 689 56.587 3.420 -9.860 1.00 0.00 H new ATOM 0 HG23 VAL A 689 55.765 4.786 -10.650 1.00 0.00 H new ATOM 124 N PHE A 690 59.107 4.625 -7.502 1.00 0.00 N ATOM 125 CA PHE A 690 59.179 3.826 -6.282 1.00 0.00 C ATOM 126 C PHE A 690 58.172 4.323 -5.247 1.00 0.00 C ATOM 127 O PHE A 690 57.267 3.588 -4.851 1.00 0.00 O ATOM 128 CB PHE A 690 60.595 3.901 -5.698 1.00 0.00 C ATOM 129 CG PHE A 690 61.372 2.666 -6.093 1.00 0.00 C ATOM 130 CD1 PHE A 690 61.820 2.514 -7.413 1.00 0.00 C ATOM 131 CD2 PHE A 690 61.515 1.611 -5.184 1.00 0.00 C ATOM 132 CE1 PHE A 690 62.467 1.336 -7.801 1.00 0.00 C ATOM 133 CE2 PHE A 690 62.210 0.455 -5.557 1.00 0.00 C ATOM 134 CZ PHE A 690 62.658 0.304 -6.875 1.00 0.00 C ATOM 0 H PHE A 690 59.991 5.050 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 690 58.938 2.793 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 690 61.103 4.794 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.548 3.981 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 690 61.666 3.307 -8.130 1.00 0.00 H new ATOM 0 HD2 PHE A 690 61.089 1.689 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 690 62.819 1.223 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 690 62.401 -0.320 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 690 63.151 -0.608 -7.177 1.00 0.00 H new ATOM 144 N PHE A 691 58.423 5.516 -4.712 1.00 0.00 N ATOM 145 CA PHE A 691 57.492 6.139 -3.776 1.00 0.00 C ATOM 146 C PHE A 691 56.123 6.336 -4.426 1.00 0.00 C ATOM 147 O PHE A 691 55.095 6.286 -3.749 1.00 0.00 O ATOM 148 CB PHE A 691 58.048 7.492 -3.315 1.00 0.00 C ATOM 149 CG PHE A 691 56.992 8.240 -2.533 1.00 0.00 C ATOM 150 CD1 PHE A 691 56.646 7.810 -1.244 1.00 0.00 C ATOM 151 CD2 PHE A 691 56.194 9.188 -3.186 1.00 0.00 C ATOM 152 CE1 PHE A 691 55.561 8.393 -0.578 1.00 0.00 C ATOM 153 CE2 PHE A 691 55.036 9.671 -2.567 1.00 0.00 C ATOM 154 CZ PHE A 691 54.773 9.346 -1.232 1.00 0.00 C ATOM 0 H PHE A 691 59.258 6.067 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 691 57.374 5.482 -2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 691 58.932 7.340 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 691 58.360 8.081 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 691 57.217 7.029 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 691 56.472 9.546 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 691 55.333 8.108 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 691 54.347 10.293 -3.118 1.00 0.00 H new ATOM 0 HZ PHE A 691 53.963 9.830 -0.707 1.00 0.00 H new ATOM 164 N ALA A 692 56.129 6.736 -5.696 1.00 0.00 N ATOM 165 CA ALA A 692 54.886 7.064 -6.390 1.00 0.00 C ATOM 166 C ALA A 692 54.019 5.819 -6.570 1.00 0.00 C ATOM 167 O ALA A 692 52.806 5.926 -6.751 1.00 0.00 O ATOM 168 CB ALA A 692 55.197 7.676 -7.757 1.00 0.00 C ATOM 0 H ALA A 692 56.972 6.840 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 692 54.337 7.785 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 692 54.265 7.918 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 692 55.784 8.585 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 692 55.764 6.962 -8.355 1.00 0.00 H new ATOM 174 N GLU A 693 54.615 4.654 -6.320 1.00 0.00 N ATOM 175 CA GLU A 693 53.882 3.390 -6.390 1.00 0.00 C ATOM 176 C GLU A 693 52.750 3.358 -5.365 1.00 0.00 C ATOM 177 O GLU A 693 51.790 2.602 -5.520 1.00 0.00 O ATOM 178 CB GLU A 693 54.840 2.221 -6.132 1.00 0.00 C ATOM 179 CG GLU A 693 54.318 0.960 -6.829 1.00 0.00 C ATOM 180 CD GLU A 693 55.302 -0.191 -6.631 1.00 0.00 C ATOM 181 OE1 GLU A 693 56.289 -0.228 -7.347 1.00 0.00 O ATOM 182 OE2 GLU A 693 55.113 -0.949 -5.693 1.00 0.00 O1- ATOM 0 H GLU A 693 55.599 4.559 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 693 53.450 3.299 -7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 693 55.836 2.466 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.932 2.044 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 693 53.342 0.689 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 693 54.181 1.153 -7.893 1.00 0.00 H new ATOM 189 N ASP A 694 52.779 4.302 -4.428 1.00 0.00 N ATOM 190 CA ASP A 694 51.861 4.271 -3.293 1.00 0.00 C ATOM 191 C ASP A 694 50.456 4.682 -3.717 1.00 0.00 C ATOM 192 O ASP A 694 49.491 4.463 -2.982 1.00 0.00 O ATOM 193 CB ASP A 694 52.360 5.221 -2.203 1.00 0.00 C ATOM 194 CG ASP A 694 53.568 4.621 -1.489 1.00 0.00 C ATOM 195 OD1 ASP A 694 54.487 4.200 -2.174 1.00 0.00 O ATOM 196 OD2 ASP A 694 53.640 4.769 -0.281 1.00 0.00 O1- ATOM 0 H ASP A 694 53.423 5.093 -4.431 1.00 0.00 H new ATOM 0 HA ASP A 694 51.824 3.251 -2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 694 52.629 6.181 