USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 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= 0.0388 USER MOD Single : A 618 SER OG : rot -91:sc= 0.715 USER MOD Single : A 621 SER OG : rot 180:sc= 0.0058 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 85:sc= 0.133 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 176:sc= -0.0262 (180deg=-0.0406) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 640 MET CE :methyl 176:sc= 0 (180deg=-0.0244) USER MOD Single : A 642 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0321) USER MOD Single : A 643 SER OG : rot -164:sc= 0.942 USER MOD Single : A 651 ASN : amide:sc= 0.204 X(o=0.2,f=-0.03) USER MOD Single : A 656 GLN : amide:sc=-0.00181 K(o=-0.0018,f=-0.73) USER MOD Single : A 659 LYS NZ :NH3+ 156:sc= 0.488 (180deg=-0.387!) USER MOD Single : A 661 MET CE :methyl -153:sc= -0.466 (180deg=-1.37!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -22.872 0.877 12.699 1.00 0.00 N ATOM 2 CA GLY A 611 -23.531 -0.236 12.016 1.00 0.00 C ATOM 3 C GLY A 611 -22.797 -0.515 10.729 1.00 0.00 C ATOM 4 O GLY A 611 -21.665 -0.989 10.776 1.00 0.00 O ATOM 0 HA2 GLY A 611 -23.531 -1.122 12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -24.573 0.010 11.811 1.00 0.00 H new ATOM 8 N SER A 612 -23.442 -0.271 9.590 1.00 0.00 N ATOM 9 CA SER A 612 -22.828 -0.479 8.292 1.00 0.00 C ATOM 10 C SER A 612 -21.900 0.697 7.983 1.00 0.00 C ATOM 11 O SER A 612 -21.998 1.750 8.625 1.00 0.00 O ATOM 12 CB SER A 612 -23.937 -0.633 7.251 1.00 0.00 C ATOM 13 OG SER A 612 -24.937 0.356 7.383 1.00 0.00 O ATOM 0 H SER A 612 -24.401 0.075 9.547 1.00 0.00 H new ATOM 0 HA SER A 612 -22.223 -1.385 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 612 -23.505 -0.578 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 612 -24.390 -1.620 7.349 1.00 0.00 H new ATOM 0 HG SER A 612 -25.624 0.220 6.697 1.00 0.00 H new ATOM 19 N ILE A 613 -21.014 0.534 7.000 1.00 0.00 N ATOM 20 CA ILE A 613 -20.070 1.575 6.606 1.00 0.00 C ATOM 21 C ILE A 613 -20.174 1.858 5.109 1.00 0.00 C ATOM 22 O ILE A 613 -20.497 0.943 4.346 1.00 0.00 O ATOM 23 CB ILE A 613 -18.635 1.212 7.035 1.00 0.00 C ATOM 24 CG1 ILE A 613 -18.143 -0.155 6.518 1.00 0.00 C ATOM 25 CG2 ILE A 613 -18.563 1.279 8.561 1.00 0.00 C ATOM 26 CD1 ILE A 613 -16.615 -0.267 6.603 1.00 0.00 C ATOM 0 H ILE A 613 -20.932 -0.325 6.456 1.00 0.00 H new ATOM 0 HA ILE A 613 -20.331 2.496 7.127 1.00 0.00 H new ATOM 0 HB ILE A 613 -17.961 1.936 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -18.601 -0.953 7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -18.463 -0.292 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -17.555 1.025 8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -18.810 2.287 8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -19.273 0.572 8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -16.300 -1.242 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -16.159 0.517 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -16.299 -0.155 7.640 1.00 0.00 H new ATOM 38 N PRO A 614 -19.845 3.088 4.674 1.00 0.00 N ATOM 39 CA PRO A 614 -19.923 3.455 3.272 1.00 0.00 C ATOM 40 C PRO A 614 -19.066 2.593 2.343 1.00 0.00 C ATOM 41 O PRO A 614 -19.534 2.061 1.338 1.00 0.00 O ATOM 42 CB PRO A 614 -19.540 4.935 3.185 1.00 0.00 C ATOM 43 CG PRO A 614 -19.177 5.399 4.594 1.00 0.00 C ATOM 44 CD PRO A 614 -19.474 4.222 5.513 1.00 0.00 C ATOM 0 HA PRO A 614 -20.938 3.278 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -18.698 5.074 2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -20.368 5.523 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -18.127 5.684 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -19.761 6.274 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -18.601 3.980 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -20.282 4.469 6.202 1.00 0.00 H new ATOM 52 N CYS A 615 -17.787 2.487 2.667 1.00 0.00 N ATOM 53 CA CYS A 615 -16.801 1.733 1.911 1.00 0.00 C ATOM 54 C CYS A 615 -16.771 0.270 2.329 1.00 0.00 C ATOM 55 O CYS A 615 -16.752 -0.041 3.521 1.00 0.00 O ATOM 56 CB CYS A 615 -15.401 2.325 2.130 1.00 0.00 C ATOM 57 SG CYS A 615 -15.060 2.916 3.814 1.00 0.00 S ATOM 0 H CYS A 615 -17.394 2.939 3.492 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.084 1.797 0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.660 1.568 1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.263 3.155 1.437 1.00 0.00 H new ATOM 62 N LEU A 616 -16.683 -0.631 1.350 1.00 0.00 N ATOM 63 CA LEU A 616 -16.604 -2.067 1.565 1.00 0.00 C ATOM 64 C LEU A 616 -15.490 -2.559 0.655 1.00 0.00 C ATOM 65 O LEU A 616 -15.689 -2.774 -0.539 1.00 0.00 O ATOM 66 CB LEU A 616 -17.954 -2.767 1.324 1.00 0.00 C ATOM 67 CG LEU A 616 -18.066 -4.194 1.909 1.00 0.00 C ATOM 68 CD1 LEU A 616 -17.009 -5.174 1.385 1.00 0.00 C ATOM 69 CD2 LEU A 616 -18.022 -4.213 3.443 1.00 0.00 C ATOM 0 H LEU A 616 -16.665 -0.371 0.364 1.00 0.00 H new ATOM 0 HA LEU A 616 -16.376 -2.308 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.746 -2.152 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -18.134 -2.816 0.250 1.00 0.00 H new ATOM 0 HG LEU A 616 -19.044 -4.530 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -17.159 -6.151 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -17.102 -5.265 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -16.014 -4.804 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -18.105 -5.241 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -17.079 -3.786 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -18.851 -3.626 3.838 1.00 0.00 H new ATOM 81 N LEU A 617 -14.283 -2.669 1.195 1.00 0.00 N ATOM 82 CA LEU A 617 -13.100 -3.133 0.488 1.00 0.00 C ATOM 83 C LEU A 617 -12.207 -3.888 1.472 1.00 0.00 C ATOM 84 O LEU A 617 -12.464 -3.889 2.681 1.00 0.00 O ATOM 85 CB LEU A 617 -12.430 -1.981 -0.290 1.00 0.00 C ATOM 86 CG LEU A 617 -12.242 -0.648 0.466 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.140 -0.737 1.515 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.878 0.457 -0.522 1.00 0.00 C ATOM 0 H LEU A 617 -14.096 -2.430 2.169 1.00 0.00 H new ATOM 0 HA LEU A 617 -13.356 -3.847 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.451 -2.322 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -13.023 -1.784 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 617 -13.183 -0.426 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.042 