USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 672 GLN : amide:sc= -3.03! K(o=-3.8!,f=0.27) USER MOD Set 1.2: A 679 THR OG1 : rot 140:sc= -0.797 USER MOD Set 2.1: A 640 ASN : amide:sc= -2.89! C(o=-2.8!,f=-1.5!) USER MOD Set 2.2: A 658 TYR OH : rot 41:sc= 0.0945 USER MOD Set 3.1: A 651 HIS : no HD1:sc= -3.97! K(o=-4.1!,f=-2.7) USER MOD Set 3.2: A 652 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 573 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 577 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.54) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 LYS NZ :NH3+ -113:sc= 1.31 (180deg=-0.6!) USER MOD Single : A 586 GLN : amide:sc= -2.07 K(o=-2.1,f=-0.26) USER MOD Single : A 587 TYR OH : rot 173:sc= -0.286 USER MOD Single : A 588 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.0178) USER MOD Single : A 594 LYS NZ :NH3+ -104:sc= 0.977 (180deg=-2.44!) USER MOD Single : A 596 SER OG : rot 180:sc= 0.173 USER MOD Single : A 598 LYS NZ :NH3+ 168:sc= -0.0048 (180deg=-0.142) USER MOD Single : A 602 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.6!) USER MOD Single : A 608 SER OG : rot 43:sc= 0.0716 USER MOD Single : A 610 GLN : amide:sc= -6.17! C(o=-6.2!,f=-1.3!) USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 617 SER OG : rot 180:sc= -1.18 USER MOD Single : A 624 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.07) USER MOD Single : A 626 GLN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : A 628 GLN : amide:sc= -0.335 K(o=-0.33,f=-1) USER MOD Single : A 629 SER OG : rot 180:sc= 0 USER MOD Single : A 638 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.9) USER MOD Single : A 642 LYS NZ :NH3+ -163:sc= 2.56 (180deg=1.77) USER MOD Single : A 644 LYS NZ :NH3+ -141:sc= -0.166 (180deg=-0.675) USER MOD Single : A 645 THR OG1 : rot 43:sc= 0.0593 USER MOD Single : A 646 LYS NZ :NH3+ -113:sc=-0.000904 (180deg=-1.59!) USER MOD Single : A 649 TYR OH : rot -93:sc= -1.54! USER MOD Single : A 657 TYR OH : rot 36:sc= 1.24 USER MOD Single : A 660 ASN : amide:sc= 0.657 K(o=0.66,f=0) USER MOD Single : A 665 MET CE :methyl -111:sc= -0.388 (180deg=-3.55) USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 669 ASN : amide:sc= -0.087 X(o=-0.087,f=-0.3) USER MOD Single : A 670 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.24) USER MOD Single : A 680 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 84 N GLU A 568 24.303 -11.830 -1.847 1.00 0.00 N ATOM 85 CA GLU A 568 23.236 -11.466 -0.919 1.00 0.00 C ATOM 86 C GLU A 568 22.557 -10.249 -1.539 1.00 0.00 C ATOM 87 O GLU A 568 22.875 -9.898 -2.689 1.00 0.00 O ATOM 88 CB GLU A 568 23.757 -11.130 0.524 1.00 0.00 C ATOM 89 CG GLU A 568 24.373 -9.739 0.738 1.00 0.00 C ATOM 90 CD GLU A 568 25.563 -9.439 -0.118 1.00 0.00 C ATOM 91 OE1 GLU A 568 26.683 -9.765 0.286 1.00 0.00 O ATOM 92 OE2 GLU A 568 25.407 -8.845 -1.205 1.00 0.00 O ATOM 0 HA GLU A 568 22.556 -12.307 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 568 22.925 -11.242 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 568 24.503 -11.876 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 568 23.608 -8.986 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 568 24.663 -9.643 1.784 1.00 0.00 H new ATOM 99 N CYS A 569 21.646 -9.636 -0.843 1.00 0.00 N ATOM 100 CA CYS A 569 21.075 -8.397 -1.300 1.00 0.00 C ATOM 101 C CYS A 569 21.798 -7.241 -0.638 1.00 0.00 C ATOM 102 O CYS A 569 22.152 -7.314 0.533 1.00 0.00 O ATOM 103 CB CYS A 569 19.599 -8.317 -0.955 1.00 0.00 C ATOM 104 SG CYS A 569 18.547 -9.530 -1.774 1.00 0.00 S ATOM 0 H CYS A 569 21.279 -9.973 0.047 1.00 0.00 H new ATOM 0 HA CYS A 569 21.184 -8.346 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 569 19.488 -8.434 0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 569 19.238 -7.320 -1.206 1.00 0.00 H new ATOM 109 N GLU A 570 22.029 -6.205 -1.363 1.00 0.00 N ATOM 110 CA GLU A 570 22.633 -5.021 -0.822 1.00 0.00 C ATOM 111 C GLU A 570 21.701 -3.880 -1.169 1.00 0.00 C ATOM 112 O GLU A 570 21.265 -3.792 -2.322 1.00 0.00 O ATOM 113 CB GLU A 570 24.014 -4.797 -1.446 1.00 0.00 C ATOM 114 CG GLU A 570 24.792 -3.652 -0.829 1.00 0.00 C ATOM 115 CD GLU A 570 26.135 -3.447 -1.473 1.00 0.00 C ATOM 116 OE1 GLU A 570 27.062 -4.243 -1.218 1.00 0.00 O ATOM 117 OE2 GLU A 570 26.303 -2.480 -2.248 1.00 0.00 O ATOM 0 H GLU A 570 21.806 -6.146 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 570 22.777 -5.101 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 570 24.598 -5.713 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 570 23.893 -4.607 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 570 24.209 -2.735 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 570 24.930 -3.844 0.235 1.00 0.00 H new ATOM 124 N LEU A 571 21.353 -3.059 -0.181 1.00 0.00 N ATOM 125 CA LEU A 571 20.421 -1.936 -0.363 1.00 0.00 C ATOM 126 C LEU A 571 20.911 -1.064 -1.539 1.00 0.00 C ATOM 127 O LEU A 571 22.046 -0.562 -1.519 1.00 0.00 O ATOM 128 CB LEU A 571 20.358 -1.106 0.943 1.00 0.00 C ATOM 129 CG LEU A 571 19.074 -0.278 1.252 1.00 0.00 C ATOM 130 CD1 LEU A 571 19.232 0.433 2.574 1.00 0.00 C ATOM 131 CD2 LEU A 571 18.739 0.735 0.171 1.00 0.00 C ATOM 0 H LEU A 571 21.707 -3.149 0.771 1.00 0.00 H new ATOM 0 HA LEU A 571 19.421 -2.306 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 571 20.516 -1.791 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 571 21.201 -0.415 0.934 1.00 0.00 H new ATOM 0 HG LEU A 571 18.247 -0.987 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 571 18.332 1.011 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 571 19.387 -0.300 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 571 20.091 1.103 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 571 17.835 1.277 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 571 19.565 1.438 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 571 18.576 0.218 -0.775 1.00 0.00 H new ATOM 143 N PRO A 572 20.090 -0.935 -2.587 1.00 0.00 N ATOM 144 CA PRO A 572 20.426 -0.156 -3.776 1.00 0.00 C ATOM 145 C PRO A 572 20.235 1.346 -3.538 1.00 0.00 C ATOM 146 O PRO A 572 20.252 1.817 -2.394 1.00 0.00 O ATOM 147 CB PRO A 572 19.417 -0.675 -4.803 1.00 0.00 C ATOM 148 CG PRO A 572 18.231 -1.034 -4.005 1.00 0.00 C ATOM 149 CD PRO A 572 18.749 -1.554 -2.701 1.00 0.00 C ATOM 0 HA PRO A 572 21.466 -0.266 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 572 19.180 0.086 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 572 19.808 -1.537 -5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 572 17.588 -0.167 -3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 572 17.632 -1.789 -4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 572 18.104 -1.268 -1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 572 18.808 -2.642 -2.699 1.00 0.00 H new ATOM 157 N LYS A 573 20.063 2.099 -4.590 1.00 0.00 N ATOM 158 CA LYS A 573 19.848 3.513 -4.439 1.00 0.00 C ATOM 159 C LYS A 573 18.371 3.789 -4.342 1.00 0.00 C ATOM 160 O LYS A 573 17.639 3.627 -5.315 1.00 0.00 O ATOM 161 CB LYS A 573 20.492 4.357 -5.572 1.00 0.00 C ATOM 162 CG LYS A 573 22.034 4.437 -5.549 1.00 0.00 C ATOM 163 CD LYS A 573 22.718 3.122 -5.914 1.00 0.00 C ATOM 164 CE LYS A 573 22.447 2.733 -7.359 1.00 0.00 C ATOM 165 