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 694 51.563 5.412 -1.485 1.00 0.00 H new ATOM 201 N VAL A 695 50.334 5.162 -4.951 1.00 0.00 N ATOM 202 CA VAL A 695 49.032 5.541 -5.492 1.00 0.00 C ATOM 203 C VAL A 695 48.217 4.306 -5.859 1.00 0.00 C ATOM 204 O VAL A 695 47.133 4.421 -6.431 1.00 0.00 O ATOM 205 CB VAL A 695 49.218 6.421 -6.734 1.00 0.00 C ATOM 206 CG1 VAL A 695 50.092 7.628 -6.376 1.00 0.00 C ATOM 207 CG2 VAL A 695 49.885 5.611 -7.854 1.00 0.00 C ATOM 0 H VAL A 695 51.116 5.297 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 695 48.493 6.099 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 695 48.244 6.767 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 695 50.225 8.255 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 695 49.608 8.207 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 695 51.065 7.282 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 695 50.014 6.243 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 695 50.859 5.256 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 695 49.257 4.758 -8.110 1.00 0.00 H new ATOM 217 N GLY A 696 48.840 3.140 -5.718 1.00 0.00 N ATOM 218 CA GLY A 696 48.227 1.887 -6.149 1.00 0.00 C ATOM 219 C GLY A 696 46.812 1.750 -5.594 1.00 0.00 C ATOM 220 O GLY A 696 46.629 1.458 -4.411 1.00 0.00 O ATOM 0 H GLY A 696 49.769 3.036 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 696 48.200 1.847 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 696 48.835 1.047 -5.815 1.00 0.00 H new ATOM 224 N SER A 697 45.827 2.111 -6.414 1.00 0.00 N ATOM 225 CA SER A 697 44.437 2.130 -5.969 1.00 0.00 C ATOM 226 C SER A 697 43.821 0.734 -6.063 1.00 0.00 C ATOM 227 O SER A 697 44.533 -0.255 -6.248 1.00 0.00 O ATOM 228 CB SER A 697 43.635 3.109 -6.831 1.00 0.00 C ATOM 229 OG SER A 697 43.539 2.608 -8.157 1.00 0.00 O ATOM 0 H SER A 697 45.965 2.393 -7.385 1.00 0.00 H new ATOM 0 HA SER A 697 44.408 2.451 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 697 42.639 3.248 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 697 44.118 4.086 -6.835 1.00 0.00 H new ATOM 0 HG SER A 697 43.024 3.235 -8.707 1.00 0.00 H new ATOM 235 N ASN A 698 42.498 0.664 -5.913 1.00 0.00 N ATOM 236 CA ASN A 698 41.776 -0.608 -6.003 1.00 0.00 C ATOM 237 C ASN A 698 42.061 -1.478 -4.781 1.00 0.00 C ATOM 238 O ASN A 698 43.176 -1.487 -4.257 1.00 0.00 O ATOM 239 CB ASN A 698 42.174 -1.362 -7.281 1.00 0.00 C ATOM 240 CG ASN A 698 40.937 -1.644 -8.128 1.00 0.00 C ATOM 241 OD1 ASN A 698 40.651 -0.911 -9.075 1.00 0.00 O ATOM 242 ND2 ASN A 698 40.157 -2.642 -7.814 1.00 0.00 N ATOM 0 H ASN A 698 41.904 1.472 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 698 40.709 -0.389 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 698 42.890 -0.772 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 698 42.668 -2.298 -7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 698 39.309 -2.816 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 698 40.395 -3.248 -7.029 1.00 0.00 H new ATOM 249 N LYS A 699 41.049 -2.227 -4.347 1.00 0.00 N ATOM 250 CA LYS A 699 41.197 -3.103 -3.189 1.00 0.00 C ATOM 251 C LYS A 699 41.868 -4.412 -3.592 1.00 0.00 C ATOM 252 O LYS A 699 42.955 -4.729 -3.110 1.00 0.00 O ATOM 253 CB LYS A 699 39.824 -3.397 -2.576 1.00 0.00 C ATOM 254 CG LYS A 699 39.999 -3.957 -1.159 1.00 0.00 C ATOM 255 CD LYS A 699 39.878 -2.821 -0.138 1.00 0.00 C ATOM 256 CE LYS A 699 40.189 -3.359 1.261 1.00 0.00 C ATOM 257 NZ LYS A 699 40.058 -2.258 2.257 1.00 0.00 N1+ ATOM 0 H LYS A 699 40.124 -2.245 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 699 41.822 -2.599 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 699 39.226 -2.486 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.284 -4.113 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 699 39.244 -4.718 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 699 40.971 -4.441 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 699 40.567 -2.015 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 699 38.873 -2.401 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 699 39.507 -4.172 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 699 41.198 -3.770 1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 40.269 -2.623 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 40.726 -1.496 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 39.087 -1.885 2.237 1.00 0.00 H new ATOM 271 N GLY A 700 41.322 -5.051 -4.625 1.00 0.00 N ATOM 272 CA GLY A 700 41.805 -6.363 -5.048 1.00 0.00 C ATOM 273 C GLY A 700 43.218 -6.268 -5.616 1.00 0.00 C ATOM 274 O GLY A 700 43.940 -7.266 -5.666 1.00 0.00 O ATOM 0 H GLY A 700 40.550 -4.684 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.795 -7.049 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.134 -6.776 -5.801 1.00 0.00 H new ATOM 278 N ALA A 701 43.677 -5.035 -5.825 1.00 0.00 N ATOM 279 CA ALA A 701 45.043 -4.796 -6.277 1.00 0.00 C ATOM 280 C ALA A 701 46.052 -5.221 -5.213 1.00 0.00 C ATOM 281 O ALA A 701 47.180 -5.590 -5.535 1.00 0.00 O ATOM 282 CB ALA A 701 45.231 -3.312 -6.593 1.00 0.00 C ATOM 0 H ALA A 701 43.123 -4.189 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 701 45.214 -5.389 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.253 -3.138 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.535 -3.016 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.040 -2.722 -5.697 1.00 0.00 H new ATOM 288 N ILE A 702 45.643 -5.152 -3.947 1.00 0.00 N ATOM 289 CA ILE A 702 46.560 -5.408 -2.835 1.00 0.00 C ATOM 290 C ILE A 702 47.253 -6.759 -3.004 1.00 0.00 C ATOM 291 O ILE A 702 48.440 -6.892 -2.706 1.00 0.00 O ATOM 292 CB ILE A 702 45.796 -5.381 -1.503 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.651 -6.407 -1.533 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.222 -3.978 -1.272 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.048 -7.653 -0.734 1.00 0.00 C ATOM 0 H ILE A 702 44.690 -4.923 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 702 47.318 -4.625 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 702 46.480 -5.634 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.746 -5.968 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.424 -6.682 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.680 -3.958 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.035 -3.253 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.543 -3.724 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.233 -8.376 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.941 -8.098 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.253 -7.373 0.299 1.00 0.00 H new ATOM 307 N ILE A 703 46.580 -7.665 -3.711 1.00 0.00 N ATOM 308 CA ILE A 703 47.143 -8.979 -4.003 1.00 0.00 C ATOM 309 C ILE A 703 48.312 -8.857 -4.978 1.00 0.00 C ATOM 310 O ILE A 703 49.423 -9.301 -4.681 1.00 0.00 O ATOM 311 CB ILE A 703 46.054 -9.876 -4.607 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.916 -10.050 -3.592 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.649 -11.247 -4.952 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.667 -10.584 -4.301 1.00 0.00 C ATOM 0 H ILE A 703 45.646 -7.512 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 703 47.510 -9.420 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 703 45.665 -9.414 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.221 -10.739 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.694 -9.096 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.874 -11.882 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.456 -11.122 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.040 -11.712 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.862 -10.706 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.357 -9.879 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.892 -11.547 -4.759 1.00 0.00 H new ATOM 326 N GLY A 704 48.108 -8.081 -6.039 1.00 0.00 N ATOM 327 CA GLY A 704 49.116 -7.946 -7.087 1.00 0.00 C ATOM 328 C GLY A 704 50.198 -6.950 -6.678 1.00 0.00 C ATOM 329 O GLY A 704 51.384 -7.178 -6.920 1.00 0.00 O ATOM 0 H GLY A 704 47.259 -7.539 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.568 -8.917 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.643 -7.616 -8.012 1.00 0.00 H new ATOM 333 N LEU A 705 49.798 -5.939 -5.908 1.00 0.00 N ATOM 334 CA LEU A 705 50.743 -4.950 -5.395 1.00 0.00 C ATOM 335 C LEU A 705 51.684 -5.571 -4.369 1.00 0.00 C ATOM 336 O LEU A 705 52.841 -5.166 -4.258 1.00 0.00 O ATOM 337 CB LEU A 705 49.980 -3.789 -4.752 1.00 0.00 C ATOM 338 CG LEU A 705 49.205 -3.038 -5.835 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.211 -2.079 -5.178 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.182 -2.244 -6.704 1.00 0.00 C ATOM 0 H LEU A 705 48.830 -5.784 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 705 51.338 -4.583 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.295 -4.165 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.674 -3.115 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 705 48.664 -3.752 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.658 -1.543 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.515 -2.645 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.751 -1.365 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.630 -1.709 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.723 -1.530 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.890 -2.927 -7.172 1.00 0.00 H new ATOM 352 N MET A 706 51.230 -6.647 -3.730 1.00 0.00 N ATOM 353 CA MET A 706 52.034 -7.325 -2.716 1.00 0.00 C ATOM 354 C MET A 706 53.306 -7.904 -3.333 1.00 0.00 C ATOM 355 O MET A 706 54.362 -7.913 -2.700 1.00 0.00 O ATOM 356 CB MET A 706 51.221 -8.451 -2.069 1.00 0.00 C ATOM 357 CG MET A 706 51.135 -8.219 -0.560 1.00 0.00 C ATOM 358 SD MET A 706 50.147 -9.534 0.197 1.00 0.00 S ATOM 359 CE MET A 706 49.740 -8.658 1.728 1.00 0.00 C ATOM 0 H MET A 706 50.315 -7.066 -3.895 1.00 0.00 H new ATOM 0 HA MET A 706 52.313 -6.595 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.220 -8.485 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.688 -9.414 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.135 -8.205 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.685 -7.248 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.122 -9.297 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.659 -8.404 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.194 -7.745 1.491 1.00 0.00 H new ATOM 369 N VAL A 707 53.216 -8.289 -4.604 1.00 0.00 N ATOM 370 CA VAL A 707 54.372 -8.822 -5.318 1.00 0.00 C ATOM 371 C VAL A 707 55.491 -7.784 -5.377 1.00 0.00 C ATOM 372 O VAL A 707 56.622 -8.063 -4.975 1.00 0.00 O ATOM 373 CB VAL A 707 53.967 -9.228 -6.740 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.199 -9.736 -7.497 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.914 -10.340 -6.679 1.00 0.00 C ATOM 0 H VAL A 707 52.360 -8.242 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 707 54.736 -9.699 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 707 53.551 -8.363 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.911 -10.025 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.948 -8.946 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.615 -10.599 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.628 -10.626 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 707 53.328 -11.205 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 707 52.036 -9.981 -6.142 1.00 0.00 H new ATOM 385 N GLY A 708 55.121 -6.545 -5.691 1.00 0.00 N ATOM 386 CA GLY A 708 56.086 -5.449 -5.726 1.00 0.00 C ATOM 387 C GLY A 708 56.161 -4.742 -4.375 1.00 0.00 C ATOM 388 O GLY A 708 56.939 -3.801 -4.202 1.00 0.00 O ATOM 0 H GLY A 708 54.165 -6.275 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 708 57.070 -5.834 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.802 -4.735 -6.499 1.00 0.00 H new ATOM 392 N GLY A 709 55.412 -5.253 -3.400 1.00 0.00 N ATOM 393 CA GLY A 709 55.364 -4.641 -2.076 1.00 0.00 C ATOM 394 C GLY A 709 56.451 -5.211 -1.170 1.00 0.00 C ATOM 395 O GLY A 709 56.377 -5.090 0.054 1.00 0.00 O ATOM 0 H GLY A 709 54.832 -6.086 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.489 -3.562 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.385 -4.812 -1.628 1.00 0.00 H new ATOM 399 N VAL A 710 57.498 -5.760 -1.782 1.00 0.00 N ATOM 400 CA VAL A 710 58.603 -6.347 -1.026 1.00 0.00 C ATOM 401 C VAL A 710 59.636 -5.281 -0.670 1.00 0.00 C ATOM 402 O VAL A 710 60.204 -5.296 0.423 1.00 0.00 O ATOM 403 CB VAL A 710 59.272 -7.460 -1.843 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.414 -8.729 -1.780 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.424 -7.016 -3.303 1.00 0.00 C ATOM 0 H VAL A 710 57.605 -5.811 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 710 58.201 -6.769 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 710 60.258 -7.666 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.890 -9.519 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.315 -9.050 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.426 -8.521 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.900 -7.811 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.441 -6.803 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.040 -6.118 -3.348 1.00 0.00 H new ATOM 415 N VAL A 711 59.839 -4.331 -1.580 1.00 0.00 N ATOM 416 CA VAL A 711 60.808 -3.261 -1.356 1.00 0.00 C ATOM 417 C VAL A 711 60.318 -2.319 -0.260 1.00 0.00 C ATOM 418 O VAL A 711 60.996 -2.135 0.752 1.00 0.00 O ATOM 419 CB VAL A 711 61.048 -2.468 -2.651 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.183 -3.119 -3.446 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.772 -2.449 -3.502 1.00 0.00 C ATOM 0 H VAL A 711 59.349 -4.280 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 711 61.747 -3.715 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 711 61.320 -1.444 