0.223 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -11.392 -1.508 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.197 -0.989 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.746 1.396 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.951 0.198 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -12.677 0.567 -1.255 1.00 0.00 H new ATOM 100 N SER A 618 -11.206 -4.596 0.956 1.00 0.00 N ATOM 101 CA SER A 618 -10.293 -5.376 1.771 1.00 0.00 C ATOM 102 C SER A 618 -9.260 -4.492 2.474 1.00 0.00 C ATOM 103 O SER A 618 -8.993 -3.368 2.032 1.00 0.00 O ATOM 104 CB SER A 618 -9.574 -6.368 0.846 1.00 0.00 C ATOM 105 OG SER A 618 -8.965 -5.700 -0.233 1.00 0.00 O ATOM 0 H SER A 618 -11.009 -4.642 -0.044 1.00 0.00 H new ATOM 0 HA SER A 618 -10.859 -5.892 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 618 -8.820 -6.917 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 618 -10.287 -7.101 0.469 1.00 0.00 H new ATOM 0 HG SER A 618 -9.588 -5.663 -0.989 1.00 0.00 H new ATOM 111 N PRO A 619 -8.646 -4.968 3.565 1.00 0.00 N ATOM 112 CA PRO A 619 -7.617 -4.206 4.244 1.00 0.00 C ATOM 113 C PRO A 619 -6.343 -4.257 3.389 1.00 0.00 C ATOM 114 O PRO A 619 -6.169 -5.158 2.559 1.00 0.00 O ATOM 115 CB PRO A 619 -7.399 -4.897 5.586 1.00 0.00 C ATOM 116 CG PRO A 619 -7.811 -6.343 5.319 1.00 0.00 C ATOM 117 CD PRO A 619 -8.860 -6.247 4.216 1.00 0.00 C ATOM 0 HA PRO A 619 -7.888 -3.161 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -6.360 -4.829 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -8.005 -4.446 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.959 -6.946 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -8.219 -6.811 6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -8.755 -7.068 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.867 -6.310 4.629 1.00 0.00 H new ATOM 125 N TRP A 620 -5.435 -3.312 3.616 1.00 0.00 N ATOM 126 CA TRP A 620 -4.171 -3.227 2.900 1.00 0.00 C ATOM 127 C TRP A 620 -3.392 -4.536 2.983 1.00 0.00 C ATOM 128 O TRP A 620 -3.322 -5.123 4.067 1.00 0.00 O ATOM 129 CB TRP A 620 -3.306 -2.148 3.559 1.00 0.00 C ATOM 130 CG TRP A 620 -3.713 -0.743 3.303 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.219 0.143 4.186 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.632 -0.046 2.040 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.497 1.326 3.529 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.167 1.261 2.198 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.162 -0.415 0.773 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.278 2.161 1.131 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.262 0.479 -0.294 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.830 1.752 -0.132 1.00 0.00 C ATOM 0 H TRP A 620 -5.560 -2.576 4.311 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.392 -3.000 1.857 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -3.308 -2.316 4.636 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.278 -2.276 3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.381 -0.043 5.238 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.899 2.149 3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.723 -1.390 0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.698 3.145 1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.894 0.185 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.922 2.415 -0.979 1.00 0.00 H new ATOM 149 N SER A 621 -2.812 -5.000 1.867 1.00 0.00 N ATOM 150 CA SER A 621 -2.015 -6.218 1.895 1.00 0.00 C ATOM 151 C SER A 621 -0.712 -5.901 2.648 1.00 0.00 C ATOM 152 O SER A 621 -0.495 -4.789 3.143 1.00 0.00 O ATOM 153 CB SER A 621 -1.768 -6.758 0.479 1.00 0.00 C ATOM 154 OG SER A 621 -1.413 -8.126 0.558 1.00 0.00 O ATOM 0 H SER A 621 -2.882 -4.554 0.952 1.00 0.00 H new ATOM 0 HA SER A 621 -2.546 -7.015 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.663 -6.637 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.973 -6.191 -0.006 1.00 0.00 H new ATOM 0 HG SER A 621 -1.256 -8.476 -0.344 1.00 0.00 H new ATOM 160 N GLU A 622 0.167 -6.883 2.775 1.00 0.00 N ATOM 161 CA GLU A 622 1.423 -6.700 3.478 1.00 0.00 C ATOM 162 C GLU A 622 2.429 -5.862 2.670 1.00 0.00 C ATOM 163 O GLU A 622 2.330 -5.696 1.449 1.00 0.00 O ATOM 164 CB GLU A 622 1.975 -8.067 3.890 1.00 0.00 C ATOM 165 CG GLU A 622 0.988 -8.830 4.798 1.00 0.00 C ATOM 166 CD GLU A 622 0.112 -9.827 4.030 1.00 0.00 C ATOM 167 OE1 GLU A 622 0.620 -10.926 3.711 1.00 0.00 O ATOM 168 OE2 GLU A 622 -1.080 -9.546 3.751 1.00 0.00 O ATOM 0 H GLU A 622 0.030 -7.820 2.397 1.00 0.00 H new ATOM 0 HA GLU A 622 1.241 -6.120 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 622 2.182 -8.659 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 622 2.922 -7.935 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 622 1.548 -9.364 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 622 0.347 -8.113 5.312 1.00 0.00 H new ATOM 175 N TRP A 623 3.389 -5.275 3.381 1.00 0.00 N ATOM 176 CA TRP A 623 4.443 -4.458 2.808 1.00 0.00 C ATOM 177 C TRP A 623 5.528 -5.335 2.180 1.00 0.00 C ATOM 178 O TRP A 623 5.529 -6.562 2.285 1.00 0.00 O ATOM 179 CB TRP A 623 5.053 -3.581 3.913 1.00 0.00 C ATOM 180 CG TRP A 623 4.282 -2.352 4.264 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.546 -2.155 5.377 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.206 -1.114 3.513 1.00 0.00 C ATOM 183 NE1 TRP A 623 3.060 -0.862 5.390 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.404 -0.184 4.238 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.743 -0.692 2.281 1.00 0.00 C ATOM 186 CZ2 TRP A 623 3.121 1.100 3.745 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.466 0.589 1.787 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.641 1.472 2.493 1.00 0.00 C ATOM 0 H TRP A 623 3.452 -5.360 4.396 1.00 0.00 H new ATOM 0 HA TRP A 623 4.020 -3.828 2.025 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.164 -4.187 4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.055 -3.283 3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.364 -2.896 6.142 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.516 -0.460 6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.373 -1.361 1.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.516 1.788 4.