USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 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 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 SER OG : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 MET CE :methyl -170:sc= -1.6! (180deg=-1.73) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 643 SER OG : rot 160:sc= 0 USER MOD Single : A 651 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl -177:sc= 0 (180deg=-0.00704) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -27.732 7.545 2.089 1.00 0.00 N ATOM 2 CA GLY A 611 -27.182 6.715 3.169 1.00 0.00 C ATOM 3 C GLY A 611 -25.756 6.338 2.843 1.00 0.00 C ATOM 4 O GLY A 611 -25.531 5.381 2.100 1.00 0.00 O ATOM 0 HA2 GLY A 611 -27.218 7.258 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -27.787 5.817 3.295 1.00 0.00 H new ATOM 8 N SER A 612 -24.796 7.127 3.311 1.00 0.00 N ATOM 9 CA SER A 612 -23.387 6.889 3.084 1.00 0.00 C ATOM 10 C SER A 612 -22.883 5.829 4.059 1.00 0.00 C ATOM 11 O SER A 612 -22.407 6.161 5.146 1.00 0.00 O ATOM 12 CB SER A 612 -22.615 8.200 3.245 1.00 0.00 C ATOM 13 OG SER A 612 -23.138 9.178 2.365 1.00 0.00 O ATOM 0 H SER A 612 -24.984 7.961 3.867 1.00 0.00 H new ATOM 0 HA SER A 612 -23.231 6.521 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 612 -22.686 8.550 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 612 -21.558 8.038 3.035 1.00 0.00 H new ATOM 0 HG SER A 612 -22.641 10.015 2.474 1.00 0.00 H new ATOM 19 N ILE A 613 -23.042 4.548 3.725 1.00 0.00 N ATOM 20 CA ILE A 613 -22.557 3.478 4.591 1.00 0.00 C ATOM 21 C ILE A 613 -21.032 3.537 4.582 1.00 0.00 C ATOM 22 O ILE A 613 -20.442 4.045 3.616 1.00 0.00 O ATOM 23 CB ILE A 613 -23.097 2.095 4.176 1.00 0.00 C ATOM 24 CG1 ILE A 613 -22.557 1.457 2.879 1.00 0.00 C ATOM 25 CG2 ILE A 613 -24.620 2.156 4.179 1.00 0.00 C ATOM 26 CD1 ILE A 613 -22.474 2.337 1.634 1.00 0.00 C ATOM 0 H ILE A 613 -23.498 4.230 2.870 1.00 0.00 H new ATOM 0 HA ILE A 613 -22.927 3.624 5.606 1.00 0.00 H new ATOM 0 HB ILE A 613 -22.704 1.407 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -21.558 1.073 3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -23.185 0.599 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -25.024 1.186 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -24.972 2.410 5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -24.955 2.915 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -22.077 1.755 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -23.469 2.702 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -21.816 3.184 1.830 1.00 0.00 H new ATOM 38 N PRO A 614 -20.356 3.009 5.607 1.00 0.00 N ATOM 39 CA PRO A 614 -18.921 3.080 5.596 1.00 0.00 C ATOM 40 C PRO A 614 -18.327 2.176 4.516 1.00 0.00 C ATOM 41 O PRO A 614 -18.893 1.143 4.137 1.00 0.00 O ATOM 42 CB PRO A 614 -18.479 2.714 7.001 1.00 0.00 C ATOM 43 CG PRO A 614 -19.590 1.785 7.475 1.00 0.00 C ATOM 44 CD PRO A 614 -20.837 2.388 6.830 1.00 0.00 C ATOM 0 HA PRO A 614 -18.561 4.076 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -17.509 2.218 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -18.388 3.594 7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -19.424 0.758 7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -19.666 1.767 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -21.583 1.622 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -21.308 3.119 7.487 1.00 0.00 H new ATOM 52 N CYS A 615 -17.140 2.579 4.071 1.00 0.00 N ATOM 53 CA CYS A 615 -16.350 1.928 3.040 1.00 0.00 C ATOM 54 C CYS A 615 -16.045 0.494 3.455 1.00 0.00 C ATOM 55 O CYS A 615 -15.934 0.201 4.652 1.00 0.00 O ATOM 56 CB CYS A 615 -15.048 2.710 2.797 1.00 0.00 C ATOM 57 SG CYS A 615 -15.045 4.456 3.300 1.00 0.00 S ATOM 0 H CYS A 615 -16.683 3.412 4.442 1.00 0.00 H new ATOM 0 HA CYS A 615 -16.918 1.911 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.241 2.202 3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -14.814 2.661 1.734 1.00 0.00 H new ATOM 62 N LEU A 616 -15.911 -0.402 2.476 1.00 0.00 N ATOM 63 CA LEU A 616 -15.612 -1.799 2.738 1.00 0.00 C ATOM 64 C LEU A 616 -14.772 -2.324 1.587 1.00 0.00 C ATOM 65 O LEU A 616 -15.266 -2.642 0.504 1.00 0.00 O ATOM 66 CB LEU A 616 -16.910 -2.580 3.035 1.00 0.00 C ATOM 67 CG LEU A 616 -16.749 -4.010 3.580 1.00 0.00 C ATOM 68 CD1 LEU A 616 -16.378 -5.023 2.498 1.00 0.00 C ATOM 69 CD2 LEU A 616 -15.742 -4.093 4.735 1.00 0.00 C ATOM 0 H LEU A 616 -16.007 -0.175 1.486 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.015 -1.932 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -17.495 -2.006 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.494 -2.630 2.116 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.734 -4.273 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -16.279 -6.012 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -17.158 -5.045 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -15.432 -4.735 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -15.668 -5.124 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -14.765 -3.755 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -16.077 -3.459 5.556 1.00 0.00 H new ATOM 81 N LEU A 617 -13.472 -2.395 1.828 1.00 0.00 N ATOM 82 CA LEU A 617 -12.459 -2.843 0.896 1.00 0.00 C ATOM 83 C LEU A 617 -11.707 -4.018 1.506 1.00 0.00 C ATOM 84 O LEU A 617 -12.018 -4.458 2.616 1.00 0.00 O ATOM 85 CB LEU A 617 -11.510 -1.670 0.602 1.00 0.00 C ATOM 86 CG LEU A 617 -12.258 -0.406 0.123 1.00 0.00 C ATOM 87 CD1 LEU A 617 -12.392 0.647 1.227 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.525 0.212 -1.059 1.00 0.00 C ATOM 0 H LEU A 617 -13.078 -2.126 2.730 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.910 -3.173 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -10.942 -1.433 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.790 -1.972 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.261 -0.720 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -12.925 1.515 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.946 0.226 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -11.400 0.950 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -12.058 1.103 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.514 0.485 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.478 -0.509 -1.875 1.00 0.00 