NZ LYS A 573 23.071 1.445 -7.708 1.00 0.00 N ATOM 0 H LYS A 573 20.067 1.762 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 573 20.346 3.819 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 573 20.182 3.942 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 573 20.092 5.370 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 573 22.360 5.212 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 573 22.359 4.743 -4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 573 23.793 3.214 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 573 22.365 2.332 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 573 21.371 2.671 -7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 573 22.826 3.511 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 22.863 1.216 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 24.101 1.511 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 22.691 0.697 -7.093 1.00 0.00 H new ATOM 179 N ILE A 574 17.934 4.132 -3.154 1.00 0.00 N ATOM 180 CA ILE A 574 16.536 4.480 -2.913 1.00 0.00 C ATOM 181 C ILE A 574 16.284 5.913 -3.365 1.00 0.00 C ATOM 182 O ILE A 574 17.157 6.564 -3.975 1.00 0.00 O ATOM 183 CB ILE A 574 16.147 4.398 -1.397 1.00 0.00 C ATOM 184 CG1 ILE A 574 17.097 5.271 -0.577 1.00 0.00 C ATOM 185 CG2 ILE A 574 16.178 2.966 -0.896 1.00 0.00 C ATOM 186 CD1 ILE A 574 16.694 5.443 0.843 1.00 0.00 C ATOM 0 H ILE A 574 18.526 4.181 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 574 15.936 3.762 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 574 15.127 4.765 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 574 18.094 4.833 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 574 17.165 6.253 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 574 15.903 2.943 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 574 15.471 2.365 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 574 17.182 2.559 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 574 17.421 6.075 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 574 15.711 5.911 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 574 16.654 4.469 1.331 1.00 0.00 H new ATOM 193 N ASP A 575 15.123 6.403 -3.056 1.00 0.00 N ATOM 194 CA ASP A 575 14.771 7.788 -3.336 1.00 0.00 C ATOM 195 C ASP A 575 15.508 8.674 -2.351 1.00 0.00 C ATOM 196 O ASP A 575 15.905 8.219 -1.275 1.00 0.00 O ATOM 197 CB ASP A 575 13.303 8.028 -3.104 1.00 0.00 C ATOM 198 CG ASP A 575 12.822 9.326 -3.716 1.00 0.00 C ATOM 199 OD1 ASP A 575 12.558 9.374 -4.927 1.00 0.00 O ATOM 200 OD2 ASP A 575 12.756 10.344 -2.989 1.00 0.00 O ATOM 0 H ASP A 575 14.384 5.866 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 575 15.028 8.004 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 575 12.732 7.199 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 575 13.106 8.041 -2.032 1.00 0.00 H new ATOM 205 N VAL A 576 15.655 9.919 -2.679 1.00 0.00 N ATOM 206 CA VAL A 576 16.316 10.859 -1.808 1.00 0.00 C ATOM 207 C VAL A 576 15.480 11.122 -0.538 1.00 0.00 C ATOM 208 O VAL A 576 16.024 11.321 0.543 1.00 0.00 O ATOM 209 CB VAL A 576 16.660 12.189 -2.546 1.00 0.00 C ATOM 210 CG1 VAL A 576 15.409 12.889 -3.056 1.00 0.00 C ATOM 211 CG2 VAL A 576 17.492 13.121 -1.670 1.00 0.00 C ATOM 0 H VAL A 576 15.323 10.320 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 576 17.260 10.409 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 576 17.265 11.924 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 576 15.690 13.811 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 576 14.885 12.235 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 576 14.755 13.122 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 576 17.712 14.037 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 576 16.934 13.365 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 576 18.426 12.628 -1.398 1.00 0.00 H new ATOM 215 N HIS A 577 14.163 11.062 -0.660 1.00 0.00 N ATOM 216 CA HIS A 577 13.291 11.324 0.479 1.00 0.00 C ATOM 217 C HIS A 577 12.822 10.046 1.116 1.00 0.00 C ATOM 218 O HIS A 577 12.006 10.073 2.028 1.00 0.00 O ATOM 219 CB HIS A 577 12.085 12.180 0.082 1.00 0.00 C ATOM 220 CG HIS A 577 12.420 13.594 -0.243 1.00 0.00 C ATOM 221 ND1 HIS A 577 12.407 14.097 -1.516 1.00 0.00 N ATOM 222 CD2 HIS A 577 12.751 14.625 0.563 1.00 0.00 C ATOM 223 CE1 HIS A 577 12.721 15.369 -1.486 1.00 0.00 C ATOM 224 NE2 HIS A 577 12.935 15.715 -0.238 1.00 0.00 N ATOM 0 H HIS A 577 13.676 10.836 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 577 13.883 11.880 1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 577 11.600 11.726 -0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 577 11.361 12.168 0.897 1.00 0.00 H new ATOM 0 HD2 HIS A 577 12.851 14.594 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 577 12.792 16.022 -2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 577 13.197 16.648 0.082 1.00 0.00 H new ATOM 233 N LEU A 578 13.354 8.951 0.651 1.00 0.00 N ATOM 234 CA LEU A 578 12.970 7.632 1.107 1.00 0.00 C ATOM 235 C LEU A 578 13.958 7.225 2.183 1.00 0.00 C ATOM 236 O LEU A 578 15.100 7.688 2.187 1.00 0.00 O ATOM 237 CB LEU A 578 13.049 6.675 -0.111 1.00 0.00 C ATOM 238 CG LEU A 578 12.345 5.308 -0.130 1.00 0.00 C ATOM 239 CD1 LEU A 578 12.933 4.359 0.767 1.00 0.00 C ATOM 240 CD2 LEU A 578 10.869 5.402 0.029 1.00 0.00 C ATOM 0 H LEU A 578 14.079 8.943 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 578 11.960 7.605 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 578 12.675 7.231 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 578 14.107 6.484 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 578 12.512 4.918 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 578 12.390 3.416 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 578 13.975 4.196 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 578 12.882 4.742 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 578 10.436 4.402 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 578 10.635 5.877 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 578 10.452 5.996 -0.785 1.00 0.00 H new ATOM 252 N VAL A 579 13.506 6.425 3.093 1.00 0.00 N ATOM 253 CA VAL A 579 14.288 5.866 4.162 1.00 0.00 C ATOM 254 C VAL A 579 13.776 4.466 4.443 1.00 0.00 C ATOM 255 O VAL A 579 12.587 4.271 4.723 1.00 0.00 O ATOM 256 CB VAL A 579 14.253 6.725 5.480 1.00 0.00 C ATOM 257 CG1 VAL A 579 15.079 7.987 5.335 1.00 0.00 C ATOM 258 CG2 VAL A 579 12.821 7.095 5.869 1.00 0.00 C ATOM 0 H VAL A 579 12.532 6.125 3.117 1.00 0.00 H new ATOM 0 HA VAL A 579 15.329 5.852 3.840 1.00 0.00 H new ATOM 0 HB VAL A 579 14.683 6.109 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 579 15.035 8.559 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 579 16.114 7.722 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 579 14.683 8.589 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 579 12.834 7.688 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 579 12.364 7.675 5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 579 12.242 6.186 6.034 1.00 0.00 H new ATOM 262 N PRO A 580 14.607 3.460 4.270 1.00 0.00 N ATOM 263 CA PRO A 580 14.222 2.113 4.585 1.00 0.00 C ATOM 264 C PRO A 580 14.099 1.924 6.094 1.00 0.00 C ATOM 265 O PRO