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.896 0.900 0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.404 2.440 2.076 1.00 0.00 H new ATOM 199 N SER A 624 6.437 -4.668 1.481 1.00 0.00 N ATOM 200 CA SER A 624 7.609 -5.199 0.815 1.00 0.00 C ATOM 201 C SER A 624 8.765 -4.432 1.460 1.00 0.00 C ATOM 202 O SER A 624 8.529 -3.352 2.020 1.00 0.00 O ATOM 203 CB SER A 624 7.515 -4.941 -0.693 1.00 0.00 C ATOM 204 OG SER A 624 8.583 -5.575 -1.372 1.00 0.00 O ATOM 0 H SER A 624 6.363 -3.658 1.358 1.00 0.00 H new ATOM 0 HA SER A 624 7.728 -6.277 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 624 6.563 -5.312 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 624 7.539 -3.869 -0.887 1.00 0.00 H new ATOM 0 HG SER A 624 8.508 -5.402 -2.334 1.00 0.00 H new ATOM 210 N ASP A 625 9.994 -4.950 1.425 1.00 0.00 N ATOM 211 CA ASP A 625 11.113 -4.224 2.031 1.00 0.00 C ATOM 212 C ASP A 625 11.287 -2.893 1.305 1.00 0.00 C ATOM 213 O ASP A 625 11.291 -1.834 1.940 1.00 0.00 O ATOM 214 CB ASP A 625 12.412 -5.033 2.055 1.00 0.00 C ATOM 215 CG ASP A 625 13.483 -4.346 2.913 1.00 0.00 C ATOM 216 OD1 ASP A 625 13.146 -3.547 3.827 1.00 0.00 O ATOM 217 OD2 ASP A 625 14.674 -4.660 2.720 1.00 0.00 O ATOM 0 H ASP A 625 10.237 -5.843 0.997 1.00 0.00 H new ATOM 0 HA ASP A 625 10.874 -4.042 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 625 12.214 -6.031 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 625 12.783 -5.158 1.038 1.00 0.00 H new ATOM 222 N CYS A 626 11.384 -2.958 -0.031 1.00 0.00 N ATOM 223 CA CYS A 626 11.525 -1.831 -0.937 1.00 0.00 C ATOM 224 C CYS A 626 11.618 -2.284 -2.386 1.00 0.00 C ATOM 225 O CYS A 626 12.024 -3.417 -2.643 1.00 0.00 O ATOM 226 CB CYS A 626 12.778 -1.025 -0.616 1.00 0.00 C ATOM 227 SG CYS A 626 12.637 0.622 -1.307 1.00 0.00 S ATOM 0 H CYS A 626 11.364 -3.850 -0.525 1.00 0.00 H new ATOM 0 HA CYS A 626 10.636 -1.215 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 626 12.916 -0.965 0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 626 13.657 -1.525 -1.022 1.00 0.00 H new ATOM 232 N SER A 627 11.284 -1.394 -3.328 1.00 0.00 N ATOM 233 CA SER A 627 11.368 -1.698 -4.751 1.00 0.00 C ATOM 234 C SER A 627 12.849 -1.751 -5.155 1.00 0.00 C ATOM 235 O SER A 627 13.234 -2.569 -5.989 1.00 0.00 O ATOM 236 CB SER A 627 10.605 -0.639 -5.554 1.00 0.00 C ATOM 237 OG SER A 627 9.287 -0.509 -5.054 1.00 0.00 O ATOM 0 H SER A 627 10.951 -0.452 -3.122 1.00 0.00 H new ATOM 0 HA SER A 627 10.911 -2.665 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.122 0.318 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 627 10.577 -0.919 -6.607 1.00 0.00 H new ATOM 0 HG SER A 627 9.284 0.116 -4.299 1.00 0.00 H new ATOM 243 N VAL A 628 13.684 -0.872 -4.589 1.00 0.00 N ATOM 244 CA VAL A 628 15.120 -0.820 -4.849 1.00 0.00 C ATOM 245 C VAL A 628 15.792 -1.931 -4.018 1.00 0.00 C ATOM 246 O VAL A 628 15.124 -2.667 -3.292 1.00 0.00 O ATOM 247 CB VAL A 628 15.631 0.608 -4.511 1.00 0.00 C ATOM 248 CG1 VAL A 628 15.965 0.824 -3.024 1.00 0.00 C ATOM 249 CG2 VAL A 628 16.838 1.030 -5.363 1.00 0.00 C ATOM 0 H VAL A 628 13.370 -0.164 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 628 15.365 -1.002 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 628 14.781 1.244 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.314 1.846 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.072 0.654 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 628 16.745 0.126 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.149 2.036 -5.081 1.00 0.00 H new ATOM 0 HG22 VAL A 628 17.662 0.336 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 628 16.561 1.018 -6.417 1.00 0.00 H new ATOM 259 N THR A 629 17.121 -1.987 -4.060 1.00 0.00 N ATOM 260 CA THR A 629 17.957 -2.936 -3.324 1.00 0.00 C ATOM 261 C THR A 629 19.110 -2.217 -2.621 1.00 0.00 C ATOM 262 O THR A 629 19.824 -2.830 -1.824 1.00 0.00 O ATOM 263 CB THR A 629 18.481 -4.037 -4.268 1.00 0.00 C ATOM 264 OG1 THR A 629 17.775 -4.065 -5.500 1.00 0.00 O ATOM 265 CG2 THR A 629 18.385 -5.399 -3.594 1.00 0.00 C ATOM 0 H THR A 629 17.670 -1.345 -4.632 1.00 0.00 H new ATOM 0 HA THR A 629 17.345 -3.410 -2.556 1.00 0.00 H new ATOM 0 HB THR A 629 19.524 -3.805 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 629 18.139 -4.775 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.758 -6.167 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 629 18.983 -5.397 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.345 -5.609 -3.345 1.00 0.00 H new ATOM 273 N CYS A 630 19.287 -0.920 -2.894 1.00 0.00 N ATOM 274 CA CYS A 630 20.324 -0.105 -2.309 1.00 0.00 C ATOM 275 C CYS A 630 20.070 1.375 -2.530 1.00 0.00 C ATOM 276 O CYS A 630 19.627 1.787 -3.608 1.00 0.00 O ATOM 277 CB CYS A 630 21.660 -0.464 -2.954 1.00 0.00 C ATOM 278 SG CYS A 630 21.655 -0.768 -4.734 1.00 0.00 S ATOM 0 H CYS A 630 18.692 -0.408 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 630 20.336 -0.298 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.363 0.344 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.047 -1.355 -2.459 1.00 0.00 H new ATOM 283 N GLY A 631 20.482 2.165 -1.547 1.00 0.00 N ATOM 284 CA GLY A 631 20.373 3.603 -1.517 1.00 0.00 C ATOM 285 C GLY A 631 18.918 4.076 -1.519 1.00 0.00 C ATOM 286 O GLY A 631 18.037 3.396 -0.989 1.00 0.00 O ATOM 0 H GLY A 631 20.924 1.791 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 631 20.875 3.985 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.890 4.022 -2.380 1.00 0.00 H new ATOM 290 N LYS A 632 18.682 5.265 -2.094 1.00 0.00 N ATOM 291 CA LYS A 632 17.367 5.907 -2.214 1.00 0.00 C ATOM 292 C LYS A 632 16.319 4.933 -2.742 1.00 0.00 C ATOM 293 O LYS A 632 16.578 4.229 -3.724 1.00 0.00 O ATOM 294 CB LYS A 632 17.442 7.174 -3.099 1.00 0.00 C ATOM 295 CG LYS A 632 17.527 6.998 -4.630 1.00 0.00 C ATOM 296 CD LYS A 632 18.789 6.274 -5.128 1.00 0.00 C ATOM 297 CE LYS A 632 18.818 6.250 -6.662 1.00 0.00 C ATOM 298 NZ LYS A 632 20.019 5.552 -7.161 1.00 0.00 N ATOM 0 H LYS A 632 19.430 5.825 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 632 17.060 6.214 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 632 16.563 7.782 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 632 18.312 7.749 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 632 16.651 6.444 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 632 17.481 7.982 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 632 19.679 6.777 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 632 18.809 5.255 