H new ATOM 100 N SER A 618 -10.786 -4.605 0.749 1.00 0.00 N ATOM 101 CA SER A 618 -9.985 -5.698 1.273 1.00 0.00 C ATOM 102 C SER A 618 -8.879 -5.062 2.133 1.00 0.00 C ATOM 103 O SER A 618 -8.606 -3.857 2.017 1.00 0.00 O ATOM 104 CB SER A 618 -9.414 -6.516 0.109 1.00 0.00 C ATOM 105 OG SER A 618 -10.431 -7.363 -0.392 1.00 0.00 O ATOM 0 H SER A 618 -10.580 -4.345 -0.215 1.00 0.00 H new ATOM 0 HA SER A 618 -10.572 -6.385 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.053 -5.853 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 618 -8.562 -7.107 0.445 1.00 0.00 H new ATOM 0 HG SER A 618 -10.079 -7.891 -1.139 1.00 0.00 H new ATOM 111 N PRO A 619 -8.251 -5.826 3.037 1.00 0.00 N ATOM 112 CA PRO A 619 -7.175 -5.287 3.849 1.00 0.00 C ATOM 113 C PRO A 619 -5.957 -5.119 2.938 1.00 0.00 C ATOM 114 O PRO A 619 -5.927 -5.625 1.808 1.00 0.00 O ATOM 115 CB PRO A 619 -6.928 -6.322 4.946 1.00 0.00 C ATOM 116 CG PRO A 619 -7.345 -7.630 4.278 1.00 0.00 C ATOM 117 CD PRO A 619 -8.453 -7.240 3.305 1.00 0.00 C ATOM 0 HA PRO A 619 -7.398 -4.320 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.883 -6.341 5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.521 -6.116 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.506 -8.092 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.701 -8.352 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.395 -7.826 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.437 -7.421 3.737 1.00 0.00 H new ATOM 125 N TRP A 620 -4.960 -4.377 3.401 1.00 0.00 N ATOM 126 CA TRP A 620 -3.759 -4.188 2.615 1.00 0.00 C ATOM 127 C TRP A 620 -3.002 -5.511 2.588 1.00 0.00 C ATOM 128 O TRP A 620 -2.967 -6.245 3.582 1.00 0.00 O ATOM 129 CB TRP A 620 -2.897 -3.078 3.210 1.00 0.00 C ATOM 130 CG TRP A 620 -3.519 -1.722 3.146 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.153 -1.110 4.163 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.571 -0.792 2.024 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.647 0.104 3.737 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.316 0.355 2.426 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.041 -0.791 0.719 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.557 1.436 1.567 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.249 0.304 -0.139 1.00 0.00 C ATOM 138 CH2 TRP A 620 -4.018 1.407 0.273 1.00 0.00 C ATOM 0 H TRP A 620 -4.962 -3.904 4.305 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.016 -3.887 1.599 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.682 -3.318 4.251 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -1.942 -3.053 2.685 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.259 -1.509 5.161 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -5.191 0.738 4.322 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.469 -1.640 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -5.148 2.278 1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.813 0.298 -1.127 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -4.193 2.229 -0.405 1.00 0.00 H new ATOM 149 N SER A 621 -2.458 -5.858 1.426 1.00 0.00 N ATOM 150 CA SER A 621 -1.671 -7.061 1.252 1.00 0.00 C ATOM 151 C SER A 621 -0.368 -6.811 2.027 1.00 0.00 C ATOM 152 O SER A 621 -0.067 -5.671 2.409 1.00 0.00 O ATOM 153 CB SER A 621 -1.444 -7.294 -0.248 1.00 0.00 C ATOM 154 OG SER A 621 -1.298 -8.665 -0.572 1.00 0.00 O ATOM 0 H SER A 621 -2.555 -5.304 0.575 1.00 0.00 H new ATOM 0 HA SER A 621 -2.155 -7.962 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.283 -6.880 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.552 -6.753 -0.565 1.00 0.00 H new ATOM 0 HG SER A 621 -1.158 -8.760 -1.537 1.00 0.00 H new ATOM 160 N GLU A 622 0.426 -7.841 2.310 1.00 0.00 N ATOM 161 CA GLU A 622 1.650 -7.578 3.051 1.00 0.00 C ATOM 162 C GLU A 622 2.634 -6.770 2.215 1.00 0.00 C ATOM 163 O GLU A 622 2.732 -6.950 0.997 1.00 0.00 O ATOM 164 CB GLU A 622 2.288 -8.856 3.597 1.00 0.00 C ATOM 165 CG GLU A 622 1.603 -9.313 4.892 1.00 0.00 C ATOM 166 CD GLU A 622 1.622 -8.275 6.024 1.00 0.00 C ATOM 167 OE1 GLU A 622 2.356 -7.269 5.948 1.00 0.00 O ATOM 168 OE2 GLU A 622 0.836 -8.440 6.990 1.00 0.00 O ATOM 0 H GLU A 622 0.256 -8.813 2.053 1.00 0.00 H new ATOM 0 HA GLU A 622 1.376 -6.977 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.221 -9.646 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 622 3.348 -8.684 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 622 0.567 -9.570 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 622 2.089 -10.224 5.243 1.00 0.00 H new ATOM 175 N TRP A 623 3.338 -5.865 2.897 1.00 0.00 N ATOM 176 CA TRP A 623 4.335 -5.002 2.296 1.00 0.00 C ATOM 177 C TRP A 623 5.419 -5.824 1.605 1.00 0.00 C ATOM 178 O TRP A 623 5.713 -6.964 1.977 1.00 0.00 O ATOM 179 CB TRP A 623 5.015 -4.151 3.379 1.00 0.00 C ATOM 180 CG TRP A 623 4.398 -2.832 3.705 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.886 -2.437 4.891 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.292 -1.680 2.833 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.516 -1.109 4.816 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.694 -0.605 3.550 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.647 -1.446 1.494 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.398 0.627 2.947 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.362 -0.216 0.896 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.706 0.801 1.592 1.00 0.00 C ATOM 0 H TRP A 623 3.223 -5.715 3.899 1.00 0.00 H new ATOM 0 HA TRP A 623 3.827 -4.369 1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.054 -4.740 4.295 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.045 -3.974 3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.782 -3.064 5.764 1.00 0.00 H new ATOM 0 HE1 TRP A 623 3.155 -0.569 5.603 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.142 -2.219 0.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.942 1.424 3.