A 580 14.973 2.345 6.870 1.00 0.00 O ATOM 266 CB PRO A 580 15.348 1.253 4.009 1.00 0.00 C ATOM 267 CG PRO A 580 16.517 2.160 3.920 1.00 0.00 C ATOM 268 CD PRO A 580 15.975 3.543 3.724 1.00 0.00 C ATOM 0 HA PRO A 580 13.249 1.848 4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 580 15.560 0.398 4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 580 15.080 0.857 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 580 17.119 2.105 4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 580 17.164 1.877 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 580 16.573 4.286 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 580 15.970 3.826 2.671 1.00 0.00 H new ATOM 276 N ASP A 581 12.995 1.348 6.500 1.00 0.00 N ATOM 277 CA ASP A 581 12.727 1.032 7.891 1.00 0.00 C ATOM 278 C ASP A 581 13.707 -0.026 8.338 1.00 0.00 C ATOM 279 O ASP A 581 14.183 -0.012 9.465 1.00 0.00 O ATOM 280 CB ASP A 581 11.278 0.569 8.043 1.00 0.00 C ATOM 281 CG ASP A 581 10.937 0.041 9.396 1.00 0.00 C ATOM 282 OD1 ASP A 581 10.926 0.810 10.360 1.00 0.00 O ATOM 283 OD2 ASP A 581 10.597 -1.151 9.492 1.00 0.00 O ATOM 0 H ASP A 581 12.242 1.079 5.867 1.00 0.00 H new ATOM 0 HA ASP A 581 12.855 1.912 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 581 10.617 1.405 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 581 11.078 -0.206 7.303 1.00 0.00 H new ATOM 288 N ARG A 582 14.035 -0.908 7.417 1.00 0.00 N ATOM 289 CA ARG A 582 15.092 -1.860 7.621 1.00 0.00 C ATOM 290 C ARG A 582 16.361 -1.224 7.182 1.00 0.00 C ATOM 291 O ARG A 582 16.578 -1.050 5.991 1.00 0.00 O ATOM 292 CB ARG A 582 14.929 -3.119 6.777 1.00 0.00 C ATOM 293 CG ARG A 582 13.793 -4.016 7.128 1.00 0.00 C ATOM 294 CD ARG A 582 13.934 -4.574 8.520 1.00 0.00 C ATOM 295 NE ARG A 582 12.801 -5.424 8.864 1.00 0.00 N ATOM 296 CZ ARG A 582 11.908 -5.163 9.824 1.00 0.00 C ATOM 297 NH1 ARG A 582 12.056 -4.100 10.612 1.00 0.00 N ATOM 298 NH2 ARG A 582 10.890 -5.980 10.014 1.00 0.00 N ATOM 0 H ARG A 582 13.574 -0.980 6.510 1.00 0.00 H new ATOM 0 HA ARG A 582 15.080 -2.141 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 582 14.816 -2.818 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 582 15.852 -3.696 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 582 12.856 -3.464 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 582 13.741 -4.835 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 582 14.858 -5.148 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 582 14.009 -3.756 9.237 1.00 0.00 H new ATOM 0 HE ARG A 582 12.680 -6.285 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 582 12.855 -3.478 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 582 11.371 -3.907 11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 582 10.785 -6.809 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 582 10.208 -5.783 10.746 1.00 0.00 H new ATOM 312 N LYS A 583 17.158 -0.827 8.096 1.00 0.00 N ATOM 313 CA LYS A 583 18.433 -0.326 7.748 1.00 0.00 C ATOM 314 C LYS A 583 19.458 -1.231 8.365 1.00 0.00 C ATOM 315 O LYS A 583 19.741 -1.146 9.567 1.00 0.00 O ATOM 316 CB LYS A 583 18.644 1.118 8.205 1.00 0.00 C ATOM 317 CG LYS A 583 19.969 1.682 7.751 1.00 0.00 C ATOM 318 CD LYS A 583 20.251 3.022 8.372 1.00 0.00 C ATOM 319 CE LYS A 583 21.667 3.446 8.064 1.00 0.00 C ATOM 320 NZ LYS A 583 21.992 4.746 8.653 1.00 0.00 N ATOM 0 H LYS A 583 16.952 -0.838 9.095 1.00 0.00 H new ATOM 0 HA LYS A 583 18.525 -0.311 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 583 17.837 1.740 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 583 18.587 1.163 9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 583 20.767 0.987 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 583 19.970 1.778 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 583 19.549 3.764 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 583 20.105 2.970 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 583 22.360 2.694 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 583 21.804 3.493 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 22.973 4.999 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 21.348 5.469 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 21.887 4.695 9.686 1.00 0.00 H new ATOM 334 N LYS A 584 19.956 -2.142 7.593 1.00 0.00 N ATOM 335 CA LYS A 584 20.946 -3.048 8.092 1.00 0.00 C ATOM 336 C LYS A 584 22.297 -2.841 7.425 1.00 0.00 C ATOM 337 O LYS A 584 23.050 -1.963 7.856 1.00 0.00 O ATOM 338 CB LYS A 584 20.431 -4.515 8.180 1.00 0.00 C ATOM 339 CG LYS A 584 19.763 -5.060 6.922 1.00 0.00 C ATOM 340 CD LYS A 584 19.109 -6.412 7.166 1.00 0.00 C ATOM 341 CE LYS A 584 17.785 -6.240 7.898 1.00 0.00 C ATOM 342 NZ LYS A 584 17.290 -7.498 8.506 1.00 0.00 N ATOM 0 H LYS A 584 19.696 -2.281 6.616 1.00 0.00 H new ATOM 0 HA LYS A 584 21.137 -2.801 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 584 21.272 -5.161 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 584 19.721 -4.582 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 584 19.012 -4.351 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 584 20.505 -5.154 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 584 18.943 -6.919 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 584 19.776 -7.045 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 584 17.903 -5.488 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 584 17.038 -5.862 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 584 16.421 -7.800 8.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 584 18.014 -8.238 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 584 17.087 -7.340 9.514 1.00 0.00 H new ATOM 356 N ASP A 585 22.579 -3.569 6.381 1.00 0.00 N ATOM 357 CA ASP A 585 23.829 -3.413 5.610 1.00 0.00 C ATOM 358 C ASP A 585 23.714 -4.313 4.408 1.00 0.00 C ATOM 359 O ASP A 585 23.633 -3.858 3.267 1.00 0.00 O ATOM 360 CB ASP A 585 25.054 -3.843 6.436 1.00 0.00 C ATOM 361 CG ASP A 585 26.358 -3.222 5.965 1.00 0.00 C ATOM 362 OD1 ASP A 585 26.935 -3.652 4.964 1.00 0.00 O ATOM 363 OD2 ASP A 585 26.845 -2.285 6.641 1.00 0.00 O ATOM 0 H ASP A 585 21.961 -4.296 6.021 1.00 0.00 H new ATOM 0 HA ASP A 585 23.964 -2.368 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 585 24.890 -3.574 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 585 25.144 -4.929 6.397 1.00 0.00 H new ATOM 368 N GLN A 586 23.611 -5.596 4.698 1.00 0.00 N ATOM 369 CA GLN A 586 23.404 -6.621 3.708 1.00 0.00 C ATOM 370 C GLN A 586 22.134 -7.336 4.043 1.00 0.00 C ATOM 371 O GLN A 586 21.779 -7.491 5.212 1.00 0.00 O ATOM 372 CB GLN A 586 24.574 -7.602 3.596 1.00 0.00 C ATOM 373 CG GLN A 586 25.845 -6.974 3.053 1.00 0.00 C ATOM 374 CD GLN A 586 26.934 -6.790 4.101 1.00 0.00 C ATOM 375 OE1 GLN A 586 28.124 -6.820 3.783 1.00 0.00 O ATOM 376 NE2 GLN A 586 26.556 -6.624 5.338 1.00 0.00 N ATOM 0 H GLN A 586 23.671 -5.956 5.650 1.00 0.00 H new ATOM 0 HA GLN A 586 23.335 -6.146 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 586 24.779 -8.024 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 586 24.283 -8.429 2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 586 26.231 -7.597 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 586 25.603 -6.004 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 586 