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 632 17.923 5.754 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 632 18.801 7.270 -7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 20.013 5.551 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 20.871 6.041 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 20.020 4.572 -6.814 1.00 0.00 H new ATOM 312 N GLY A 633 15.126 4.919 -2.160 1.00 0.00 N ATOM 313 CA GLY A 633 14.077 4.024 -2.593 1.00 0.00 C ATOM 314 C GLY A 633 12.768 4.291 -1.871 1.00 0.00 C ATOM 315 O GLY A 633 12.669 5.161 -1.009 1.00 0.00 O ATOM 0 H GLY A 633 14.866 5.525 -1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 633 13.927 4.133 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.384 2.993 -2.417 1.00 0.00 H new ATOM 319 N MET A 634 11.731 3.557 -2.260 1.00 0.00 N ATOM 320 CA MET A 634 10.407 3.634 -1.669 1.00 0.00 C ATOM 321 C MET A 634 9.769 2.265 -1.834 1.00 0.00 C ATOM 322 O MET A 634 10.021 1.574 -2.827 1.00 0.00 O ATOM 323 CB MET A 634 9.525 4.704 -2.323 1.00 0.00 C ATOM 324 CG MET A 634 9.982 6.117 -1.974 1.00 0.00 C ATOM 325 SD MET A 634 8.730 7.380 -2.262 1.00 0.00 S ATOM 326 CE MET A 634 7.639 7.110 -0.842 1.00 0.00 C ATOM 0 H MET A 634 11.794 2.875 -3.016 1.00 0.00 H new ATOM 0 HA MET A 634 10.500 3.919 -0.621 1.00 0.00 H new ATOM 0 HB2 MET A 634 9.542 4.575 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 634 8.492 4.568 -2.002 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.277 6.144 -0.925 1.00 0.00 H new ATOM 0 HG3 MET A 634 10.868 6.357 -2.561 1.00 0.00 H new ATOM 0 HE1 MET A 634 6.852 7.864 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.192 6.118 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 634 8.216 7.185 0.080 1.00 0.00 H new ATOM 336 N ARG A 635 9.009 1.852 -0.830 1.00 0.00 N ATOM 337 CA ARG A 635 8.283 0.581 -0.806 1.00 0.00 C ATOM 338 C ARG A 635 6.815 0.888 -1.046 1.00 0.00 C ATOM 339 O ARG A 635 6.386 2.004 -0.737 1.00 0.00 O ATOM 340 CB ARG A 635 8.453 -0.141 0.546 1.00 0.00 C ATOM 341 CG ARG A 635 8.248 0.742 1.778 1.00 0.00 C ATOM 342 CD ARG A 635 8.425 -0.079 3.055 1.00 0.00 C ATOM 343 NE ARG A 635 8.515 0.795 4.235 1.00 0.00 N ATOM 344 CZ ARG A 635 8.003 0.519 5.438 1.00 0.00 C ATOM 345 NH1 ARG A 635 7.475 -0.666 5.711 1.00 0.00 N ATOM 346 NH2 ARG A 635 8.020 1.449 6.378 1.00 0.00 N ATOM 0 H ARG A 635 8.874 2.404 0.017 1.00 0.00 H new ATOM 0 HA ARG A 635 8.679 -0.080 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.747 -0.970 0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.453 -0.572 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.961 1.566 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.251 1.183 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.586 -0.765 3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.326 -0.687 2.979 1.00 0.00 H new ATOM 0 HE ARG A 635 9.007 1.682 4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 635 7.453 -1.392 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 635 7.091 -0.852 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 635 8.421 2.366 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 635 7.632 1.249 7.300 1.00 0.00 H new ATOM 360 N THR A 636 6.040 -0.079 -1.524 1.00 0.00 N ATOM 361 CA THR A 636 4.617 0.084 -1.772 1.00 0.00 C ATOM 362 C THR A 636 3.870 -1.178 -1.343 1.00 0.00 C ATOM 363 O THR A 636 4.464 -2.203 -0.975 1.00 0.00 O ATOM 364 CB THR A 636 4.321 0.488 -3.237 1.00 0.00 C ATOM 365 OG1 THR A 636 4.472 -0.577 -4.160 1.00 0.00 O ATOM 366 CG2 THR A 636 5.192 1.644 -3.727 1.00 0.00 C ATOM 0 H THR A 636 6.390 -1.010 -1.752 1.00 0.00 H new ATOM 0 HA THR A 636 4.251 0.913 -1.166 1.00 0.00 H new ATOM 0 HB THR A 636 3.276 0.796 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 636 4.270 -0.258 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 636 4.936 1.880 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 636 5.019 2.520 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.242 1.358 -3.669 1.00 0.00 H new ATOM 374 N ARG A 637 2.546 -1.079 -1.308 1.00 0.00 N ATOM 375 CA ARG A 637 1.629 -2.156 -0.983 1.00 0.00 C ATOM 376 C ARG A 637 0.286 -1.746 -1.549 1.00 0.00 C ATOM 377 O ARG A 637 -0.042 -0.553 -1.544 1.00 0.00 O ATOM 378 CB ARG A 637 1.543 -2.482 0.518 1.00 0.00 C ATOM 379 CG ARG A 637 1.096 -1.352 1.466 1.00 0.00 C ATOM 380 CD ARG A 637 0.478 -2.007 2.706 1.00 0.00 C ATOM 381 NE ARG A 637 0.108 -1.151 3.852 1.00 0.00 N ATOM 382 CZ ARG A 637 -0.198 0.147 3.976 1.00 0.00 C ATOM 383 NH1 ARG A 637 -0.185 1.009 2.969 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.528 0.603 5.174 1.00 0.00 N ATOM 0 H ARG A 637 2.064 -0.204 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 637 1.990 -3.086 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 637 0.854 -3.318 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.524 -2.827 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.945 -0.728 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.371 -0.703 0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.419 -2.538 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.181 -2.758 3.068 1.00 0.00 H new ATOM 0 HE ARG A 637 0.080 -1.656 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.069 0.695 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.429 1.986 3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.545 -0.030 5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.766 1.587 5.297 1.00 0.00 H new ATOM 398 N GLN A 638 -0.495 -2.716 -2.000 1.00 0.00 N ATOM 399 CA GLN A 638 -1.804 -2.456 -2.556 1.00 0.00 C ATOM 400 C GLN A 638 -2.812 -3.452 -2.000 1.00 0.00 C ATOM 401 O GLN A 638 -2.520 -4.233 -1.092 1.00 0.00 O ATOM 402 CB GLN A 638 -1.738 -2.413 -4.094 1.00 0.00 C ATOM 403 CG GLN A 638 -1.484 -3.764 -4.777 1.00 0.00 C ATOM 404 CD GLN A 638 -1.983 -3.754 -6.214 1.00 0.00 C ATOM 405 OE1 GLN A 638 -1.210 -3.891 -7.158 1.00 0.00 O ATOM 406 NE2 GLN A 638 -3.283 -3.637 -6.435 1.00 0.00 N ATOM 0 H GLN A 638 -0.235 -3.702 -1.989 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.154 -1.470 -2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.676 -2.005 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -0.949 -1.721 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -0.417 -3.988 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -1.985 -4.556 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -3.925 -3.523 -5.651 