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.353 -2.557 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 711 63.093 -3.119 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.912 -4.145 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.953 -1.885 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.489 -3.470 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.966 -1.978 -2.939 1.00 0.00 H new ATOM 431 N ILE A 712 59.043 -1.948 -0.347 1.00 0.00 N ATOM 432 CA ILE A 712 58.452 -1.032 0.625 1.00 0.00 C ATOM 433 C ILE A 712 58.298 -1.714 1.981 1.00 0.00 C ATOM 434 O ILE A 712 58.412 -1.069 3.024 1.00 0.00 O ATOM 435 CB ILE A 712 57.082 -0.554 0.129 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.129 -1.751 0.007 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.238 0.117 -1.242 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.755 -1.272 -0.467 1.00 0.00 C ATOM 0 H ILE A 712 58.403 -2.265 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 712 59.115 -0.174 0.738 1.00 0.00 H new ATOM 0 HB ILE A 712 56.672 0.163 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.533 -2.479 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.037 -2.254 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.264 0.456 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.910 0.971 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.651 -0.599 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.082 -2.125 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.350 -0.560 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.854 -0.789 -1.439 1.00 0.00 H new ATOM 450 N ALA A 713 58.171 -3.040 1.957 1.00 0.00 N ATOM 451 CA ALA A 713 58.080 -3.815 3.190 1.00 0.00 C ATOM 452 C ALA A 713 59.344 -3.638 4.026 1.00 0.00 C ATOM 453 O ALA A 713 59.286 -3.062 5.112 1.00 0.00 O ATOM 454 CB ALA A 713 57.880 -5.298 2.859 1.00 0.00 C ATOM 0 H ALA A 713 58.129 -3.596 1.103 1.00 0.00 H new ATOM 0 HA ALA A 713 57.227 -3.455 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.813 -5.871 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.960 -5.422 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.724 -5.657 2.270 1.00 0.00 H new ATOM 460 N THR A 714 60.490 -3.829 3.378 1.00 0.00 N ATOM 461 CA THR A 714 61.777 -3.726 4.062 1.00 0.00 C ATOM 462 C THR A 714 61.978 -2.318 4.618 1.00 0.00 C ATOM 463 O THR A 714 62.350 -2.154 5.781 1.00 0.00 O ATOM 464 CB THR A 714 62.910 -4.057 3.085 1.00 0.00 C ATOM 465 OG1 THR A 714 62.520 -5.143 2.258 1.00 0.00 O ATOM 466 CG2 THR A 714 64.170 -4.438 3.867 1.00 0.00 C ATOM 0 H THR A 714 60.555 -4.055 2.385 1.00 0.00 H new ATOM 0 HA THR A 714 61.788 -4.435 4.890 1.00 0.00 H new ATOM 0 HB THR A 714 63.119 -3.184 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.244 -5.354 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.974 -4.673 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.471 -3.604 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.963 -5.309 4.489 1.00 0.00 H new ATOM 474 N VAL A 715 61.500 -1.329 3.867 1.00 0.00 N ATOM 475 CA VAL A 715 61.632 0.067 4.270 1.00 0.00 C ATOM 476 C VAL A 715 60.807 0.340 5.524 1.00 0.00 C ATOM 477 O VAL A 715 61.354 0.722 6.561 1.00 0.00 O ATOM 478 CB VAL A 715 61.157 0.978 3.131 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.258 2.445 3.564 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.028 0.749 1.891 1.00 0.00 C ATOM 0 H VAL A 715 61.019 -1.469 2.978 1.00 0.00 H new ATOM 0 HA VAL A 715 62.680 0.272 4.489 1.00 0.00 H new ATOM 0 HB VAL A 715 60.119 0.743 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.920 3.088 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.633 2.609 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.294 2.682 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.689 1.397 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.067 0.979 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.949 -0.292 1.578 1.00 0.00 H new ATOM 490 N ILE A 716 59.552 -0.098 5.490 1.00 0.00 N ATOM 491 CA ILE A 716 58.648 0.092 6.619 1.00 0.00 C ATOM 492 C ILE A 716 59.098 -0.751 7.809 1.00 0.00 C ATOM 493 O ILE A 716 59.182 -0.251 8.931 1.00 0.00 O ATOM 494 CB ILE A 716 57.223 -0.304 6.210 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.681 0.710 5.195 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.317 -0.324 7.448 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.615 0.044 4.320 1.00 0.00 C ATOM 0 H ILE A 716 59.139 -0.586 4.695 1.00 0.00 H new ATOM 0 HA ILE A 716 58.664 1.142 6.910 1.00 0.00 H new ATOM 0 HB ILE A 716 57.240 -1.296 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.255 1.568 