25.563 -6.604 5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 586 27.254 -6.514 6.074 1.00 0.00 H new ATOM 385 N TYR A 587 21.443 -7.732 3.054 1.00 0.00 N ATOM 386 CA TYR A 587 20.142 -8.259 3.217 1.00 0.00 C ATOM 387 C TYR A 587 20.103 -9.711 2.820 1.00 0.00 C ATOM 388 O TYR A 587 20.653 -10.102 1.785 1.00 0.00 O ATOM 389 CB TYR A 587 19.139 -7.373 2.446 1.00 0.00 C ATOM 390 CG TYR A 587 19.101 -5.936 2.978 1.00 0.00 C ATOM 391 CD1 TYR A 587 20.158 -5.047 2.769 1.00 0.00 C ATOM 392 CD2 TYR A 587 18.048 -5.493 3.718 1.00 0.00 C ATOM 393 CE1 TYR A 587 20.136 -3.775 3.292 1.00 0.00 C ATOM 394 CE2 TYR A 587 18.017 -4.238 4.253 1.00 0.00 C ATOM 395 CZ TYR A 587 19.066 -3.374 4.041 1.00 0.00 C ATOM 396 OH TYR A 587 19.067 -2.136 4.626 1.00 0.00 O ATOM 0 H TYR A 587 21.766 -7.701 2.087 1.00 0.00 H new ATOM 0 HA TYR A 587 19.849 -8.238 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 587 19.407 -7.360 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 587 18.143 -7.810 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 587 21.009 -5.365 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 587 17.212 -6.155 3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 587 20.958 -3.098 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 587 17.169 -3.923 4.843 1.00 0.00 H new ATOM 0 HH TYR A 587 18.189 -1.962 5.026 1.00 0.00 H new ATOM 406 N LYS A 588 19.501 -10.504 3.675 1.00 0.00 N ATOM 407 CA LYS A 588 19.406 -11.933 3.479 1.00 0.00 C ATOM 408 C LYS A 588 18.138 -12.229 2.711 1.00 0.00 C ATOM 409 O LYS A 588 17.226 -11.403 2.692 1.00 0.00 O ATOM 410 CB LYS A 588 19.376 -12.659 4.829 1.00 0.00 C ATOM 411 CG LYS A 588 20.520 -12.301 5.766 1.00 0.00 C ATOM 412 CD LYS A 588 20.576 -13.219 6.992 1.00 0.00 C ATOM 413 CE LYS A 588 19.295 -13.206 7.838 1.00 0.00 C ATOM 414 NZ LYS A 588 18.988 -11.873 8.401 1.00 0.00 N ATOM 0 H LYS A 588 19.060 -10.174 4.533 1.00 0.00 H new ATOM 0 HA LYS A 588 20.275 -12.283 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 588 18.432 -12.435 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 588 19.394 -13.734 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 588 21.464 -12.364 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 588 20.409 -11.267 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 588 20.771 -14.239 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 588 21.417 -12.921 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 588 18.457 -13.537 7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 588 19.396 -13.924 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 18.704 -11.974 9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 19.832 -11.268 8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 18.212 -11.439 7.862 1.00 0.00 H new ATOM 428 N VAL A 589 18.055 -13.388 2.112 1.00 0.00 N ATOM 429 CA VAL A 589 16.915 -13.722 1.282 1.00 0.00 C ATOM 430 C VAL A 589 15.653 -13.827 2.133 1.00 0.00 C ATOM 431 O VAL A 589 15.593 -14.598 3.097 1.00 0.00 O ATOM 432 CB VAL A 589 17.147 -15.023 0.472 1.00 0.00 C ATOM 433 CG1 VAL A 589 15.959 -15.311 -0.438 1.00 0.00 C ATOM 434 CG2 VAL A 589 18.426 -14.915 -0.349 1.00 0.00 C ATOM 0 H VAL A 589 18.761 -14.121 2.180 1.00 0.00 H new ATOM 0 HA VAL A 589 16.785 -12.916 0.559 1.00 0.00 H new ATOM 0 HB VAL A 589 17.250 -15.850 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 589 16.143 -16.228 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 589 15.059 -15.428 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 589 15.824 -14.483 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 589 18.576 -15.836 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 589 18.345 -14.076 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 589 19.274 -14.756 0.317 1.00 0.00 H new ATOM 438 N GLY A 590 14.676 -13.028 1.791 1.00 0.00 N ATOM 439 CA GLY A 590 13.449 -12.994 2.531 1.00 0.00 C ATOM 440 C GLY A 590 13.342 -11.783 3.442 1.00 0.00 C ATOM 441 O GLY A 590 12.345 -11.642 4.167 1.00 0.00 O ATOM 0 H GLY A 590 14.711 -12.388 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 590 12.610 -12.994 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 590 13.366 -13.901 3.130 1.00 0.00 H new ATOM 445 N GLU A 591 14.370 -10.914 3.453 1.00 0.00 N ATOM 446 CA GLU A 591 14.262 -9.667 4.205 1.00 0.00 C ATOM 447 C GLU A 591 13.227 -8.797 3.561 1.00 0.00 C ATOM 448 O GLU A 591 13.322 -8.493 2.364 1.00 0.00 O ATOM 449 CB GLU A 591 15.563 -8.878 4.245 1.00 0.00 C ATOM 450 CG GLU A 591 16.697 -9.535 4.964 1.00 0.00 C ATOM 451 CD GLU A 591 16.443 -9.839 6.407 1.00 0.00 C ATOM 452 OE1 GLU A 591 15.715 -9.079 7.081 1.00 0.00 O ATOM 453 OE2 GLU A 591 17.032 -10.798 6.911 1.00 0.00 O ATOM 0 H GLU A 591 15.255 -11.052 2.964 1.00 0.00 H new ATOM 0 HA GLU A 591 13.998 -9.940 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 591 15.875 -8.675 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 591 15.368 -7.914 4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 591 16.942 -10.465 4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 591 17.574 -8.891 4.893 1.00 0.00 H new ATOM 460 N VAL A 592 12.244 -8.436 4.304 1.00 0.00 N ATOM 461 CA VAL A 592 11.238 -7.558 3.794 1.00 0.00 C ATOM 462 C VAL A 592 11.584 -6.154 4.187 1.00 0.00 C ATOM 463 O VAL A 592 11.720 -5.811 5.373 1.00 0.00 O ATOM 464 CB VAL A 592 9.776 -7.950 4.176 1.00 0.00 C ATOM 465 CG1 VAL A 592 9.526 -9.395 3.852 1.00 0.00 C ATOM 466 CG2 VAL A 592 9.427 -7.646 5.610 1.00 0.00 C ATOM 0 H VAL A 592 12.109 -8.732 5.271 1.00 0.00 H new ATOM 0 HA VAL A 592 11.240 -7.648 2.708 1.00 0.00 H new ATOM 0 HB VAL A 592 9.116 -7.326 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 592 8.503 -9.657 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 592 9.672 -9.559 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 592 10.221 -10.019 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 592 8.397 -7.944 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 592 10.096 -8.197 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 592 9.536 -6.577 5.792 1.00 0.00 H new ATOM 470 N LEU A 593 11.804 -5.356 3.219 1.00 0.00 N ATOM 471 CA LEU A 593 12.258 -4.049 3.469 1.00 0.00 C ATOM 472 C LEU A 593 11.153 -3.103 3.346 1.00 0.00 C ATOM 473 O LEU A 593 10.707 -2.801 2.246 1.00 0.00 O ATOM 474 CB LEU A 593 13.413 -3.651 2.561 1.00 0.00 C ATOM 475 CG LEU A 593 14.555 -4.597 2.512 1.00 0.00 C ATOM 476 CD1 LEU A 593 15.726 -3.948 1.818 1.00 0.00 C ATOM 477 CD2 LEU A 593 14.876 -5.088 3.897 1.00 0.00 C ATOM 0 H LEU A 593 11.675 -5.588 2.234 1.00 0.00 H new ATOM 0 HA LEU A 593 12.640 -4.025 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 593 13.027 -3.525 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 593 13.785 -2.679 2.884 1.00 0.00 H new ATOM 0 HG LEU A 593 14.293 -5.478 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 593 16.562 -4.647 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 593 15.441 -3.674 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 593 16.023 -3.053 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 593 15.715 -5.782 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 593 15.139 -4.241 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 593 14.007 -5.597 4.313 1.00 0.00 