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -3.642 -3.661 -7.389 1.00 0.00 H new ATOM 415 N ARG A 639 -4.026 -3.365 -2.523 1.00 0.00 N ATOM 416 CA ARG A 639 -5.177 -4.198 -2.212 1.00 0.00 C ATOM 417 C ARG A 639 -6.087 -4.171 -3.443 1.00 0.00 C ATOM 418 O ARG A 639 -5.697 -3.614 -4.479 1.00 0.00 O ATOM 419 CB ARG A 639 -5.837 -3.721 -0.916 1.00 0.00 C ATOM 420 CG ARG A 639 -6.127 -2.218 -0.920 1.00 0.00 C ATOM 421 CD ARG A 639 -6.986 -1.911 0.292 1.00 0.00 C ATOM 422 NE ARG A 639 -7.114 -0.478 0.516 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.646 0.049 1.615 1.00 0.00 C ATOM 424 NH1 ARG A 639 -8.196 -0.714 2.556 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.618 1.360 1.741 1.00 0.00 N ATOM 0 H ARG A 639 -4.248 -2.660 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.908 -5.236 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.769 -4.266 -0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -5.188 -3.960 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.198 -1.649 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.642 -1.930 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.976 -2.347 0.156 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.550 -2.379 1.174 1.00 0.00 H new ATOM 0 HE ARG A 639 -6.778 0.156 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -8.216 -1.728 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.597 -0.285 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.198 1.934 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.016 1.801 2.570 1.00 0.00 H new ATOM 439 N MET A 640 -7.281 -4.757 -3.360 1.00 0.00 N ATOM 440 CA MET A 640 -8.257 -4.815 -4.447 1.00 0.00 C ATOM 441 C MET A 640 -9.643 -4.542 -3.866 1.00 0.00 C ATOM 442 O MET A 640 -9.952 -5.030 -2.781 1.00 0.00 O ATOM 443 CB MET A 640 -8.233 -6.212 -5.086 1.00 0.00 C ATOM 444 CG MET A 640 -6.904 -6.604 -5.751 1.00 0.00 C ATOM 445 SD MET A 640 -6.754 -8.356 -6.206 1.00 0.00 S ATOM 446 CE MET A 640 -8.078 -8.503 -7.429 1.00 0.00 C ATOM 0 H MET A 640 -7.605 -5.218 -2.510 1.00 0.00 H new ATOM 0 HA MET A 640 -8.016 -4.073 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.468 -6.949 -4.318 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.025 -6.266 -5.833 1.00 0.00 H new ATOM 0 HG2 MET A 640 -6.773 -6.000 -6.649 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.088 -6.350 -5.074 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.069 -9.506 -7.856 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.039 -8.322 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 640 -7.925 -7.770 -8.221 1.00 0.00 H new ATOM 456 N LEU A 641 -10.495 -3.789 -4.570 1.00 0.00 N ATOM 457 CA LEU A 641 -11.849 -3.481 -4.099 1.00 0.00 C ATOM 458 C LEU A 641 -12.592 -4.779 -3.845 1.00 0.00 C ATOM 459 O LEU A 641 -12.521 -5.702 -4.655 1.00 0.00 O ATOM 460 CB LEU A 641 -12.597 -2.656 -5.153 1.00 0.00 C ATOM 461 CG LEU A 641 -14.099 -2.398 -4.939 1.00 0.00 C ATOM 462 CD1 LEU A 641 -14.460 -1.038 -5.534 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.939 -3.456 -5.676 1.00 0.00 C ATOM 0 H LEU A 641 -10.268 -3.379 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.790 -2.903 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -12.101 -1.689 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -12.478 -3.156 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.305 -2.435 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -15.523 -0.847 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.879 -0.259 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -14.235 -1.036 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.998 -3.258 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -14.722 -3.414 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -14.693 -4.447 -5.294 1.00 0.00 H new ATOM 475 N LYS A 642 -13.349 -4.826 -2.752 1.00 0.00 N ATOM 476 CA LYS A 642 -14.133 -5.994 -2.371 1.00 0.00 C ATOM 477 C LYS A 642 -15.619 -5.644 -2.349 1.00 0.00 C ATOM 478 O LYS A 642 -16.399 -6.451 -1.850 1.00 0.00 O ATOM 479 CB LYS A 642 -13.585 -6.567 -1.042 1.00 0.00 C ATOM 480 CG LYS A 642 -13.724 -8.096 -0.926 1.00 0.00 C ATOM 481 CD LYS A 642 -14.854 -8.564 0.003 1.00 0.00 C ATOM 482 CE LYS A 642 -15.264 -10.004 -0.330 1.00 0.00 C ATOM 483 NZ LYS A 642 -16.100 -10.090 -1.548 1.00 0.00 N ATOM 0 H LYS A 642 -13.435 -4.046 -2.101 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.035 -6.790 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.533 -6.298 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.111 -6.099 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.894 -8.509 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -12.781 -8.508 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -14.527 -8.504 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -15.714 -7.902 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -14.369 -10.611 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -15.812 -10.426 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -16.461 -11.060 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -16.899 -9.429 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -15.528 -9.842 -2.380 1.00 0.00 H new ATOM 497 N SER A 643 -16.032 -4.473 -2.856 1.00 0.00 N ATOM 498 CA SER A 643 -17.459 -4.134 -2.807 1.00 0.00 C ATOM 499 C SER A 643 -18.241 -5.111 -3.684 1.00 0.00 C ATOM 500 O SER A 643 -17.700 -5.605 -4.681 1.00 0.00 O ATOM 501 CB SER A 643 -17.705 -2.674 -3.225 1.00 0.00 C ATOM 502 OG SER A 643 -19.058 -2.302 -3.032 1.00 0.00 O ATOM 0 H SER A 643 -15.428 -3.773 -3.287 1.00 0.00 H new ATOM 0 HA SER A 643 -17.811 -4.226 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.059 -2.014 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.436 -2.544 -4.273 1.00 0.00 H new ATOM 0 HG SER A 643 -19.244 -1.476 -3.525 1.00 0.00 H new ATOM 508 N LEU A 644 -19.511 -5.364 -3.342 1.00 0.00 N ATOM 509 CA LEU A 644 -20.390 -6.254 -4.102 1.00 0.00 C ATOM 510 C LEU A 644 -20.525 -5.756 -5.538 1.00 0.00 C ATOM 511 O LEU A 644 -20.800 -6.558 -6.427 1.00 0.00 O ATOM 512 CB LEU A 644 -21.778 -6.450 -3.464 1.00 0.00 C ATOM 513 CG LEU A 644 -22.728 -5.232 -3.501 1.00 0.00 C ATOM 514 CD1 LEU A 644 -24.175 -5.692 -3.313 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.400 -4.233 -2.387 1.00 0.00 C ATOM 0 H LEU A 644 -19.958 -4.952 -2.523 1.00 0.00 H new ATOM 0 HA LEU A 644 -19.917 -7.236 