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.656 -0.048 -0.129 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.437 1.718 1.088 1.00 0.00 H new ATOM 199 N SER A 624 6.065 -5.186 0.638 1.00 0.00 N ATOM 200 CA SER A 624 7.151 -5.716 -0.151 1.00 0.00 C ATOM 201 C SER A 624 8.375 -4.913 0.288 1.00 0.00 C ATOM 202 O SER A 624 8.280 -3.691 0.420 1.00 0.00 O ATOM 203 CB SER A 624 6.770 -5.560 -1.623 1.00 0.00 C ATOM 204 OG SER A 624 7.882 -5.732 -2.480 1.00 0.00 O ATOM 0 H SER A 624 5.825 -4.230 0.374 1.00 0.00 H new ATOM 0 HA SER A 624 7.365 -6.776 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.000 -6.289 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 624 6.339 -4.572 -1.783 1.00 0.00 H new ATOM 0 HG SER A 624 7.597 -5.626 -3.412 1.00 0.00 H new ATOM 210 N ASP A 625 9.504 -5.595 0.481 1.00 0.00 N ATOM 211 CA ASP A 625 10.813 -5.105 0.934 1.00 0.00 C ATOM 212 C ASP A 625 11.083 -3.616 0.687 1.00 0.00 C ATOM 213 O ASP A 625 10.973 -2.827 1.627 1.00 0.00 O ATOM 214 CB ASP A 625 11.924 -6.003 0.378 1.00 0.00 C ATOM 215 CG ASP A 625 13.176 -5.914 1.241 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.226 -6.611 2.281 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.136 -5.198 0.886 1.00 0.00 O ATOM 0 H ASP A 625 9.531 -6.600 0.309 1.00 0.00 H new ATOM 0 HA ASP A 625 10.800 -5.173 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 625 11.577 -7.036 0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.160 -5.706 -0.644 1.00 0.00 H new ATOM 222 N CYS A 626 11.433 -3.249 -0.550 1.00 0.00 N ATOM 223 CA CYS A 626 11.742 -1.923 -1.088 1.00 0.00 C ATOM 224 C CYS A 626 11.919 -2.083 -2.603 1.00 0.00 C ATOM 225 O CYS A 626 12.170 -3.187 -3.085 1.00 0.00 O ATOM 226 CB CYS A 626 13.063 -1.399 -0.512 1.00 0.00 C ATOM 227 SG CYS A 626 12.977 -0.607 1.116 1.00 0.00 S ATOM 0 H CYS A 626 11.515 -3.956 -1.280 1.00 0.00 H new ATOM 0 HA CYS A 626 10.944 -1.226 -0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.763 -2.233 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.483 -0.683 -1.218 1.00 0.00 H new ATOM 232 N SER A 627 11.843 -0.995 -3.369 1.00 0.00 N ATOM 233 CA SER A 627 12.014 -1.009 -4.823 1.00 0.00 C ATOM 234 C SER A 627 13.444 -0.573 -5.182 1.00 0.00 C ATOM 235 O SER A 627 13.656 0.126 -6.171 1.00 0.00 O ATOM 236 CB SER A 627 10.947 -0.121 -5.471 1.00 0.00 C ATOM 237 OG SER A 627 9.651 -0.617 -5.191 1.00 0.00 O ATOM 0 H SER A 627 11.658 -0.065 -2.992 1.00 0.00 H new ATOM 0 HA SER A 627 11.879 -2.018 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.040 0.899 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 627 11.103 -0.083 -6.549 1.00 0.00 H new ATOM 0 HG SER A 627 8.981 -0.038 -5.611 1.00 0.00 H new ATOM 243 N VAL A 628 14.426 -0.904 -4.341 1.00 0.00 N ATOM 244 CA VAL A 628 15.827 -0.567 -4.527 1.00 0.00 C ATOM 245 C VAL A 628 16.673 -1.626 -3.823 1.00 0.00 C ATOM 246 O VAL A 628 16.143 -2.353 -2.979 1.00 0.00 O ATOM 247 CB VAL A 628 16.071 0.854 -3.967 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.243 0.911 -2.441 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.259 1.488 -4.671 1.00 0.00 C ATOM 0 H VAL A 628 14.255 -1.432 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 628 16.107 -0.560 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 628 15.166 1.425 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.410 1.943 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.343 0.529 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.098 0.302 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.426 2.489 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.147 0.878 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 628 17.057 1.552 -5.740 1.00 0.00 H new ATOM 259 N THR A 629 17.969 -1.702 -4.129 1.00 0.00 N ATOM 260 CA THR A 629 18.897 -2.652 -3.514 1.00 0.00 C ATOM 261 C THR A 629 19.945 -1.899 -2.673 1.00 0.00 C ATOM 262 O THR A 629 20.559 -2.480 -1.774 1.00 0.00 O ATOM 263 CB THR A 629 19.494 -3.544 -4.609 1.00 0.00 C ATOM 264 OG1 THR A 629 18.449 -4.102 -5.403 1.00 0.00 O ATOM 265 CG2 THR A 629 20.359 -4.684 -4.078 1.00 0.00 C ATOM 0 H THR A 629 18.410 -1.096 -4.821 1.00 0.00 H new ATOM 0 HA THR A 629 18.381 -3.311 -2.816 1.00 0.00 H new ATOM 0 HB THR A 629 20.142 -2.895 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 629 18.836 -4.669 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 629 20.744 -5.268 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 629 21.192 -4.273 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 629 19.759 -5.326 -3.432 1.00 0.00 H new ATOM 273 N CYS A 630 20.139 -0.599 -2.920 1.00 0.00 N ATOM 274 CA CYS A 630 21.067 0.233 -2.178 1.00 0.00 C ATOM 275 C CYS A 630 20.657 1.694 -2.276 1.00 0.00 C ATOM 276 O CYS A 630 20.157 2.132 -3.317 1.00 0.00 O ATOM 277 CB CYS A 630 22.509 0.073 -2.657 1.00 0.00 C ATOM 278 SG CYS A 630 22.770 0.045 -4.441 1.00 0.00 S ATOM 0 H CYS A 630 19.643 -0.096 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 630 21.027 -0.097 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 630 23.099 0.889 -2.239 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.905 -0.853 -2.240 1.00 0.00 H new ATOM 283 N GLY A 631 20.928 2.437 -1.206 1.00 0.00 N ATOM 284 CA GLY A 631 20.626 3.851 -1.102 1.00 0.00 C ATOM 285 C GLY A 631 19.139 4.119 -0.879 1.00 0.00 C ATOM 286 O GLY A 631 18.383 3.254 -0.428 1.00 0.00 O ATOM 0 H GLY A 631 21.374 2.058 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.196 4.281 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.950 4.356 -2.012 1.00 0.00 H new ATOM 290 N LYS A 632 18.729 5.366 -1.135 1.00 0.00 N ATOM 291 CA LYS A 632 17.351 5.847 -0.998 1.00 0.00 C ATOM 292 C LYS A 632 16.367 4.927 -1.713 1.00 0.00 C ATOM 293 O LYS A 632 16.672 4.366 -2.760 1.00 0.00 O ATOM 294 CB LYS A 632 17.221 7.266 -1.580 1.00 0.00 C ATOM 295 CG LYS A 632 17.747 7.379 -3.027 1.00 0.00 C ATOM 296 CD LYS A 632 17.417 8.707 -3.705 1.00 0.00 C ATOM 297 CE LYS A 632 15.921 8.812 -4.018 1.00 0.00 C ATOM 298 NZ LYS A 632 15.655 9.837 -5.045 1.00 0.00 N ATOM 0 H LYS A 632 19.370 6.093 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 632 17.113 5.858 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.174 7.567 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 632 17.768 7.964 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 632 18.829 7.245 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.328 6.566 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 632 17.715 9.532 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 632 17.992 8.801 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 632 15.551 7.846 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 632 15.374 9.057 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 