H new ATOM 489 N LYS A 594 10.646 -2.704 4.468 1.00 0.00 N ATOM 490 CA LYS A 594 9.638 -1.713 4.496 1.00 0.00 C ATOM 491 C LYS A 594 10.308 -0.377 4.340 1.00 0.00 C ATOM 492 O LYS A 594 11.124 -0.002 5.146 1.00 0.00 O ATOM 493 CB LYS A 594 8.818 -1.775 5.793 1.00 0.00 C ATOM 494 CG LYS A 594 8.107 -3.101 5.998 1.00 0.00 C ATOM 495 CD LYS A 594 7.057 -3.082 7.123 1.00 0.00 C ATOM 496 CE LYS A 594 7.624 -2.889 8.537 1.00 0.00 C ATOM 497 NZ LYS A 594 8.053 -1.506 8.838 1.00 0.00 N ATOM 0 H LYS A 594 10.923 -3.059 5.383 1.00 0.00 H new ATOM 0 HA LYS A 594 8.933 -1.880 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 594 9.479 -1.591 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 594 8.080 -0.973 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 594 7.620 -3.388 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 594 8.848 -3.868 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 594 6.345 -2.282 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 594 6.500 -4.019 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 594 6.868 -3.188 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 594 8.475 -3.558 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 594 9.091 -1.449 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 594 7.648 -0.856 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 594 7.723 -1.239 9.787 1.00 0.00 H new ATOM 511 N PHE A 595 10.061 0.260 3.270 1.00 0.00 N ATOM 512 CA PHE A 595 10.579 1.568 3.019 1.00 0.00 C ATOM 513 C PHE A 595 9.554 2.561 3.403 1.00 0.00 C ATOM 514 O PHE A 595 8.396 2.188 3.630 1.00 0.00 O ATOM 515 CB PHE A 595 10.817 1.757 1.552 1.00 0.00 C ATOM 516 CG PHE A 595 11.819 0.835 0.932 1.00 0.00 C ATOM 517 CD1 PHE A 595 13.168 0.975 1.199 1.00 0.00 C ATOM 518 CD2 PHE A 595 11.413 -0.159 0.080 1.00 0.00 C ATOM 519 CE1 PHE A 595 14.092 0.137 0.619 1.00 0.00 C ATOM 520 CE2 PHE A 595 12.322 -0.994 -0.503 1.00 0.00 C ATOM 521 CZ PHE A 595 13.669 -0.853 -0.235 1.00 0.00 C ATOM 0 H PHE A 595 9.481 -0.108 2.516 1.00 0.00 H new ATOM 0 HA PHE A 595 11.505 1.689 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 595 9.868 1.636 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 595 11.143 2.783 1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 595 13.501 1.752 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 595 10.361 -0.283 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 595 15.144 0.256 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 595 11.986 -1.768 -1.177 1.00 0.00 H new ATOM 0 HZ PHE A 595 14.386 -1.517 -0.694 1.00 0.00 H new ATOM 531 N SER A 596 9.941 3.802 3.481 1.00 0.00 N ATOM 532 CA SER A 596 9.019 4.852 3.647 1.00 0.00 C ATOM 533 C SER A 596 9.751 6.127 3.407 1.00 0.00 C ATOM 534 O SER A 596 10.917 6.100 3.103 1.00 0.00 O ATOM 535 CB SER A 596 8.294 4.797 5.014 1.00 0.00 C ATOM 536 OG SER A 596 7.229 5.739 5.121 1.00 0.00 O ATOM 0 H SER A 596 10.915 4.100 3.429 1.00 0.00 H new ATOM 0 HA SER A 596 8.208 4.763 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 596 7.900 3.793 5.169 1.00 0.00 H new ATOM 0 HB3 SER A 596 9.016 4.982 5.809 1.00 0.00 H new ATOM 0 HG SER A 596 6.808 5.658 6.002 1.00 0.00 H new ATOM 542 N CYS A 597 9.084 7.191 3.528 1.00 0.00 N ATOM 543 CA CYS A 597 9.637 8.463 3.190 1.00 0.00 C ATOM 544 C CYS A 597 9.702 9.404 4.382 1.00 0.00 C ATOM 545 O CYS A 597 9.281 9.056 5.502 1.00 0.00 O ATOM 546 CB CYS A 597 8.801 9.095 2.080 1.00 0.00 C ATOM 547 SG CYS A 597 8.748 8.129 0.539 1.00 0.00 S ATOM 0 H CYS A 597 8.123 7.226 3.868 1.00 0.00 H new ATOM 0 HA CYS A 597 10.661 8.300 2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 597 7.783 9.234 2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 597 9.199 10.086 1.860 1.00 0.00 H new ATOM 552 N LYS A 598 10.263 10.585 4.125 1.00 0.00 N ATOM 553 CA LYS A 598 10.337 11.701 5.053 1.00 0.00 C ATOM 554 C LYS A 598 8.973 12.034 5.672 1.00 0.00 C ATOM 555 O LYS A 598 7.941 11.660 5.121 1.00 0.00 O ATOM 556 CB LYS A 598 10.895 12.932 4.326 1.00 0.00 C ATOM 557 CG LYS A 598 12.386 12.904 4.127 1.00 0.00 C ATOM 558 CD LYS A 598 13.110 12.868 5.465 1.00 0.00 C ATOM 559 CE LYS A 598 14.618 12.926 5.308 1.00 0.00 C ATOM 560 NZ LYS A 598 15.083 14.179 4.678 1.00 0.00 N ATOM 0 H LYS A 598 10.695 10.794 3.225 1.00 0.00 H new ATOM 0 HA LYS A 598 11.000 11.412 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 598 10.411 13.017 3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 598 10.631 13.825 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 598 12.662 12.031 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 598 12.699 13.783 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 598 12.779 13.707 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 598 12.838 11.957 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 598 15.084 12.823 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 598 14.948 12.079 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 598 16.115 14.256 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 598 14.833 14.173 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 598 14.628 14.991 5.143 1.00 0.00 H new ATOM 574 N PRO A 599 8.969 12.787 6.798 1.00 0.00 N ATOM 575 CA PRO A 599 7.749 13.133 7.566 1.00 0.00 C ATOM 576 C PRO A 599 6.596 13.651 6.695 1.00 0.00 C ATOM 577 O PRO A 599 5.437 13.230 6.853 1.00 0.00 O ATOM 578 CB PRO A 599 8.226 14.238 8.511 1.00 0.00 C ATOM 579 CG PRO A 599 9.681 13.991 8.693 1.00 0.00 C ATOM 580 CD PRO A 599 10.175 13.381 7.412 1.00 0.00 C ATOM 0 HA PRO A 599 7.341 12.254 8.064 1.00 0.00 H new ATOM 0 HB2 PRO A 599 8.044 15.225 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 599 7.697 14.198 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 599 10.208 14.920 8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 599 9.858 13.322 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 599 10.623 14.132 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 599 10.938 12.626 7.600 1.00 0.00 H new ATOM 588 N GLY A 600 6.915 14.515 5.757 1.00 0.00 N ATOM 589 CA GLY A 600 5.903 15.084 4.909 1.00 0.00 C ATOM 590 C GLY A 600 5.754 14.353 3.600 1.00 0.00 C ATOM 591 O GLY A 600 4.927 14.722 2.769 1.00 0.00 O ATOM 0 H GLY A 600 7.864 14.835 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 600 4.948 15.075 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 600 6.147 16.128 4.711 1.00 0.00 H new ATOM 595 N PHE A 601 6.511 13.307 3.413 1.00 0.00 N ATOM 596 CA PHE A 601 6.471 12.579 2.188 1.00 0.00 C ATOM 597 C PHE A 601 5.761 11.279 2.314 1.00 0.00 C ATOM 598 O PHE A 601 5.878 10.563 3.317 1.00 0.00 O ATOM 599 CB PHE A 601 7.848 12.365 1.615 1.00 0.00 C ATOM 600 CG PHE A 601 8.380 13.542 0.901 1.00 0.00 C ATOM 601 CD1 PHE A 601 8.901 14.616 1.579 1.00 0.00 C ATOM 602 CD2 PHE A 601 8.367 13.555 -0.466 1.00 0.00 C ATOM 603 CE1 PHE A 601 9.403 15.692 0.900 1.00 0.00 C ATOM 604 CE2 PHE A 601 8.861 14.625 -1.163 1.00 0.00 C ATOM 605 CZ PHE A 601 9.383 15.699 -0.481 1.00 0.00 C ATOM 0 H PHE A 601 7.167 12.942 4.104 1.00 0.00 H new ATOM 0 HA PHE A 601 5.901 13.200 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 601 8.531 12.101 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 601 7.820 11.517 0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 