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -22.270 -7.283 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -21.638 -6.743 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 644 -22.599 -4.748 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -24.838 -4.827 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -24.444 -6.381 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -24.275 -6.195 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -23.087 -3.388 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.502 -4.722 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.377 -3.877 -2.507 1.00 0.00 H new ATOM 527 N ALA A 645 -20.328 -4.456 -5.770 1.00 0.00 N ATOM 528 CA ALA A 645 -20.370 -3.813 -7.063 1.00 0.00 C ATOM 529 C ALA A 645 -19.246 -2.772 -7.062 1.00 0.00 C ATOM 530 O ALA A 645 -18.118 -3.081 -7.452 1.00 0.00 O ATOM 531 CB ALA A 645 -21.767 -3.265 -7.384 1.00 0.00 C ATOM 0 H ALA A 645 -20.125 -3.800 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 645 -20.195 -4.515 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -21.755 -2.790 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -22.487 -4.083 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.053 -2.532 -6.629 1.00 0.00 H new ATOM 537 N GLU A 646 -19.487 -1.568 -6.543 1.00 0.00 N ATOM 538 CA GLU A 646 -18.544 -0.459 -6.478 1.00 0.00 C ATOM 539 C GLU A 646 -18.868 0.377 -5.226 1.00 0.00 C ATOM 540 O GLU A 646 -19.781 0.028 -4.477 1.00 0.00 O ATOM 541 CB GLU A 646 -18.733 0.293 -7.812 1.00 0.00 C ATOM 542 CG GLU A 646 -18.019 1.635 -7.969 1.00 0.00 C ATOM 543 CD GLU A 646 -18.220 2.260 -9.359 1.00 0.00 C ATOM 544 OE1 GLU A 646 -19.145 1.859 -10.099 1.00 0.00 O ATOM 545 OE2 GLU A 646 -17.536 3.252 -9.684 1.00 0.00 O ATOM 0 H GLU A 646 -20.392 -1.331 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.498 -0.746 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -18.401 -0.362 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -19.800 0.460 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -18.384 2.326 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -16.953 1.497 -7.789 1.00 0.00 H new ATOM 552 N LEU A 647 -18.074 1.399 -4.904 1.00 0.00 N ATOM 553 CA LEU A 647 -18.254 2.318 -3.781 1.00 0.00 C ATOM 554 C LEU A 647 -17.425 3.569 -4.070 1.00 0.00 C ATOM 555 O LEU A 647 -16.477 3.503 -4.856 1.00 0.00 O ATOM 556 CB LEU A 647 -17.966 1.688 -2.411 1.00 0.00 C ATOM 557 CG LEU A 647 -16.524 1.428 -1.963 1.00 0.00 C ATOM 558 CD1 LEU A 647 -15.674 0.648 -2.961 1.00 0.00 C ATOM 559 CD2 LEU A 647 -15.759 2.662 -1.491 1.00 0.00 C ATOM 0 H LEU A 647 -17.242 1.619 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 647 -19.307 2.590 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -18.426 2.329 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -18.490 0.733 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 647 -16.684 0.791 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -14.671 0.513 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -16.127 -0.327 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -15.616 1.200 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -14.750 2.374 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -15.706 3.389 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.274 3.105 -0.639 1.00 0.00 H new ATOM 571 N GLY A 648 -17.740 4.683 -3.416 1.00 0.00 N ATOM 572 CA GLY A 648 -17.049 5.954 -3.585 1.00 0.00 C ATOM 573 C GLY A 648 -17.679 6.942 -2.621 1.00 0.00 C ATOM 574 O GLY A 648 -18.506 7.758 -3.029 1.00 0.00 O ATOM 0 H GLY A 648 -18.501 4.726 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -15.984 5.843 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -17.141 6.308 -4.612 1.00 0.00 H new ATOM 578 N ASP A 649 -17.355 6.806 -1.335 1.00 0.00 N ATOM 579 CA ASP A 649 -17.890 7.656 -0.268 1.00 0.00 C ATOM 580 C ASP A 649 -16.839 7.928 0.813 1.00 0.00 C ATOM 581 O ASP A 649 -16.838 9.015 1.390 1.00 0.00 O ATOM 582 CB ASP A 649 -19.118 6.978 0.389 1.00 0.00 C ATOM 583 CG ASP A 649 -20.493 7.615 0.130 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.673 8.456 -0.786 1.00 0.00 O ATOM 585 OD2 ASP A 649 -21.415 7.293 0.908 1.00 0.00 O ATOM 0 H ASP A 649 -16.706 6.094 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 649 -18.181 8.604 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -19.155 5.943 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -18.954 6.953 1.466 1.00 0.00 H new ATOM 590 N CYS A 650 -16.017 6.935 1.165 1.00 0.00 N ATOM 591 CA CYS A 650 -14.962 7.032 2.173 1.00 0.00 C ATOM 592 C CYS A 650 -13.729 7.726 1.592 1.00 0.00 C ATOM 593 O CYS A 650 -13.720 8.132 0.431 1.00 0.00 O ATOM 594 CB CYS A 650 -14.578 5.629 2.641 1.00 0.00 C ATOM 595 SG CYS A 650 -15.784 4.804 3.697 1.00 0.00 S ATOM 0 H CYS A 650 -16.071 6.010 0.740 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.333 7.617 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.405 5.007 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.632 5.691 3.179 1.00 0.00 H new ATOM 600 N ASN A 651 -12.673 7.856 2.395 1.00 0.00 N ATOM 601 CA ASN A 651 -11.430 8.494 1.985 1.00 0.00 C ATOM 602 C ASN A 651 -10.276 7.500 2.118 1.00 0.00 C ATOM 603 O ASN A 651 -9.485 7.596 3.061 1.00 0.00 O ATOM 604 CB ASN A 651 -11.236 9.801 2.780 1.00 0.00 C ATOM 605 CG ASN A 651 -10.090 10.671 2.274 1.00 0.00 C ATOM 606 OD1 ASN A 651 -10.289 11.827 1.909 1.00 0.00 O ATOM 607 ND2 ASN A 651 -8.858 10.192 2.301 1.00 0.00 N ATOM 0 H ASN A 651 -12.660 7.517 3.357 1.00 0.00 H new ATOM 0 HA ASN A 651 -11.462 8.780 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -12.160 10.378 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.057 9.554 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -8.075 10.782 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -8.690 9.232 2.604 1.00 0.00 H new ATOM 614 N GLU A 652 -10.191 6.519 1.217 1.00 0.00 N ATOM 615 CA GLU A 652 -9.117 5.523 1.185 1.00 0.00 C ATOM 616 C GLU A 652 -8.599 5.375 -0.255 1.00 0.00 C ATOM 617 O GLU A 652 -9.098 6.051 -1.156 1.00 0.00 O ATOM 618 CB GLU A 652 -9.546 4.186 1.802 1.00 0.00 C ATOM 619 CG GLU A 652 -10.451 3.336 0.928 1.00 0.00 C ATOM 620 CD GLU A 652 -11.879 3.857 0.958 1.00 0.00 C ATOM 621 OE1 GLU A 652 -12.565 3.459 1.921 1.00 0.00 O ATOM 622 OE2 GLU A 652 -12.275 4.631 0.058 1.00 0.00 O ATOM 0 H GLU A 652 -10.879 6.392 0.475 1.00 0.00 H new ATOM 0 HA GLU A 652 -8.295 5.874 