14.633 9.883 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 15.986 10.763 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 16.158 9.589 -5.921 1.00 0.00 H new ATOM 312 N GLY A 633 15.142 4.851 -1.208 1.00 0.00 N ATOM 313 CA GLY A 633 14.128 4.016 -1.807 1.00 0.00 C ATOM 314 C GLY A 633 12.773 4.276 -1.177 1.00 0.00 C ATOM 315 O GLY A 633 12.586 5.230 -0.413 1.00 0.00 O ATOM 0 H GLY A 633 14.833 5.363 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.079 4.209 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.396 2.967 -1.684 1.00 0.00 H new ATOM 319 N MET A 634 11.801 3.453 -1.540 1.00 0.00 N ATOM 320 CA MET A 634 10.435 3.464 -1.060 1.00 0.00 C ATOM 321 C MET A 634 9.719 2.234 -1.600 1.00 0.00 C ATOM 322 O MET A 634 9.913 1.843 -2.757 1.00 0.00 O ATOM 323 CB MET A 634 9.677 4.741 -1.448 1.00 0.00 C ATOM 324 CG MET A 634 9.512 4.974 -2.949 1.00 0.00 C ATOM 325 SD MET A 634 8.791 6.591 -3.318 1.00 0.00 S ATOM 326 CE MET A 634 7.236 6.458 -2.400 1.00 0.00 C ATOM 0 H MET A 634 11.960 2.712 -2.223 1.00 0.00 H new ATOM 0 HA MET A 634 10.459 3.445 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 634 8.688 4.709 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.198 5.597 -1.020 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.484 4.892 -3.436 1.00 0.00 H new ATOM 0 HG3 MET A 634 8.879 4.192 -3.368 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.587 7.295 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 634 6.741 5.521 -2.657 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.442 6.478 -1.330 1.00 0.00 H new ATOM 336 N ARG A 635 8.925 1.584 -0.761 1.00 0.00 N ATOM 337 CA ARG A 635 8.152 0.406 -1.141 1.00 0.00 C ATOM 338 C ARG A 635 6.752 0.864 -1.492 1.00 0.00 C ATOM 339 O ARG A 635 6.354 1.972 -1.121 1.00 0.00 O ATOM 340 CB ARG A 635 8.130 -0.629 -0.004 1.00 0.00 C ATOM 341 CG ARG A 635 7.943 -0.042 1.397 1.00 0.00 C ATOM 342 CD ARG A 635 7.983 -1.149 2.444 1.00 0.00 C ATOM 343 NE ARG A 635 8.155 -0.567 3.777 1.00 0.00 N ATOM 344 CZ ARG A 635 9.115 -0.863 4.660 1.00 0.00 C ATOM 345 NH1 ARG A 635 10.117 -1.681 4.349 1.00 0.00 N ATOM 346 NH2 ARG A 635 9.058 -0.291 5.853 1.00 0.00 N ATOM 0 H ARG A 635 8.797 1.861 0.212 1.00 0.00 H new ATOM 0 HA ARG A 635 8.610 -0.083 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.326 -1.340 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.064 -1.191 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.726 0.688 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 635 6.992 0.487 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.061 -1.730 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 635 8.802 -1.836 2.229 1.00 0.00 H new ATOM 0 HE ARG A 635 7.473 0.136 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 635 10.165 -2.098 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 635 10.837 -1.891 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 635 8.298 0.353 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 635 9.774 -0.494 6.551 1.00 0.00 H new ATOM 360 N THR A 636 6.009 0.015 -2.193 1.00 0.00 N ATOM 361 CA THR A 636 4.642 0.288 -2.606 1.00 0.00 C ATOM 362 C THR A 636 3.805 -0.982 -2.419 1.00 0.00 C ATOM 363 O THR A 636 4.328 -2.096 -2.554 1.00 0.00 O ATOM 364 CB THR A 636 4.626 0.812 -4.044 1.00 0.00 C ATOM 365 OG1 THR A 636 5.589 0.161 -4.858 1.00 0.00 O ATOM 366 CG2 THR A 636 4.944 2.302 -4.116 1.00 0.00 C ATOM 0 H THR A 636 6.348 -0.898 -2.495 1.00 0.00 H new ATOM 0 HA THR A 636 4.198 1.069 -1.988 1.00 0.00 H new ATOM 0 HB THR A 636 3.616 0.614 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.546 0.522 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.921 2.629 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.203 2.860 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 636 5.935 2.483 -3.700 1.00 0.00 H new ATOM 374 N ARG A 637 2.553 -0.824 -1.981 1.00 0.00 N ATOM 375 CA ARG A 637 1.613 -1.918 -1.776 1.00 0.00 C ATOM 376 C ARG A 637 0.239 -1.416 -2.201 1.00 0.00 C ATOM 377 O ARG A 637 -0.095 -0.255 -1.954 1.00 0.00 O ATOM 378 CB ARG A 637 1.692 -2.551 -0.367 1.00 0.00 C ATOM 379 CG ARG A 637 1.104 -1.780 0.832 1.00 0.00 C ATOM 380 CD ARG A 637 0.772 -2.760 1.964 1.00 0.00 C ATOM 381 NE ARG A 637 0.569 -2.101 3.267 1.00 0.00 N ATOM 382 CZ ARG A 637 0.607 -2.722 4.454 1.00 0.00 C ATOM 383 NH1 ARG A 637 0.698 -4.043 4.541 1.00 0.00 N ATOM 384 NH2 ARG A 637 0.559 -2.005 5.565 1.00 0.00 N ATOM 0 H ARG A 637 2.161 0.090 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 637 1.875 -2.772 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.193 -3.519 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.743 -2.744 -0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.817 -1.033 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.205 -1.244 0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.129 -3.315 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.580 -3.487 2.054 1.00 0.00 H new ATOM 0 HE ARG A 637 0.386 -1.098 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.741 -4.608 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.725 -4.493 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 637 0.494 -0.988 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 637 0.587 -2.469 6.473 1.00 0.00 H new ATOM 398 N GLN A 638 -0.554 -2.282 -2.826 1.00 0.00 N ATOM 399 CA GLN A 638 -1.884 -1.961 -3.324 1.00 0.00 C ATOM 400 C GLN A 638 -2.890 -3.046 -2.966 1.00 0.00 C ATOM 401 O GLN A 638 -2.542 -4.218 -2.790 1.00 0.00 O ATOM 402 CB GLN A 638 -1.822 -1.730 -4.842 1.00 0.00 C ATOM 403 CG GLN A 638 -1.193 -2.908 -5.610 1.00 0.00 C ATOM 404 CD GLN A 638 -0.920 -2.545 -7.062 1.00 0.00 C ATOM 405 OE1 GLN A 638 -1.827 -2.187 -7.812 1.00 0.00 O ATOM 406 NE2 GLN A 638 0.318 -2.630 -7.502 1.00 0.00 N ATOM 0 H GLN A 638 -0.281 -3.249 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.227 -1.045 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.830 -1.557 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.247 -0.826 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.262 -3.203 -5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.861 -3.769 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 638 1.064 -2.928 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 638 0.532 -2.398 -8.472 1.00 0.00 H new ATOM 415 N ARG A 639 -4.155 -2.668 -2.850 1.00 0.00 N ATOM 416 CA ARG A 639 -5.274 -3.537 -2.505 1.00 0.00 C ATOM 417 C ARG A 639 -6.354 -3.413 -3.575 1.00 0.00 C ATOM 418 O ARG A 639 -6.083 -2.943 -4.679 1.00 0.00 O ATOM 419 CB ARG A 639 -5.744 -3.223 -1.076 1.00 0.00 C ATOM 420 CG ARG A 639 -6.258 -1.787 -0.898 1.00 0.00 C ATOM 421 CD ARG A 639 -6.971 -1.700 0.443 1.00 0.00 C ATOM 422 NE ARG A 639 -7.438 -0.345 0.746 1.00 0.00 N ATOM 423 CZ ARG A 639 -8.173 -0.020 1.812 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.578 -0.970 2.655 1.00 0.00 N ATOM 425 NH2 ARG A 639 -8.497 1.255 1.998 1.00 0.00 N ATOM 0 H ARG A 639 -4.444 -1.701 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.980 -4.587 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.536 -3.920 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.918 -3.392 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.430 -1.080 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.938 -1.524 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.821 -2.382 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.296 -2.032 1.232 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.184 0.401 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.326 -1.944 2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -9.140 -0.723 3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -8.185 1.963 1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -9.058 1.526 2.806 1.00 0.00 H new ATOM 439 N MET A 640 -7.553 -3.899 -3.269 1.00 0.00 N ATOM 440 CA MET A 640 -8.720 -3.882 -4.132 1.00 0.00 C ATOM 441 C MET A 640 -9.956 -3.710 -3.235 1.00 0.00 C ATOM 442 O MET A 640 -9.883 -3.969 -2.024 1.00 0.00 O ATOM 443 CB MET A 640 -8.814 -5.224 -4.873 1.00 0.00 C ATOM 444 CG MET A 640 -7.743 -5.546 -5.923 1.00 0.00 C ATOM 445 SD MET A 640 -7.819 -4.576 -7.449 1.00 0.00 S ATOM 446 CE MET A 640 -6.637 -5.506 -8.463 1.00 0.00 C ATOM 0 H MET A 640 -7.742 -4.336 -2.367 1.00 0.00 H new ATOM 0 HA MET A 640 -8.656 -3.073 -4.860 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.799 -6.019 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.786 -5.266 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.762 -5.400 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 640 -7.821 -6.602 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 640 -6.559 -5.043 -9.447 1.00 0.00 H new ATOM 0 HE2 MET A 640 -5.660 -5.500 -7.980 1.00 0.00 H new ATOM 0 HE3 MET A 640 -6.981 -6.534 -8.572 1.00 0.00 H new ATOM 456 N LEU A 641 -11.088 -3.287 -3.802 1.00 0.00 N ATOM 457 CA LEU A 641 -12.343 -3.104 -3.073 1.00 0.00 C ATOM 458 C LEU A 641 -12.993 -4.465 -2.802 1.00 0.00 C ATOM 459 O LEU A 641 -12.643 -5.474 -3.422 1.00 0.00 O ATOM 460 CB LEU A 641 -13.259 -2.093 -3.786 1.00 0.00 C ATOM 461 CG LEU A 641 -14.314 -2.637 -4.771 1.00 0.00 C ATOM 462 CD1 LEU A 641 -15.050 -1.430 -5.354 1.00 0.00 C ATOM 463 CD2 LEU A 641 -13.741 -3.456 -5.931 1.00 0.00 C ATOM 0 H LEU A 641 -11.159 -3.059 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 641 -12.142 -2.661 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -13.782 -1.519 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.624 -1.394 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.959 -3.315 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.808 -1.772 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -15.528 -0.872 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.339 -0.785 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -14.554 -3.797 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -13.057 -2.836 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -13.203 -4.318 -5.537 1.00 0.00 H new ATOM 475 N LYS A 642 -13.963 -4.508 -1.884 1.00 0.00 N ATOM 476 CA LYS A 642 -14.645 -5.745 -1.514 1.00 0.00 C ATOM 477 C LYS A 642 -16.158 -5.560 -1.350 1.00 0.00 C ATOM 478 O LYS A 642 -16.887 -6.552 -1.328 1.00 0.00 O ATOM 479 CB LYS A 642 -13.891 -6.301 -0.291 1.00 0.00 C ATOM 480 CG LYS A 642 -14.130 -7.788 -0.006 1.00 0.00 C ATOM 481 CD LYS A 642 -15.122 -7.991 1.139 1.00 0.00 C ATOM 482 CE LYS A 642 -15.406 -9.478 1.380 1.00 0.00 C ATOM 483 NZ LYS A 642 -16.807 -9.818 1.075 1.00 0.00 N ATOM 0 H LYS A 642 -14.295 -3.686 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.608 -6.490 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.823 -6.141 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.181 -5.726 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -14.507 -8.275 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -13.183 -8.268 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -14.724 -7.543 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -16.054 -7.474 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -14.741 -10.081 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -15.188 -9.727 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -16.964 -10.831 1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -17.440 -9.260 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -17.007 -9.603 0.077 1.00 0.00 H new ATOM 497 N SER A 643 -16.654 -4.326 -1.256 1.00 0.00 N ATOM 498 CA SER A 643 -18.077 -4.053 -1.128 1.00 0.00 C ATOM 499 C SER A 643 -18.702 -4.401 -2.474 1.00 0.00 C ATOM 500 O SER A 643 -18.278 -3.842 -3.488 1.00 0.00 O ATOM 501 CB SER A 643 -18.297 -2.564 -0.814 1.00 0.00 C ATOM 502 OG SER A 643 -19.659 -2.306 -0.519 1.00 0.00 O ATOM 0 H SER A 643 -16.074 -3.487 -1.267 1.00 0.00 H new ATOM 0 HA SER A 643 -18.524 -4.634 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.675 -2.271 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.984 -1.959 -1.665 1.00 0.00 H new ATOM 0 HG SER A 643 -19.732 -1.464 -0.023 1.00 0.00 H new ATOM 508 N LEU A 644 -19.715 -5.275 -2.505 1.00 0.00 N ATOM 509 CA LEU A 644 -20.377 -5.646 -3.756 1.00 0.00 C ATOM 510 C LEU A 644 -21.097 -4.454 -4.402 1.00 0.00 C ATOM 511 O LEU A 644 -21.519 -4.522 -5.559 1.00 0.00 O ATOM 512 CB LEU A 644 -21.298 -6.862 -3.571 1.00 0.00 C ATOM 513 CG LEU A 644 -22.684 -6.575 -2.965 1.00 0.00 C ATOM 514 CD1 LEU A 644 -23.604 -7.770 -3.208 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.616 -6.293 -1.464 1.00 0.00 C ATOM 0 H LEU A 644 -20.092 -5.737 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.599 -5.948 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -21.440 -7.336 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -20.788 -7.585 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 644 -23.074 -5.682 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -24.585 -7.567 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -23.705 -7.940 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -23.179 -8.657 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -23.619 -6.097 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.196 -7.158 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.984 -5.423 -1.285 1.00 0.00 H new ATOM 527 N ALA A 645 -21.281 -3.367 -3.643 1.00 0.00 N ATOM 528 CA ALA A 645 -21.904 -2.146 -4.122 1.00 0.00 C ATOM 529 C ALA A 645 -20.963 -1.411 -5.083 1.00 0.00 C ATOM 530 O ALA A 645 -21.411 -0.506 -5.788 1.00 0.00 O ATOM 531 CB ALA A 645 -22.236 -1.237 -2.941 1.00 0.00 C ATOM 0 H ALA A 645 -20.994 -3.319 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.821 -2.406 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -22.703 -0.322 -3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -22.922 -1.751 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -21.320 -0.988 -2.405 1.00 0.00 H new ATOM 537 N GLU A 646 -19.682 -1.800 -5.093 1.00 0.00 N ATOM 538 CA GLU A 646 -18.602 -1.254 -5.894 1.00 0.00 C ATOM 539 C GLU A 646 -18.524 0.271 -5.775 1.00 0.00 C ATOM 540 O GLU A 646 -18.434 0.989 -6.773 1.00 0.00 O ATOM 541 CB GLU A 646 -18.650 -1.772 -7.334 1.00 0.00 C ATOM 542 CG GLU A 646 -18.360 -3.271 -7.459 1.00 0.00 C ATOM 543 CD GLU A 646 -18.511 -3.705 -8.915 1.00 0.00 C ATOM 544 OE1 GLU A 646 -17.579 -3.498 -9.731 1.00 0.00 O ATOM 545 OE2 GLU A 646 -19.593 -4.218 -9.272 1.00 0.00 O ATOM 0 H GLU A 646 -19.360 -2.561 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.658 -1.620 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -19.635 -1.565 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -17.927 -1.220 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -17.351 -3.486 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -19.045 -3.838 -6.828 1.00 0.00 H new ATOM 552 N LEU A 647 -18.653 0.765 -4.542 1.00 0.00 N ATOM 553 CA LEU A 647 -18.570 2.191 -4.270 1.00 0.00 C ATOM 554 C LEU A 647 -17.102 2.609 -4.316 1.00 0.00 C ATOM 555 O LEU A 647 -16.220 1.850 -3.906 1.00 0.00 O ATOM 556 CB LEU A 647 -19.240 2.598 -2.944 1.00 0.00 C ATOM 557 CG LEU A 647 -18.449 2.382 -1.638 1.00 0.00 C ATOM 558 CD1 LEU A 647 -19.195 3.106 -0.516 1.00 0.00 C ATOM 559 CD2 LEU A 647 -18.328 0.897 -1.276 1.00 0.00 C ATOM 0 H LEU A 647 -18.816 0.190 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.131 2.721 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -19.495 3.656 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -20.178 2.049 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 647 -17.440 2.771 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -18.659 2.971 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -19.259 4.169 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -20.200 2.694 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -17.763 0.793 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -19.323 0.472 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -17.811 0.368 -2.077 1.00 0.00 H new ATOM 571 N GLY A 648 -16.887 3.844 -4.753 1.00 0.00 N ATOM 572 CA GLY A 648 -15.600 4.510 -4.880 1.00 0.00 C ATOM 573 C GLY A 648 -15.797 5.990 -4.556 1.00 0.00 C ATOM 574 O GLY A 648 -15.119 6.853 -5.119 1.00 0.00 O ATOM 0 H GLY A 648 -17.658 4.444 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -14.873 4.065 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -15.208 4.390 -5.890 1.00 0.00 H new ATOM 578 N ASP A 649 -16.774 6.278 -3.697 1.00 0.00 N ATOM 579 CA ASP A 649 -17.226 7.581 -3.222 1.00 0.00 C ATOM 580 C ASP A 649 -17.267 7.558 -1.692 1.00 0.00 C ATOM 581 O ASP A 649 -18.270 7.896 -1.058 1.00 0.00 O ATOM 582 CB ASP A 649 -18.597 7.813 -3.868 1.00 0.00 C ATOM 583 CG ASP A 649 -19.283 9.123 -3.495 1.00 0.00 C ATOM 584 OD1 ASP A 649 -18.619 10.127 -3.168 1.00 0.00 O ATOM 585 OD2 ASP A 649 -20.536 9.161 -3.578 1.00 0.00 O ATOM 0 H ASP A 649 -17.322 5.528 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 649 -16.563 8.402 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.480 7.780 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -19.254 6.988 -3.593 1.00 0.00 H new ATOM 590 N CYS A 650 -16.169 7.108 -1.088 1.00 0.00 N ATOM 591 CA CYS A 650 -15.973 6.979 0.349 1.00 0.00 C ATOM 592 C CYS A 650 -14.598 7.495 0.786 1.00 0.00 C ATOM 593 O CYS A 650 -14.136 7.171 1.884 1.00 0.00 O ATOM 594 CB CYS A 650 -16.147 5.503 0.708 1.00 0.00 C ATOM 595 SG CYS A 650 -16.707 5.210 2.398 1.00 0.00 S ATOM 0 H CYS A 650 -15.351 6.809 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 650 -16.706 7.589 0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -16.862 5.055 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -15.197 4.991 0.559 1.00 0.00 H new ATOM 600 N ASN A 651 -13.935 8.310 -0.042 1.00 0.00 N ATOM 601 CA ASN A 651 -12.605 8.858 0.228 1.00 0.00 C ATOM 602 C ASN A 651 -11.605 7.722 0.493 1.00 0.00 C ATOM 603 O ASN A 651 -10.683 7.886 1.294 1.00 0.00 O ATOM 604 CB ASN A 651 -12.636 9.892 1.381 1.00 0.00 C ATOM 605 CG ASN A 651 -13.392 11.175 1.074 1.00 0.00 C ATOM 606 OD1 ASN A 651 -13.781 11.436 -0.059 1.00 0.00 O ATOM 607 ND2 ASN A 651 -13.583 12.019 2.073 1.00 0.00 N ATOM 0 H ASN A 651 -14.318 8.612 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.269 9.398 -0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.086 9.424 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.610 10.147 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -14.061 12.905 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -13.252 11.785 3.009 1.00 0.00 H new ATOM 614 N GLU A 652 -11.832 6.536 -0.076 1.00 0.00 N ATOM 615 CA GLU A 652 -10.976 5.366 0.077 1.00 0.00 C ATOM 616 C GLU A 652 -9.628 5.551 -0.634 1.00 0.00 C ATOM 617 O GLU A 652 -9.390 6.557 -1.304 1.00 0.00 O ATOM 618 CB GLU A 652 -11.711 4.083 -0.366 1.00 0.00 C ATOM 619 CG GLU A 652 -12.247 4.114 -1.809 1.00 0.00 C ATOM 620 CD GLU A 652 -13.649 4.721 -1.858 1.00 0.00 C ATOM 621 OE1 GLU A 652 -14.625 3.980 -1.613 1.00 0.00 O ATOM 622 OE2 GLU A 652 -13.764 5.950 -2.073 1.00 0.00 O ATOM 0 H GLU A 652 -12.641 6.362 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.746 5.252 