601 8.915 14.611 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 601 7.962 12.710 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 601 9.813 16.532 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 601 8.841 14.626 -2.243 1.00 0.00 H new ATOM 0 HZ PHE A 601 9.776 16.546 -1.024 1.00 0.00 H new ATOM 615 N THR A 602 5.039 10.989 1.309 1.00 0.00 N ATOM 616 CA THR A 602 4.320 9.802 1.187 1.00 0.00 C ATOM 617 C THR A 602 5.035 8.846 0.249 1.00 0.00 C ATOM 618 O THR A 602 5.401 9.213 -0.868 1.00 0.00 O ATOM 619 CB THR A 602 2.901 10.101 0.692 1.00 0.00 C ATOM 620 OG1 THR A 602 2.117 10.691 1.736 1.00 0.00 O ATOM 621 CG2 THR A 602 2.219 8.874 0.141 1.00 0.00 C ATOM 0 H THR A 602 4.931 11.611 0.508 1.00 0.00 H new ATOM 0 HA THR A 602 4.250 9.324 2.164 1.00 0.00 H new ATOM 0 HB THR A 602 2.989 10.814 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 602 1.215 10.877 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 602 1.216 9.136 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 602 2.795 8.484 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.152 8.114 0.920 1.00 0.00 H new ATOM 629 N ILE A 603 5.262 7.657 0.723 1.00 0.00 N ATOM 630 CA ILE A 603 5.855 6.629 -0.080 1.00 0.00 C ATOM 631 C ILE A 603 4.839 6.111 -1.109 1.00 0.00 C ATOM 632 O ILE A 603 3.714 5.701 -0.759 1.00 0.00 O ATOM 633 CB ILE A 603 6.425 5.465 0.785 1.00 0.00 C ATOM 634 CG1 ILE A 603 6.981 4.367 -0.106 1.00 0.00 C ATOM 635 CG2 ILE A 603 5.393 4.922 1.763 1.00 0.00 C ATOM 636 CD1 ILE A 603 7.610 3.243 0.653 1.00 0.00 C ATOM 0 H ILE A 603 5.041 7.372 1.677 1.00 0.00 H new ATOM 0 HA ILE A 603 6.701 7.066 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 603 7.242 5.865 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 603 6.176 3.971 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 603 7.721 4.798 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 603 5.834 4.113 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 603 5.073 5.719 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 603 4.532 4.545 1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 603 7.985 2.496 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 603 8.436 3.626 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 603 6.868 2.786 1.308 1.00 0.00 H new ATOM 643 N VAL A 604 5.205 6.178 -2.352 1.00 0.00 N ATOM 644 CA VAL A 604 4.347 5.734 -3.418 1.00 0.00 C ATOM 645 C VAL A 604 4.949 4.513 -4.086 1.00 0.00 C ATOM 646 O VAL A 604 6.129 4.522 -4.476 1.00 0.00 O ATOM 647 CB VAL A 604 4.089 6.862 -4.462 1.00 0.00 C ATOM 648 CG1 VAL A 604 3.232 6.364 -5.623 1.00 0.00 C ATOM 649 CG2 VAL A 604 3.418 8.051 -3.793 1.00 0.00 C ATOM 0 H VAL A 604 6.107 6.542 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 604 3.381 5.469 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 604 5.054 7.171 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.072 7.176 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 604 3.741 5.540 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.270 6.019 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 604 3.243 8.833 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 604 2.467 7.738 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 604 4.063 8.436 -3.003 1.00 0.00 H new ATOM 653 N GLY A 605 4.165 3.464 -4.171 1.00 0.00 N ATOM 654 CA GLY A 605 4.602 2.251 -4.794 1.00 0.00 C ATOM 655 C GLY A 605 4.606 1.106 -3.809 1.00 0.00 C ATOM 656 O GLY A 605 3.725 1.037 -2.933 1.00 0.00 O ATOM 0 H GLY A 605 3.212 3.434 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 605 3.947 2.012 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 605 5.604 2.388 -5.202 1.00 0.00 H new ATOM 660 N PRO A 606 5.551 0.180 -3.936 1.00 0.00 N ATOM 661 CA PRO A 606 5.701 -0.924 -3.003 1.00 0.00 C ATOM 662 C PRO A 606 6.464 -0.482 -1.755 1.00 0.00 C ATOM 663 O PRO A 606 7.568 0.045 -1.847 1.00 0.00 O ATOM 664 CB PRO A 606 6.514 -1.944 -3.794 1.00 0.00 C ATOM 665 CG PRO A 606 7.311 -1.141 -4.765 1.00 0.00 C ATOM 666 CD PRO A 606 6.547 0.124 -5.026 1.00 0.00 C ATOM 0 HA PRO A 606 4.747 -1.315 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 606 7.162 -2.525 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 606 5.864 -2.652 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 606 8.298 -0.918 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 606 7.463 -1.697 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 606 7.202 0.995 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 606 6.066 0.104 -6.004 1.00 0.00 H new ATOM 674 N ASN A 607 5.877 -0.669 -0.601 1.00 0.00 N ATOM 675 CA ASN A 607 6.543 -0.254 0.623 1.00 0.00 C ATOM 676 C ASN A 607 7.469 -1.336 1.090 1.00 0.00 C ATOM 677 O ASN A 607 8.575 -1.069 1.484 1.00 0.00 O ATOM 678 CB ASN A 607 5.588 0.067 1.793 1.00 0.00 C ATOM 679 CG ASN A 607 4.508 1.105 1.541 1.00 0.00 C ATOM 680 OD1 ASN A 607 3.966 1.247 0.441 1.00 0.00 O ATOM 681 ND2 ASN A 607 4.186 1.838 2.572 1.00 0.00 N ATOM 0 H ASN A 607 4.959 -1.096 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 607 7.070 0.664 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 607 5.102 -0.860 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 607 6.189 0.403 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 607 3.466 2.555 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 607 4.654 1.694 3.467 1.00 0.00 H new ATOM 688 N SER A 608 7.015 -2.553 1.031 1.00 0.00 N ATOM 689 CA SER A 608 7.762 -3.656 1.555 1.00 0.00 C ATOM 690 C SER A 608 8.208 -4.612 0.461 1.00 0.00 C ATOM 691 O SER A 608 7.428 -5.451 -0.015 1.00 0.00 O ATOM 692 CB SER A 608 6.932 -4.348 2.641 1.00 0.00 C ATOM 693 OG SER A 608 5.603 -4.630 2.186 1.00 0.00 O ATOM 0 H SER A 608 6.118 -2.808 0.619 1.00 0.00 H new ATOM 0 HA SER A 608 8.683 -3.285 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 608 7.421 -5.276 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 608 6.888 -3.714 3.526 1.00 0.00 H new ATOM 0 HG SER A 608 5.638 -4.982 1.272 1.00 0.00 H new ATOM 699 N VAL A 609 9.439 -4.455 0.031 1.00 0.00 N ATOM 700 CA VAL A 609 9.999 -5.320 -0.985 1.00 0.00 C ATOM 701 C VAL A 609 10.712 -6.466 -0.292 1.00 0.00 C ATOM 702 O VAL A 609 10.965 -6.401 0.899 1.00 0.00 O ATOM 703 CB VAL A 609 10.993 -4.576 -1.929 1.00 0.00 C ATOM 704 CG1 VAL A 609 10.361 -3.317 -2.507 1.00 0.00 C ATOM 705 CG2 VAL A 609 12.323 -4.267 -1.241 1.00 0.00 C ATOM 0 H VAL A 609 10.075 -3.733 0.370 1.00 0.00 H new ATOM 0 HA VAL A 609 9.184 -5.682 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 609 11.216 -5.251 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 609 11.076 -2.818 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 609 9.472 -3.585 -3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 609 10.081 -2.645 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 609 12.982 -3.749 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 609 12.145 -3.634 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 609 12.792 -5.198 -0.922 1.00 0.00 H new ATOM 709 N GLN A 610 10.991 -7.514 -0.997 1.00 0.00 N ATOM 710 CA GLN A 610 11.692 -8.642 -0.419 1.00 0.00 C ATOM 711 C GLN A 610 13.042 -8.779 -1.034 1.00 0.00 C ATOM 712 O GLN A 610 13.281 -8.342 -2.163 1.00 0.00 O ATOM 713 CB GLN A 610 