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.493 1.086 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.306 -0.606 7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.700 -1.047 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.300 0.667 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.232 0.767 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.056 -0.799 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.798 -0.310 4.948 1.00 0.00 H new ATOM 509 N VAL A 717 59.574 -1.959 7.518 1.00 0.00 N ATOM 510 CA VAL A 717 59.961 -2.896 8.568 1.00 0.00 C ATOM 511 C VAL A 717 61.185 -2.378 9.317 1.00 0.00 C ATOM 512 O VAL A 717 61.167 -2.260 10.542 1.00 0.00 O ATOM 513 CB VAL A 717 60.271 -4.268 7.956 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.909 -5.174 9.016 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.976 -4.913 7.450 1.00 0.00 C ATOM 0 H VAL A 717 59.700 -2.310 6.569 1.00 0.00 H new ATOM 0 HA VAL A 717 59.133 -2.994 9.271 1.00 0.00 H new ATOM 0 HB VAL A 717 60.962 -4.140 7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.128 -6.148 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.834 -4.721 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.220 -5.298 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.200 -5.887 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.282 -5.037 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.523 -4.274 6.692 1.00 0.00 H new ATOM 525 N ILE A 718 62.187 -1.940 8.557 1.00 0.00 N ATOM 526 CA ILE A 718 63.402 -1.385 9.147 1.00 0.00 C ATOM 527 C ILE A 718 63.064 -0.212 10.065 1.00 0.00 C ATOM 528 O ILE A 718 63.488 -0.183 11.221 1.00 0.00 O ATOM 529 CB ILE A 718 64.349 -0.918 8.030 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.032 -2.137 7.400 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.413 0.023 8.608 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.698 -1.733 6.081 1.00 0.00 C ATOM 0 H ILE A 718 62.181 -1.959 7.537 1.00 0.00 H new ATOM 0 HA ILE A 718 63.891 -2.158 9.739 1.00 0.00 H new ATOM 0 HB ILE A 718 63.775 -0.386 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.777 -2.543 8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.300 -2.925 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.081 0.350 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.927 0.891 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.988 -0.503 9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.182 -2.603 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.943 -1.348 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.443 -0.960 6.271 1.00 0.00 H new ATOM 544 N THR A 719 62.147 0.636 9.611 1.00 0.00 N ATOM 545 CA THR A 719 61.710 1.778 10.407 1.00 0.00 C ATOM 546 C THR A 719 60.948 1.308 11.644 1.00 0.00 C ATOM 547 O THR A 719 61.205 1.778 12.752 1.00 0.00 O ATOM 548 CB THR A 719 60.810 2.686 9.562 1.00 0.00 C ATOM 549 OG1 THR A 719 61.535 3.146 8.431 1.00 0.00 O ATOM 550 CG2 THR A 719 60.353 3.885 10.398 1.00 0.00 C ATOM 0 H THR A 719 61.694 0.555 8.701 1.00 0.00 H new ATOM 0 HA THR A 719 62.590 2.335 10.728 1.00 0.00 H new ATOM 0 HB THR A 719 59.936 2.124 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.552 2.445 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.713 4.528 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.796 3.532 11.266 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.224 4.450 10.731 1.00 0.00 H new ATOM 558 N LEU A 720 60.167 0.245 11.472 1.00 0.00 N ATOM 559 CA LEU A 720 59.366 -0.294 12.566 1.00 0.00 C ATOM 560 C LEU A 720 60.263 -0.901 13.642 1.00 0.00 C ATOM 561 O LEU A 720 59.854 -1.034 14.796 1.00 0.00 O ATOM 562 CB LEU A 720 58.410 -1.368 12.029 1.00 0.00 C ATOM 563 CG LEU A 720 56.957 -0.902 12.191 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.696 0.309 11.286 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.009 -2.046 11.809 1.00 0.00 C ATOM 0 H LEU A 720 60.072 -0.258 10.590 1.00 0.00 H new ATOM 0 HA LEU A 720 58.791 0.520 13.008 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.623 -1.564 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.563 -2.304 12.566 1.00 0.00 H new ATOM 0 HG LEU A 720 56.783 -0.616 13.228 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.663 0.636 11.405 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.368 1.121 11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.871 0.031 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 720 54.976 -1.716 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.185 -2.334 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.191 -2.902 12.459 1.00 0.00 H new ATOM 577 N VAL A 