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -11.031 3.237 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -12.545 3.905 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -11.573 4.694 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -12.270 3.102 -2.214 1.00 0.00 H new ATOM 629 N ASP A 653 -8.750 4.564 -0.458 1.00 0.00 N ATOM 630 CA ASP A 653 -7.407 4.478 -1.014 1.00 0.00 C ATOM 631 C ASP A 653 -7.192 3.028 -1.420 1.00 0.00 C ATOM 632 O ASP A 653 -7.575 2.120 -0.664 1.00 0.00 O ATOM 633 CB ASP A 653 -6.331 4.762 0.044 1.00 0.00 C ATOM 634 CG ASP A 653 -6.277 6.182 0.592 1.00 0.00 C ATOM 635 OD1 ASP A 653 -7.098 6.509 1.481 1.00 0.00 O ATOM 636 OD2 ASP A 653 -5.306 6.891 0.247 1.00 0.00 O ATOM 0 H ASP A 653 -8.977 3.751 0.115 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.326 5.197 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -6.485 4.079 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.358 4.525 -0.386 1.00 0.00 H new ATOM 641 N LEU A 654 -6.547 2.798 -2.562 1.00 0.00 N ATOM 642 CA LEU A 654 -6.238 1.468 -3.080 1.00 0.00 C ATOM 643 C LEU A 654 -4.728 1.264 -3.191 1.00 0.00 C ATOM 644 O LEU A 654 -4.293 0.115 -3.214 1.00 0.00 O ATOM 645 CB LEU A 654 -6.922 1.201 -4.431 1.00 0.00 C ATOM 646 CG LEU A 654 -8.452 1.045 -4.356 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.991 0.781 -5.760 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.877 -0.124 -3.458 1.00 0.00 C ATOM 0 H LEU A 654 -6.217 3.550 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.635 0.746 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.687 2.020 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.499 0.295 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.854 1.966 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -10.074 0.669 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.737 1.618 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.546 -0.133 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.965 -0.191 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.463 -1.053 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.506 0.041 -2.446 1.00 0.00 H new ATOM 660 N GLU A 655 -3.926 2.330 -3.178 1.00 0.00 N ATOM 661 CA GLU A 655 -2.471 2.294 -3.258 1.00 0.00 C ATOM 662 C GLU A 655 -1.879 3.003 -2.034 1.00 0.00 C ATOM 663 O GLU A 655 -2.477 3.925 -1.467 1.00 0.00 O ATOM 664 CB GLU A 655 -2.009 2.941 -4.578 1.00 0.00 C ATOM 665 CG GLU A 655 -0.488 3.175 -4.606 1.00 0.00 C ATOM 666 CD GLU A 655 0.050 3.668 -5.945 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.236 3.043 -6.992 1.00 0.00 O ATOM 668 OE2 GLU A 655 0.875 4.610 -5.931 1.00 0.00 O ATOM 0 H GLU A 655 -4.291 3.280 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.116 1.263 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.292 2.301 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.524 3.892 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.230 3.901 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.015 2.243 -4.347 1.00 0.00 H new ATOM 675 N GLN A 656 -0.686 2.564 -1.633 1.00 0.00 N ATOM 676 CA GLN A 656 0.093 3.076 -0.528 1.00 0.00 C ATOM 677 C GLN A 656 1.574 2.930 -0.859 1.00 0.00 C ATOM 678 O GLN A 656 1.989 2.078 -1.647 1.00 0.00 O ATOM 679 CB GLN A 656 -0.231 2.292 0.758 1.00 0.00 C ATOM 680 CG GLN A 656 -1.084 3.108 1.739 1.00 0.00 C ATOM 681 CD GLN A 656 -0.298 3.512 2.977 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.420 2.885 4.027 1.00 0.00 O ATOM 683 NE2 GLN A 656 0.524 4.544 2.896 1.00 0.00 N ATOM 0 H GLN A 656 -0.217 1.793 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.150 4.126 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.758 1.374 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.699 1.998 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -1.457 4.002 1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -1.954 2.523 2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 656 0.616 5.055 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 656 1.067 4.829 3.711 1.00 0.00 H new ATOM 692 N ALA A 657 2.379 3.779 -0.229 1.00 0.00 N ATOM 693 CA ALA A 657 3.828 3.806 -0.367 1.00 0.00 C ATOM 694 C ALA A 657 4.435 4.228 0.965 1.00 0.00 C ATOM 695 O ALA A 657 3.780 4.924 1.748 1.00 0.00 O ATOM 696 CB ALA A 657 4.300 4.740 -1.477 1.00 0.00 C ATOM 0 H ALA A 657 2.028 4.490 0.412 1.00 0.00 H new ATOM 0 HA ALA A 657 4.158 2.805 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.388 4.718 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.882 4.414 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.968 5.756 -1.264 1.00 0.00 H new ATOM 702 N GLU A 658 5.689 3.848 1.193 1.00 0.00 N ATOM 703 CA GLU A 658 6.424 4.152 2.411 1.00 0.00 C ATOM 704 C GLU A 658 7.902 4.278 2.046 1.00 0.00 C ATOM 705 O GLU A 658 8.451 3.410 1.364 1.00 0.00 O ATOM 706 CB GLU A 658 6.177 3.024 3.420 1.00 0.00 C ATOM 707 CG GLU A 658 6.663 3.360 4.829 1.00 0.00 C ATOM 708 CD GLU A 658 6.194 2.280 5.804 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.704 1.140 5.715 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.292 2.562 6.630 1.00 0.00 O ATOM 0 H GLU A 658 6.232 3.308 0.519 1.00 0.00 H new ATOM 0 HA GLU A 658 6.097 5.088 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.110 2.803 3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.679 2.120 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 658 7.751 3.429 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 658 6.278 4.333 5.135 1.00 0.00 H new ATOM 717 N LYS A 659 8.535 5.391 2.419 1.00 0.00 N ATOM 718 CA LYS A 659 9.942 5.659 2.147 1.00 0.00 C ATOM 719 C LYS A 659 10.827 4.688 2.912 1.00 0.00 C ATOM 720 O LYS A 659 10.487 4.280 4.025 1.00 0.00 O ATOM 721 CB LYS A 659 10.267 7.113 2.510 1.00 0.00 C ATOM 722 CG LYS A 659 9.700 8.048 1.434 1.00 0.00 C ATOM 723 CD LYS A 659 9.683 9.501 1.917 1.00 0.00 C ATOM 724 CE LYS A 659 9.302 10.463 0.786 1.00 0.00 C ATOM 725 NZ LYS A 659 7.842 10.656 0.675 1.00 0.00 N ATOM 0 H LYS A 659 8.072 6.144 2.928 1.00 0.00 H new ATOM 0 HA LYS A 659 10.138 5.515 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 659 9.841 7.360 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 659 11.346 7.246 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.300 7.970 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 659 8.688 7.736 