10.965 -10.000 -0.611 1.00 0.00 C ATOM 714 CG GLN A 610 10.025 -10.466 0.496 1.00 0.00 C ATOM 715 CD GLN A 610 8.641 -9.814 0.565 1.00 0.00 C ATOM 716 OE1 GLN A 610 7.692 -10.447 1.000 1.00 0.00 O ATOM 717 NE2 GLN A 610 8.506 -8.593 0.167 1.00 0.00 N ATOM 0 H GLN A 610 10.747 -7.624 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 610 11.745 -8.427 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 610 10.392 -9.945 -1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 610 11.724 -10.769 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 610 9.886 -11.542 0.389 1.00 0.00 H new ATOM 0 HG3 GLN A 610 10.523 -10.302 1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 610 9.312 -8.082 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 610 7.593 -8.140 0.213 1.00 0.00 H new ATOM 726 N CYS A 611 13.915 -9.357 -0.296 1.00 0.00 N ATOM 727 CA CYS A 611 15.187 -9.739 -0.828 1.00 0.00 C ATOM 728 C CYS A 611 15.053 -11.088 -1.477 1.00 0.00 C ATOM 729 O CYS A 611 14.826 -12.089 -0.800 1.00 0.00 O ATOM 730 CB CYS A 611 16.268 -9.772 0.250 1.00 0.00 C ATOM 731 SG CYS A 611 17.815 -10.638 -0.244 1.00 0.00 S ATOM 0 H CYS A 611 13.778 -9.582 0.689 1.00 0.00 H new ATOM 0 HA CYS A 611 15.495 -8.996 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 611 16.514 -8.748 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 611 15.863 -10.257 1.138 1.00 0.00 H new ATOM 736 N TYR A 612 15.111 -11.101 -2.769 1.00 0.00 N ATOM 737 CA TYR A 612 15.096 -12.315 -3.520 1.00 0.00 C ATOM 738 C TYR A 612 16.532 -12.725 -3.719 1.00 0.00 C ATOM 739 O TYR A 612 17.425 -11.915 -3.524 1.00 0.00 O ATOM 740 CB TYR A 612 14.420 -12.101 -4.875 1.00 0.00 C ATOM 741 CG TYR A 612 12.921 -11.906 -4.806 1.00 0.00 C ATOM 742 CD1 TYR A 612 12.364 -10.702 -4.412 1.00 0.00 C ATOM 743 CD2 TYR A 612 12.063 -12.943 -5.132 1.00 0.00 C ATOM 744 CE1 TYR A 612 10.998 -10.538 -4.349 1.00 0.00 C ATOM 745 CE2 TYR A 612 10.695 -12.784 -5.072 1.00 0.00 C ATOM 746 CZ TYR A 612 10.166 -11.576 -4.679 1.00 0.00 C ATOM 747 OH TYR A 612 8.786 -11.405 -4.610 1.00 0.00 O ATOM 0 H TYR A 612 15.171 -10.258 -3.340 1.00 0.00 H new ATOM 0 HA TYR A 612 14.536 -13.086 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 612 14.865 -11.229 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 612 14.633 -12.959 -5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 612 13.011 -9.878 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 612 12.473 -13.894 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 612 10.582 -9.591 -4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 612 10.042 -13.604 -5.332 1.00 0.00 H new ATOM 0 HH TYR A 612 8.340 -12.236 -4.877 1.00 0.00 H new ATOM 757 N HIS A 613 16.771 -13.935 -4.148 1.00 0.00 N ATOM 758 CA HIS A 613 18.147 -14.420 -4.316 1.00 0.00 C ATOM 759 C HIS A 613 18.923 -13.686 -5.428 1.00 0.00 C ATOM 760 O HIS A 613 20.122 -13.894 -5.589 1.00 0.00 O ATOM 761 CB HIS A 613 18.224 -15.956 -4.485 1.00 0.00 C ATOM 762 CG HIS A 613 17.729 -16.545 -5.793 1.00 0.00 C ATOM 763 ND1 HIS A 613 18.355 -17.607 -6.403 1.00 0.00 N ATOM 764 CD2 HIS A 613 16.650 -16.265 -6.569 1.00 0.00 C ATOM 765 CE1 HIS A 613 17.695 -17.953 -7.482 1.00 0.00 C ATOM 766 NE2 HIS A 613 16.655 -17.159 -7.611 1.00 0.00 N ATOM 0 H HIS A 613 16.048 -14.612 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 613 18.649 -14.176 -3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 613 19.263 -16.257 -4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 613 17.655 -16.412 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 613 15.923 -15.484 -6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 613 17.961 -18.756 -8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 613 15.966 -17.200 -8.362 1.00 0.00 H new ATOM 775 N PHE A 614 18.234 -12.847 -6.179 1.00 0.00 N ATOM 776 CA PHE A 614 18.864 -12.048 -7.206 1.00 0.00 C ATOM 777 C PHE A 614 18.979 -10.587 -6.777 1.00 0.00 C ATOM 778 O PHE A 614 19.689 -9.792 -7.406 1.00 0.00 O ATOM 779 CB PHE A 614 18.138 -12.173 -8.560 1.00 0.00 C ATOM 780 CG PHE A 614 16.673 -11.867 -8.521 1.00 0.00 C ATOM 781 CD1 PHE A 614 16.221 -10.566 -8.574 1.00 0.00 C ATOM 782 CD2 PHE A 614 15.753 -12.887 -8.438 1.00 0.00 C ATOM 783 CE1 PHE A 614 14.881 -10.289 -8.541 1.00 0.00 C ATOM 784 CE2 PHE A 614 14.410 -12.619 -8.404 1.00 0.00 C ATOM 785 CZ PHE A 614 13.966 -11.317 -8.456 1.00 0.00 C ATOM 0 H PHE A 614 17.228 -12.703 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 614 19.872 -12.440 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 614 18.615 -11.503 -9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 614 18.272 -13.187 -8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 614 16.932 -9.756 -8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 614 16.094 -13.911 -8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 614 14.540 -9.265 -8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 614 13.699 -13.429 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 614 12.908 -11.102 -8.430 1.00 0.00 H new ATOM 795 N GLY A 615 18.323 -10.240 -5.692 1.00 0.00 N ATOM 796 CA GLY A 615 18.315 -8.869 -5.261 1.00 0.00 C ATOM 797 C GLY A 615 16.971 -8.439 -4.725 1.00 0.00 C ATOM 798 O GLY A 615 16.059 -9.261 -4.583 1.00 0.00 O ATOM 0 H GLY A 615 17.796 -10.883 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 615 19.072 -8.730 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 615 18.591 -8.227 -6.097 1.00 0.00 H new ATOM 802 N LEU A 616 16.839 -7.162 -4.454 1.00 0.00 N ATOM 803 CA LEU A 616 15.630 -6.616 -3.869 1.00 0.00 C ATOM 804 C LEU A 616 14.567 -6.443 -4.937 1.00 0.00 C ATOM 805 O LEU A 616 14.819 -5.848 -5.990 1.00 0.00 O ATOM 806 CB LEU A 616 15.885 -5.256 -3.137 1.00 0.00 C ATOM 807 CG LEU A 616 16.823 -5.257 -1.896 1.00 0.00 C ATOM 808 CD1 LEU A 616 16.424 -6.316 -0.897 1.00 0.00 C ATOM 809 CD2 LEU A 616 18.285 -5.377 -2.286 1.00 0.00 C ATOM 0 H LEU A 616 17.566 -6.469 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 616 15.283 -7.327 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 616 16.296 -4.557 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 616 14.919 -4.859 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 616 16.704 -4.289 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 616 17.102 -6.286 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 616 15.405 -6.130 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 616 16.476 -7.298 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 616 18.903 -5.374 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 616 18.441 -6.308 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 616 18.563 -4.535 -2.920 1.00 0.00 H new ATOM 821 N SER A 617 13.408 -6.976 -4.680 1.00 0.00 N ATOM 822 CA SER A 617 12.307 -6.886 -5.586 1.00 0.00 C ATOM 823 C SER A 617 11.000 -6.876 -4.768 1.00 0.00 C ATOM 824 O SER A 617 10.934 -7.491 -3.700 1.00 0.00 O ATOM 825 CB SER A 617 12.366 -8.056 -6.597 1.00 0.00 C ATOM 826 OG SER A 617 11.297 -8.031 -7.529 1.00 0.00 O ATOM 0 H SER A 617 13.201 -7.491 -3.824 1.00 0.00 H new ATOM 0 HA SER A 617 12.351 -5.964 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 617 13.313 -8.017 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 617 12.347 -9.001 -6.054 