721 61.419 -1.411 13.222 1.00 0.00 N ATOM 578 CA VAL A 721 62.395 -1.948 14.166 1.00 0.00 C ATOM 579 C VAL A 721 62.974 -0.826 15.025 1.00 0.00 C ATOM 580 O VAL A 721 62.934 -0.899 16.255 1.00 0.00 O ATOM 581 CB VAL A 721 63.527 -2.658 13.413 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.451 -3.354 14.418 1.00 0.00 C ATOM 583 CG2 VAL A 721 62.934 -3.702 12.459 1.00 0.00 C ATOM 0 H VAL A 721 61.701 -1.463 12.243 1.00 0.00 H new ATOM 0 HA VAL A 721 61.891 -2.667 14.812 1.00 0.00 H new ATOM 0 HB VAL A 721 64.096 -1.925 12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.256 -3.859 13.883 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.875 -2.613 15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.881 -4.086 14.990 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.740 -4.206 11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.364 -4.435 13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.277 -3.209 11.743 1.00 0.00 H new ATOM 593 N MET A 722 63.239 0.305 14.379 1.00 0.00 N ATOM 594 CA MET A 722 63.812 1.459 15.063 1.00 0.00 C ATOM 595 C MET A 722 62.768 2.149 15.933 1.00 0.00 C ATOM 596 O MET A 722 63.102 2.755 16.952 1.00 0.00 O ATOM 597 CB MET A 722 64.352 2.452 14.033 1.00 0.00 C ATOM 598 CG MET A 722 65.478 1.790 13.237 1.00 0.00 C ATOM 599 SD MET A 722 65.648 2.614 11.635 1.00 0.00 S ATOM 600 CE MET A 722 66.996 3.732 12.090 1.00 0.00 C ATOM 0 H MET A 722 63.066 0.447 13.384 1.00 0.00 H new ATOM 0 HA MET A 722 64.623 1.111 15.703 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.553 2.768 13.362 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.722 3.347 14.533 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.415 1.852 13.791 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.262 0.731 13.093 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.265 4.346 11.231 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.675 4.375 12.909 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.862 3.149 12.405 1.00 0.00 H new ATOM 610 N LEU A 723 61.499 1.974 15.574 1.00 0.00 N ATOM 611 CA LEU A 723 60.413 2.604 16.315 1.00 0.00 C ATOM 612 C LEU A 723 60.398 2.111 17.759 1.00 0.00 C ATOM 613 O LEU A 723 60.166 2.888 18.688 1.00 0.00 O ATOM 614 CB LEU A 723 59.071 2.284 15.646 1.00 0.00 C ATOM 615 CG LEU A 723 57.924 2.883 16.468 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.992 4.411 16.404 1.00 0.00 C ATOM 617 CD2 LEU A 723 56.588 2.404 15.894 1.00 0.00 C ATOM 0 H LEU A 723 61.200 1.406 14.781 1.00 0.00 H new ATOM 0 HA LEU A 723 60.570 3.683 16.313 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.054 2.687 14.633 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.945 1.205 15.561 1.00 0.00 H new ATOM 0 HG LEU A 723 58.011 2.562 17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.176 4.836 16.989 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.945 4.750 16.810 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.903 4.736 15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 723 55.769 2.828 16.476 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.501 2.727 14.857 1.00 0.00 H new ATOM 0 HD23 LEU A 723 56.541 1.316 15.941 1.00 0.00 H new ATOM 629 N LYS A 724 60.612 0.811 17.936 1.00 0.00 N ATOM 630 CA LYS A 724 60.642 0.223 19.270 1.00 0.00 C ATOM 631 C LYS A 724 61.391 -1.108 19.255 1.00 0.00 C ATOM 632 O LYS A 724 62.457 -1.229 19.858 1.00 0.00 O ATOM 633 CB LYS A 724 59.212 0.014 19.779 1.00 0.00 C ATOM 634 CG LYS A 724 59.245 -0.700 21.135 1.00 0.00 C ATOM 635 CD LYS A 724 57.968 -0.376 21.918 1.00 0.00 C ATOM 636 CE LYS A 724 56.746 -0.892 21.151 1.00 0.00 C ATOM 637 NZ LYS A 724 55.546 -0.845 22.035 1.00 0.00 N1+ ATOM 0 H LYS A 724 60.766 0.148 17.177 1.00 0.00 H new ATOM 0 HA LYS A 724 61.165 0.906 19.939 1.00 0.00 H new ATOM 0 HB2 LYS A 724 58.706 0.975 19.875 1.00 0.00 H new ATOM 0 HB3 LYS A 724 58.643 -0.576 19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 724 59.330 -1.777 20.988 1.00 0.00 H new ATOM 0 HG3 LYS A 724 60.121 -0.385 21.702 1.00 0.00 H new ATOM 0 HD2 LYS A 724 58.010 -0.835 22.906 1.00 0.00 H new ATOM 0 HD3 LYS A 724 57.886 0.700 22.070 1.00 0.00 H new ATOM 0 HE2 LYS A 724 56.579 -0.285 20.261 1.00 0.00 H new ATOM 0 HE3 LYS A 724 56.921 -1.913 20.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 54.717 -1.195 21.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 55.707 -1.442 22.