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 659 8.974 9.604 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 659 10.665 9.767 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 659 9.781 11.427 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.687 10.079 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.637 11.314 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 7.384 9.742 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 7.475 11.048 1.566 1.00 0.00 H new ATOM 739 N CYS A 660 11.955 4.335 2.303 1.00 0.00 N ATOM 740 CA CYS A 660 12.934 3.423 2.861 1.00 0.00 C ATOM 741 C CYS A 660 14.334 3.824 2.369 1.00 0.00 C ATOM 742 O CYS A 660 14.490 4.826 1.654 1.00 0.00 O ATOM 743 CB CYS A 660 12.528 1.986 2.501 1.00 0.00 C ATOM 744 SG CYS A 660 12.844 1.401 0.814 1.00 0.00 S ATOM 0 H CYS A 660 12.216 4.688 1.382 1.00 0.00 H new ATOM 0 HA CYS A 660 12.967 3.476 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.042 1.313 3.188 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.460 1.884 2.694 1.00 0.00 H new ATOM 749 N MET A 661 15.381 3.116 2.790 1.00 0.00 N ATOM 750 CA MET A 661 16.755 3.372 2.380 1.00 0.00 C ATOM 751 C MET A 661 17.641 2.190 2.729 1.00 0.00 C ATOM 752 O MET A 661 17.960 1.968 3.902 1.00 0.00 O ATOM 753 CB MET A 661 17.380 4.654 2.951 1.00 0.00 C ATOM 754 CG MET A 661 16.710 5.213 4.210 1.00 0.00 C ATOM 755 SD MET A 661 17.502 6.717 4.815 1.00 0.00 S ATOM 756 CE MET A 661 18.875 5.953 5.717 1.00 0.00 C ATOM 0 H MET A 661 15.293 2.334 3.438 1.00 0.00 H new ATOM 0 HA MET A 661 16.697 3.519 1.301 1.00 0.00 H new ATOM 0 HB2 MET A 661 18.428 4.457 3.176 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.359 5.422 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 661 15.662 5.421 3.996 1.00 0.00 H new ATOM 0 HG3 MET A 661 16.731 4.456 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 661 19.459 6.727 6.214 1.00 0.00 H new ATOM 0 HE2 MET A 661 18.481 5.261 6.462 1.00 0.00 H new ATOM 0 HE3 MET A 661 19.512 5.410 5.019 1.00 0.00 H new ATOM 766 N LEU A 662 17.989 1.425 1.706 1.00 0.00 N ATOM 767 CA LEU A 662 18.866 0.264 1.790 1.00 0.00 C ATOM 768 C LEU A 662 20.293 0.771 2.058 1.00 0.00 C ATOM 769 O LEU A 662 20.552 1.973 1.904 1.00 0.00 O ATOM 770 CB LEU A 662 18.807 -0.473 0.439 1.00 0.00 C ATOM 771 CG LEU A 662 17.670 -1.492 0.255 1.00 0.00 C ATOM 772 CD1 LEU A 662 18.041 -2.829 0.890 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.318 -1.016 0.794 1.00 0.00 C ATOM 0 H LEU A 662 17.657 1.601 0.758 1.00 0.00 H new ATOM 0 HA LEU A 662 18.564 -0.415 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.726 0.273 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.755 -0.991 0.293 1.00 0.00 H new ATOM 0 HG LEU A 662 17.549 -1.610 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 662 17.225 -3.537 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 662 18.944 -3.218 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 662 18.220 -2.688 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.567 -1.789 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.402 -0.816 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.021 -0.104 0.276 1.00 0.00 H new ATOM 785 N PRO A 663 21.230 -0.091 2.480 1.00 0.00 N ATOM 786 CA PRO A 663 22.603 0.326 2.733 1.00 0.00 C ATOM 787 C PRO A 663 23.286 0.665 1.402 1.00 0.00 C ATOM 788 O PRO A 663 22.728 0.422 0.333 1.00 0.00 O ATOM 789 CB PRO A 663 23.252 -0.869 3.430 1.00 0.00 C ATOM 790 CG PRO A 663 22.496 -2.063 2.845 1.00 0.00 C ATOM 791 CD PRO A 663 21.075 -1.520 2.701 1.00 0.00 C ATOM 0 HA PRO A 663 22.679 1.221 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 663 24.320 -0.926 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 663 23.142 -0.813 4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 663 22.910 -2.374 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.534 -2.930 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.556 -1.993 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.486 -1.718 3.596 1.00 0.00 H new ATOM 799 N GLU A 664 24.470 1.266 1.441 1.00 0.00 N ATOM 800 CA GLU A 664 25.191 1.601 0.216 1.00 0.00 C ATOM 801 C GLU A 664 25.574 0.297 -0.502 1.00 0.00 C ATOM 802 O GLU A 664 25.824 -0.726 0.147 1.00 0.00 O ATOM 803 CB GLU A 664 26.402 2.478 0.559 1.00 0.00 C ATOM 804 CG GLU A 664 27.432 1.787 1.469 1.00 0.00 C ATOM 805 CD GLU A 664 27.944 2.742 2.551 1.00 0.00 C ATOM 806 OE1 GLU A 664 28.511 3.812 2.233 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.733 2.470 3.756 1.00 0.00 O ATOM 0 H GLU A 664 24.950 1.530 2.301 1.00 0.00 H new ATOM 0 HA GLU A 664 24.568 2.180 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 664 26.893 2.780 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.053 3.388 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.979 0.913 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.269 1.430 0.869 1.00 0.00 H new ATOM 814 N CYS A 665 25.591 0.300 -1.836 1.00 0.00 N ATOM 815 CA CYS A 665 25.944 -0.908 -2.582 1.00 0.00 C ATOM 816 C CYS A 665 27.436 -1.231 -2.422 1.00 0.00 C ATOM 817 O CYS A 665 28.239 -0.306 -2.555 1.00 0.00 O ATOM 818 CB CYS A 665 25.665 -0.766 -4.089 1.00 0.00 C ATOM 819 SG CYS A 665 24.099 -1.468 -4.667 1.00 0.00 S ATOM 0 H CYS A 665 25.369 1.111 -2.414 1.00 0.00 H new ATOM 0 HA CYS A 665 25.325 -1.705 -2.171 1.00 0.00 H new ATOM 0 HB2 CYS A 665 25.684 0.293 -4.345 1.00 0.00 H new ATOM 0 HB3 CYS A 665 26.479 -1.241 -4.637 1.00 0.00 H new ATOM 824 N PRO A 666 27.812 -2.491 -2.141 1.00 0.00 N ATOM 825 CA PRO A 666 29.198 -2.908 -2.040 1.00 0.00 C ATOM 826 C PRO A 666 29.605 -3.311 -3.473 1.00 0.00 C ATOM 827 O PRO A 666 29.453 -2.488 -4.405 1.00 0.00 O ATOM 828 CB PRO A 666 29.162 -4.077 -1.050 1.00 0.00 C ATOM 829 CG PRO A 666 27.838 -4.763 -1.389 1.00 0.00 C ATOM 830 CD PRO A 666 26.946 -3.641 -1.933 1.00 0.00 C ATOM 0 HA PRO A 666 29.916 -2.168 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.011 -4.747 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 666 29.187 -3.733 -0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 666 27.978 -5.551 -2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.396 -5.228 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.469 -3.942 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.148 -3.404 -1.229 1.00 0.00 H new TER 838 PRO A 666