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -8.652 3.610 2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -10.058 4.385 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -10.080 3.338 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -10.429 2.302 1.272 1.00 0.00 H new ATOM 629 N ASP A 653 -7.625 4.490 -0.492 1.00 0.00 N ATOM 630 CA ASP A 653 -7.011 4.239 -1.804 1.00 0.00 C ATOM 631 C ASP A 653 -6.751 2.743 -1.971 1.00 0.00 C ATOM 632 O ASP A 653 -6.904 1.984 -0.999 1.00 0.00 O ATOM 633 CB ASP A 653 -5.681 5.001 -1.940 1.00 0.00 C ATOM 634 CG ASP A 653 -5.750 6.434 -1.428 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.476 6.614 -0.216 1.00 0.00 O ATOM 636 OD2 ASP A 653 -6.039 7.374 -2.205 1.00 0.00 O ATOM 0 H ASP A 653 -7.228 3.909 0.247 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.697 4.587 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -4.906 4.464 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.382 5.011 -2.988 1.00 0.00 H new ATOM 641 N LEU A 654 -6.315 2.314 -3.165 1.00 0.00 N ATOM 642 CA LEU A 654 -6.032 0.918 -3.479 1.00 0.00 C ATOM 643 C LEU A 654 -4.535 0.639 -3.430 1.00 0.00 C ATOM 644 O LEU A 654 -4.172 -0.521 -3.260 1.00 0.00 O ATOM 645 CB LEU A 654 -6.634 0.536 -4.845 1.00 0.00 C ATOM 646 CG LEU A 654 -8.152 0.265 -4.818 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.687 0.116 -6.246 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.497 -1.008 -4.033 1.00 0.00 C ATOM 0 H LEU A 654 -6.148 2.945 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.504 0.294 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.433 1.339 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.125 -0.353 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.617 1.116 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.760 -0.075 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.498 1.034 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.184 -0.717 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.576 -1.159 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.008 -1.865 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.152 -0.906 -3.004 1.00 0.00 H new ATOM 660 N GLU A 655 -3.672 1.662 -3.517 1.00 0.00 N ATOM 661 CA GLU A 655 -2.215 1.540 -3.452 1.00 0.00 C ATOM 662 C GLU A 655 -1.647 2.702 -2.634 1.00 0.00 C ATOM 663 O GLU A 655 -2.104 3.842 -2.756 1.00 0.00 O ATOM 664 CB GLU A 655 -1.580 1.451 -4.839 1.00 0.00 C ATOM 665 CG GLU A 655 -0.037 1.408 -4.700 1.00 0.00 C ATOM 666 CD GLU A 655 0.728 0.741 -5.846 1.00 0.00 C ATOM 667 OE1 GLU A 655 0.611 -0.494 -6.032 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.546 1.435 -6.494 1.00 0.00 O ATOM 0 H GLU A 655 -3.983 2.626 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 655 -1.966 0.603 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -1.934 0.559 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -1.878 2.309 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.326 2.431 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.209 0.886 -3.775 1.00 0.00 H new ATOM 675 N GLN A 656 -0.648 2.405 -1.800 1.00 0.00 N ATOM 676 CA GLN A 656 0.055 3.334 -0.926 1.00 0.00 C ATOM 677 C GLN A 656 1.560 3.060 -1.008 1.00 0.00 C ATOM 678 O GLN A 656 1.984 1.945 -1.326 1.00 0.00 O ATOM 679 CB GLN A 656 -0.475 3.168 0.510 1.00 0.00 C ATOM 680 CG GLN A 656 -1.443 4.281 0.946 1.00 0.00 C ATOM 681 CD GLN A 656 -0.728 5.572 1.345 1.00 0.00 C ATOM 682 OE1 GLN A 656 0.354 5.551 1.928 1.00 0.00 O ATOM 683 NE2 GLN A 656 -1.278 6.737 1.064 1.00 0.00 N ATOM 0 H GLN A 656 -0.291 1.453 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 656 -0.118 4.364 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.981 2.206 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.370 3.143 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -2.135 4.493 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.039 3.927 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -2.175 6.774 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -0.806 7.601 1.330 1.00 0.00 H new ATOM 692 N ALA A 657 2.365 4.071 -0.667 1.00 0.00 N ATOM 693 CA ALA A 657 3.827 4.014 -0.697 1.00 0.00 C ATOM 694 C ALA A 657 4.455 4.640 0.549 1.00 0.00 C ATOM 695 O ALA A 657 3.844 5.501 1.185 1.00 0.00 O ATOM 696 CB ALA A 657 4.314 4.755 -1.945 1.00 0.00 C ATOM 0 H ALA A 657 2.007 4.974 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 657 4.130 2.967 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.403 4.724 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 657 3.904 4.277 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 657 3.982 5.793 -1.905 1.00 0.00 H new ATOM 702 N GLU A 658 5.686 4.254 0.886 1.00 0.00 N ATOM 703 CA GLU A 658 6.437 4.749 2.040 1.00 0.00 C ATOM 704 C GLU A 658 7.916 4.869 1.687 1.00 0.00 C ATOM 705 O GLU A 658 8.386 4.226 0.744 1.00 0.00 O ATOM 706 CB GLU A 658 6.286 3.759 3.210 1.00 0.00 C ATOM 707 CG GLU A 658 6.802 4.206 4.587 1.00 0.00 C ATOM 708 CD GLU A 658 6.258 5.549 5.080 1.00 0.00 C ATOM 709 OE1 GLU A 658 6.511 6.589 4.431 1.00 0.00 O ATOM 710 OE2 GLU A 658 5.674 5.589 6.192 1.00 0.00 O ATOM 0 H GLU A 658 6.206 3.564 0.344 1.00 0.00 H new ATOM 0 HA GLU A 658 6.048 5.727 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.228 3.515 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.802 2.838 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.550 3.439 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.890 4.264 4.549 1.00 0.00 H new ATOM 717 N LYS A 659 8.653 5.705 2.427 1.00 0.00 N ATOM 718 CA LYS A 659 10.080 5.870 2.187 1.00 0.00 C ATOM 719 C LYS A 659 10.807 4.591 2.573 1.00 0.00 C ATOM 720 O LYS A 659 10.314 3.788 3.373 1.00 0.00 O ATOM 721 CB LYS A 659 10.694 7.087 2.914 1.00 0.00 C ATOM 722 CG LYS A 659 10.871 7.011 4.440 1.00 0.00 C ATOM 723 CD LYS A 659 9.596 7.154 5.275 1.00 0.00 C ATOM 724 CE LYS A 659 8.990 8.571 5.278 1.00 0.00 C ATOM 725 NZ LYS A 659 8.113 8.894 4.130 1.00 0.00 N ATOM 0 H LYS A 659 8.283 6.271 3.190 1.00 0.00 H new ATOM 0 HA LYS A 659 10.205 6.069 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.673 7.278 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.072 7.954 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 659 11.335 6.056 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.569 7.791 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 659 8.850 6.454 