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 55.376 0.135 22.337 1.00 0.00 H new ATOM 651 N LYS A 725 60.810 -2.113 18.598 1.00 0.00 N ATOM 652 CA LYS A 725 61.278 -3.489 18.773 1.00 0.00 C ATOM 653 C LYS A 725 62.662 -3.658 18.148 1.00 0.00 C ATOM 654 O LYS A 725 62.792 -3.701 16.925 1.00 0.00 O ATOM 655 CB LYS A 725 60.305 -4.493 18.129 1.00 0.00 C ATOM 656 CG LYS A 725 58.886 -3.915 18.066 1.00 0.00 C ATOM 657 CD LYS A 725 57.930 -4.979 17.508 1.00 0.00 C ATOM 658 CE LYS A 725 57.043 -5.522 18.632 1.00 0.00 C ATOM 659 NZ LYS A 725 56.209 -6.642 18.109 1.00 0.00 N1+ ATOM 0 H LYS A 725 60.029 -2.004 17.951 1.00 0.00 H new ATOM 0 HA LYS A 725 61.330 -3.689 19.843 1.00 0.00 H new ATOM 0 HB2 LYS A 725 60.646 -4.742 17.124 1.00 0.00 H new ATOM 0 HB3 LYS A 725 60.300 -5.420 18.703 1.00 0.00 H new ATOM 0 HG2 LYS A 725 58.563 -3.604 19.060 1.00 0.00 H new ATOM 0 HG3 LYS A 725 58.870 -3.027 17.434 1.00 0.00 H new ATOM 0 HD2 LYS A 725 57.312 -4.548 16.721 1.00 0.00 H new ATOM 0 HD3 LYS A 725 58.499 -5.792 17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 725 57.660 -5.870 19.461 1.00 0.00 H new ATOM 0 HE3 LYS A 725 56.404 -4.729 19.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 55.606 -7.011 18.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 55.611 -6.296 17.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 56.828 -7.401 17.758 1.00 0.00 H new ATOM 673 N LYS A 726 63.693 -3.531 18.979 1.00 0.00 N ATOM 674 CA LYS A 726 65.067 -3.557 18.489 1.00 0.00 C ATOM 675 C LYS A 726 65.554 -4.996 18.335 1.00 0.00 C ATOM 676 O LYS A 726 65.334 -5.831 19.213 1.00 0.00 O ATOM 677 CB LYS A 726 65.979 -2.803 19.461 1.00 0.00 C ATOM 678 CG LYS A 726 67.434 -2.898 18.988 1.00 0.00 C ATOM 679 CD LYS A 726 68.237 -1.716 19.544 1.00 0.00 C ATOM 680 CE LYS A 726 68.365 -0.630 18.471 1.00 0.00 C ATOM 681 NZ LYS A 726 68.777 0.652 19.110 1.00 0.00 N1+ ATOM 0 H LYS A 726 63.604 -3.410 19.988 1.00 0.00 H new ATOM 0 HA LYS A 726 65.098 -3.072 17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 726 65.675 -1.758 19.523 1.00 0.00 H new ATOM 0 HB3 LYS A 726 65.884 -3.223 20.463 1.00 0.00 H new ATOM 0 HG2 LYS A 726 67.874 -3.838 19.321 1.00 0.00 H new ATOM 0 HG3 LYS A 726 67.473 -2.896 17.899 1.00 0.00 H new ATOM 0 HD2 LYS A 726 67.743 -1.312 20.428 1.00 0.00 H new ATOM 0 HD3 LYS A 726 69.226 -2.051 19.857 1.00 0.00 H new ATOM 0 HE2 LYS A 726 69.099 -0.928 17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 726 67.415 -0.502 17.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 68.864 1.390 18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 68.061 0.937 19.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 69.693 0.524 19.585 1.00 0.00 H new ATOM 695 N GLN A 727 66.134 -5.294 17.174 1.00 0.00 N ATOM 696 CA GLN A 727 66.789 -6.581 16.961 1.00 0.00 C ATOM 697 C GLN A 727 68.150 -6.611 17.662 1.00 0.00 C ATOM 698 O GLN A 727 68.234 -6.372 18.869 1.00 0.00 O ATOM 699 CB GLN A 727 66.963 -6.832 15.458 1.00 0.00 C ATOM 700 CG GLN A 727 65.590 -7.036 14.808 1.00 0.00 C ATOM 701 CD GLN A 727 65.745 -7.208 13.299 1.00 0.00 C ATOM 702 OE1 GLN A 727 65.022 -6.579 12.524 1.00 0.00 O ATOM 703 NE2 GLN A 727 66.619 -8.058 12.834 1.00 0.00 N ATOM 0 H GLN A 727 66.163 -4.665 16.371 1.00 0.00 H new ATOM 0 HA GLN A 727 66.165 -7.368 17.385 1.00 0.00 H new ATOM 0 HB2 GLN A 727 67.474 -5.988 14.995 1.00 0.00 H new ATOM 0 HB3 GLN A 727 67.587 -7.711 15.296 1.00 0.00 H new ATOM 0 HG2 GLN A 727 65.104 -7.914 15.234 1.00 0.00 H new ATOM 0 HG3 GLN A 727 64.948 -6.181 15.020 1.00 0.00 H new ATOM 0 HE21 GLN A 727 67.217 -8.578 13.477 1.00 0.00 H new ATOM 0 HE22 GLN A 727 66.705 -8.203 11.828 1.00 0.00 H new ATOM 712 N TYR A 728 69.219 -6.769 16.880 1.00 0.00 N ATOM 713 CA TYR A 728 70.565 -6.875 17.439 1.00 0.00 C ATOM 714 C TYR A 728 70.622 -7.962 18.508 1.00 0.00 C ATOM 715 O TYR A 728 70.461 -9.147 18.212 1.00 0.00 O ATOM 716 CB TYR A 728 70.990 -5.531 18.047 1.00 0.00 C ATOM 717 CG TYR A 728 72.127 -4.946 17.242 1.00 0.00 C ATOM 718 CD1 TYR A 728 73.448 -5.288 17.558 1.00 0.00 C ATOM 719 CD2 TYR A 728 71.849 -4.252 16.057 1.00 0.00 C ATOM 720 CE1 TYR A 728 74.493 -4.900 16.712 1.00 0.00 C ATOM 721 CE2 TYR A 728 72.896 -3.859 15.215 1.00 0.00 C ATOM 722 CZ TYR A 728 74.220 -4.154 15.560 1.00 0.00 C ATOM 723 OH TYR A 728 75.256 -3.717 14.759 1.00 0.00 O ATOM 0 H TYR A 728 69.178 -6.826 15.862 1.00 0.00 H new ATOM 0 HA TYR A 728 71.250 -7.141 16.633 1.00 0.00 H new ATOM 0 HB2 TYR A 728 70.146 -4.842 18.056 1.00 0.00 H new ATOM 0 HB3 TYR A 728 71.299 -5.671 19.083 1.00 0.00 H new ATOM 0 HD1 TYR A 728 73.660 -5.851 18.455 1.00 0.00 H new ATOM 0 HD2 TYR A 728 70.828 -4.020 15.793 1.00 0.00 H new ATOM 0 HE1 TYR A 728 75.510 -5.176 16.948 1.00 0.00 H new ATOM 0 HE2 TYR A 728 72.682 -3.328 14.299 1.00 0.00 H new ATOM 0 HH TYR A 728 74.893 -3.215 14.000 1.00 0.00 H new TER 733 TYR A 728