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 659 9.815 6.864 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 659 8.418 8.700 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.804 9.295 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 7.456 9.654 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 8.694 9.207 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 7.572 8.048 3.858 1.00 0.00 H new ATOM 739 N CYS A 660 11.988 4.413 2.002 1.00 0.00 N ATOM 740 CA CYS A 660 12.860 3.292 2.254 1.00 0.00 C ATOM 741 C CYS A 660 14.277 3.760 1.899 1.00 0.00 C ATOM 742 O CYS A 660 14.445 4.711 1.135 1.00 0.00 O ATOM 743 CB CYS A 660 12.425 2.099 1.378 1.00 0.00 C ATOM 744 SG CYS A 660 13.608 1.738 0.036 1.00 0.00 S ATOM 0 H CYS A 660 12.373 5.073 1.327 1.00 0.00 H new ATOM 0 HA CYS A 660 12.820 2.963 3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 660 12.314 1.215 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.446 2.309 0.947 1.00 0.00 H new ATOM 749 N MET A 661 15.315 3.121 2.431 1.00 0.00 N ATOM 750 CA MET A 661 16.691 3.447 2.119 1.00 0.00 C ATOM 751 C MET A 661 17.480 2.181 2.397 1.00 0.00 C ATOM 752 O MET A 661 17.865 1.910 3.534 1.00 0.00 O ATOM 753 CB MET A 661 17.281 4.605 2.919 1.00 0.00 C ATOM 754 CG MET A 661 16.419 5.864 3.055 1.00 0.00 C ATOM 755 SD MET A 661 17.109 7.138 4.137 1.00 0.00 S ATOM 756 CE MET A 661 17.485 6.118 5.590 1.00 0.00 C ATOM 0 H MET A 661 15.217 2.355 3.097 1.00 0.00 H new ATOM 0 HA MET A 661 16.740 3.784 1.084 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.512 4.242 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 661 18.226 4.889 2.457 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.266 6.292 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.438 5.577 3.434 1.00 0.00 H new ATOM 0 HE1 MET A 661 17.457 6.737 6.486 1.00 0.00 H new ATOM 0 HE2 MET A 661 16.746 5.321 5.677 1.00 0.00 H new ATOM 0 HE3 MET A 661 18.478 5.681 5.481 1.00 0.00 H new ATOM 766 N LEU A 662 17.628 1.349 1.378 1.00 0.00 N ATOM 767 CA LEU A 662 18.393 0.122 1.562 1.00 0.00 C ATOM 768 C LEU A 662 19.877 0.491 1.664 1.00 0.00 C ATOM 769 O LEU A 662 20.280 1.585 1.241 1.00 0.00 O ATOM 770 CB LEU A 662 18.093 -0.877 0.434 1.00 0.00 C ATOM 771 CG LEU A 662 16.936 -1.840 0.775 1.00 0.00 C ATOM 772 CD1 LEU A 662 15.708 -1.182 1.412 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.443 -2.636 -0.400 1.00 0.00 C ATOM 0 H LEU A 662 17.244 1.491 0.444 1.00 0.00 H new ATOM 0 HA LEU A 662 18.104 -0.381 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 662 17.846 -0.328 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 662 18.991 -1.457 0.221 1.00 0.00 H new ATOM 0 HG LEU A 662 17.410 -2.493 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 662 14.952 -1.941 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 662 15.997 -0.700 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 662 15.300 -0.436 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.631 -3.289 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.082 -1.958 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 662 17.259 -3.239 -0.799 1.00 0.00 H new ATOM 785 N PRO A 663 20.704 -0.394 2.231 1.00 0.00 N ATOM 786 CA PRO A 663 22.128 -0.141 2.353 1.00 0.00 C ATOM 787 C PRO A 663 22.716 -0.146 0.937 1.00 0.00 C ATOM 788 O PRO A 663 22.231 -0.871 0.066 1.00 0.00 O ATOM 789 CB PRO A 663 22.647 -1.230 3.286 1.00 0.00 C ATOM 790 CG PRO A 663 21.663 -2.381 3.083 1.00 0.00 C ATOM 791 CD PRO A 663 20.339 -1.699 2.751 1.00 0.00 C ATOM 0 HA PRO A 663 22.406 0.822 2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 663 23.665 -1.524 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 663 22.662 -0.895 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 663 21.984 -3.039 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 663 21.579 -2.994 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 663 19.774 -2.272 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 663 19.710 -1.608 3.636 1.00 0.00 H new ATOM 799 N GLU A 664 23.740 0.666 0.683 1.00 0.00 N ATOM 800 CA GLU A 664 24.330 0.775 -0.644 1.00 0.00 C ATOM 801 C GLU A 664 24.877 -0.528 -1.235 1.00 0.00 C ATOM 802 O GLU A 664 25.376 -1.419 -0.536 1.00 0.00 O ATOM 803 CB GLU A 664 25.320 1.939 -0.712 1.00 0.00 C ATOM 804 CG GLU A 664 26.711 1.664 -0.135 1.00 0.00 C ATOM 805 CD GLU A 664 27.352 3.009 0.178 1.00 0.00 C ATOM 806 OE1 GLU A 664 27.860 3.669 -0.758 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.229 3.479 1.334 1.00 0.00 O ATOM 0 H GLU A 664 24.179 1.261 1.386 1.00 0.00 H new ATOM 0 HA GLU A 664 23.499 1.003 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 664 25.432 2.236 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 664 24.889 2.789 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 664 26.638 1.055 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 664 27.318 1.107 -0.848 1.00 0.00 H new ATOM 814 N CYS A 665 24.728 -0.615 -2.556 1.00 0.00 N ATOM 815 CA CYS A 665 25.181 -1.743 -3.362 1.00 0.00 C ATOM 816 C CYS A 665 26.699 -1.671 -3.561 1.00 0.00 C ATOM 817 O CYS A 665 27.230 -0.557 -3.631 1.00 0.00 O ATOM 818 CB CYS A 665 24.565 -1.725 -4.773 1.00 0.00 C ATOM 819 SG CYS A 665 22.879 -2.370 -4.960 1.00 0.00 S ATOM 0 H CYS A 665 24.278 0.116 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 665 24.878 -2.644 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 665 24.573 -0.695 -5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.219 -2.296 -5.433 1.00 0.00 H new ATOM 824 N PRO A 666 27.366 -2.832 -3.679 1.00 0.00 N ATOM 825 CA PRO A 666 28.796 -2.911 -3.917 1.00 0.00 C ATOM 826 C PRO A 666 29.063 -2.737 -5.421 1.00 0.00 C ATOM 827 O PRO A 666 30.251 -2.658 -5.782 1.00 0.00 O ATOM 828 CB PRO A 666 29.191 -4.312 -3.446 1.00 0.00 C ATOM 829 CG PRO A 666 27.969 -5.140 -3.839 1.00 0.00 C ATOM 830 CD PRO A 666 26.805 -4.177 -3.603 1.00 0.00 C ATOM 0 HA PRO A 666 29.365 -2.141 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 666 30.098 -4.666 -3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 666 29.376 -4.344 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 666 28.019 -5.464 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 666 27.878 -6.039 -3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 666 26.026 -4.317 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 666 26.346 -4.353 -2.630 1.00 0.00 H new TER 838 PRO A 666