1.00 0.00 H new ATOM 0 HG SER A 617 11.382 -8.789 -8.145 1.00 0.00 H new ATOM 832 N PRO A 618 9.950 -6.174 -5.223 1.00 0.00 N ATOM 833 CA PRO A 618 9.954 -5.435 -6.491 1.00 0.00 C ATOM 834 C PRO A 618 10.826 -4.173 -6.476 1.00 0.00 C ATOM 835 O PRO A 618 11.536 -3.893 -5.507 1.00 0.00 O ATOM 836 CB PRO A 618 8.491 -5.063 -6.692 1.00 0.00 C ATOM 837 CG PRO A 618 7.921 -5.020 -5.322 1.00 0.00 C ATOM 838 CD PRO A 618 8.657 -6.056 -4.529 1.00 0.00 C ATOM 0 HA PRO A 618 10.380 -6.042 -7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 618 8.393 -4.100 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 618 7.977 -5.798 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 618 8.045 -4.031 -4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 618 6.852 -5.230 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 618 8.786 -5.749 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 618 8.122 -7.005 -4.516 1.00 0.00 H new ATOM 846 N ASP A 619 10.777 -3.447 -7.571 1.00 0.00 N ATOM 847 CA ASP A 619 11.533 -2.216 -7.731 1.00 0.00 C ATOM 848 C ASP A 619 11.087 -1.166 -6.723 1.00 0.00 C ATOM 849 O ASP A 619 9.908 -1.043 -6.415 1.00 0.00 O ATOM 850 CB ASP A 619 11.440 -1.682 -9.168 1.00 0.00 C ATOM 851 CG ASP A 619 10.042 -1.284 -9.589 1.00 0.00 C ATOM 852 OD1 ASP A 619 9.191 -2.186 -9.857 1.00 0.00 O ATOM 853 OD2 ASP A 619 9.773 -0.069 -9.720 1.00 0.00 O ATOM 0 H ASP A 619 10.210 -3.692 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 619 12.581 -2.444 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 619 12.098 -0.818 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 619 11.811 -2.445 -9.853 1.00 0.00 H new ATOM 858 N LEU A 620 12.051 -0.431 -6.245 1.00 0.00 N ATOM 859 CA LEU A 620 11.914 0.543 -5.166 1.00 0.00 C ATOM 860 C LEU A 620 10.888 1.646 -5.408 1.00 0.00 C ATOM 861 O LEU A 620 10.688 2.117 -6.539 1.00 0.00 O ATOM 862 CB LEU A 620 13.282 1.135 -4.800 1.00 0.00 C ATOM 863 CG LEU A 620 14.233 0.230 -3.990 1.00 0.00 C ATOM 864 CD1 LEU A 620 14.658 -1.024 -4.750 1.00 0.00 C ATOM 865 CD2 LEU A 620 15.435 1.012 -3.564 1.00 0.00 C ATOM 0 H LEU A 620 13.004 -0.487 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 620 11.514 -0.021 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 620 13.787 1.421 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 620 13.116 2.050 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 620 13.681 -0.112 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 620 15.326 -1.618 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 620 13.776 -1.613 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 620 15.176 -0.737 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 620 16.104 0.369 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 620 15.957 1.386 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 620 15.122 1.852 -2.944 1.00 0.00 H new ATOM 877 N PRO A 621 10.205 2.036 -4.322 1.00 0.00 N ATOM 878 CA PRO A 621 9.197 3.110 -4.305 1.00 0.00 C ATOM 879 C PRO A 621 9.792 4.507 -4.539 1.00 0.00 C ATOM 880 O PRO A 621 11.012 4.667 -4.730 1.00 0.00 O ATOM 881 CB PRO A 621 8.667 3.048 -2.868 1.00 0.00 C ATOM 882 CG PRO A 621 9.751 2.413 -2.091 1.00 0.00 C ATOM 883 CD PRO A 621 10.338 1.407 -2.996 1.00 0.00 C ATOM 0 HA PRO A 621 8.458 2.968 -5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 621 8.439 4.044 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 621 7.747 2.467 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 621 10.496 3.147 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 621 9.365 1.949 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 621 11.380 1.201 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 621 9.805 0.458 -2.944 1.00 0.00 H new ATOM 891 N ILE A 622 8.929 5.494 -4.501 1.00 0.00 N ATOM 892 CA ILE A 622 9.297 6.894 -4.634 1.00 0.00 C ATOM 893 C ILE A 622 8.634 7.668 -3.498 1.00 0.00 C ATOM 894 O ILE A 622 7.898 7.076 -2.694 1.00 0.00 O ATOM 895 CB ILE A 622 8.817 7.511 -5.975 1.00 0.00 C ATOM 896 CG1 ILE A 622 7.293 7.406 -6.078 1.00 0.00 C ATOM 897 CG2 ILE A 622 9.500 6.837 -7.165 1.00 0.00 C ATOM 898 CD1 ILE A 622 6.687 8.239 -7.180 1.00 0.00 C ATOM 0 H ILE A 622 7.927 5.349 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 622 10.385 6.958 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 622 9.095 8.565 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 622 7.022 6.362 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 622 6.854 7.708 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 622 9.145 7.288 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 622 10.579 6.968 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 622 9.263 5.773 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 622 5.605 8.107 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 622 6.924 9.290 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 622 7.094 7.923 -8.141 1.00 0.00 H new ATOM 905 N CYS A 623 8.830 8.960 -3.460 1.00 0.00 N ATOM 906 CA CYS A 623 8.285 9.783 -2.411 1.00 0.00 C ATOM 907 C CYS A 623 7.532 10.974 -2.965 1.00 0.00 C ATOM 908 O CYS A 623 8.093 11.813 -3.659 1.00 0.00 O ATOM 909 CB CYS A 623 9.397 10.260 -1.507 1.00 0.00 C ATOM 910 SG CYS A 623 10.224 8.932 -0.600 1.00 0.00 S ATOM 0 H CYS A 623 9.372 9.472 -4.156 1.00 0.00 H new ATOM 0 HA CYS A 623 7.579 9.176 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 623 10.136 10.793 -2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 623 8.990 10.976 -0.793 1.00 0.00 H new ATOM 915 N LYS A 624 6.269 11.044 -2.650 1.00 0.00 N ATOM 916 CA LYS A 624 5.430 12.139 -3.048 1.00 0.00 C ATOM 917 C LYS A 624 4.992 12.909 -1.840 1.00 0.00 C ATOM 918 O LYS A 624 4.453 12.348 -0.907 1.00 0.00 O ATOM 919 CB LYS A 624 4.236 11.664 -3.869 1.00 0.00 C ATOM 920 CG LYS A 624 4.585 11.333 -5.318 1.00 0.00 C ATOM 921 CD LYS A 624 3.346 11.021 -6.146 1.00 0.00 C ATOM 922 CE LYS A 624 2.416 12.225 -6.235 1.00 0.00 C ATOM 923 NZ LYS A 624 1.164 11.904 -6.944 1.00 0.00 N ATOM 0 H LYS A 624 5.787 10.332 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 624 6.010 12.800 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 624 3.809 10.780 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 624 3.467 12.436 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 624 5.117 12.173 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 624 5.262 10.479 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 624 3.645 10.716 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 624 2.813 10.180 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 624 2.183 12.579 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 624 2.926 13.040 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 624 0.613 12.774 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 624 1.387 11.480 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 624 0.608 11.231 -6.379 1.00 0.00 H new ATOM 937 N GLU A 625 5.228 14.189 -1.852 1.00 0.00 N ATOM 938 CA GLU A 625 4.931 15.020 -0.705 1.00 0.00 C ATOM 939 C GLU A 625 3.454 15.377 -0.721 1.00 0.00 C ATOM 940 O GLU A 625 2.845 15.633 0.319 1.00 0.00 O ATOM 941 CB GLU A 625 5.781 16.286 -0.744 1.00 0.00 C ATOM 942 CG GLU A 625 5.918 16.988 0.591 1.00 0.00 C ATOM 943 CD GLU A 625 6.507 18.361 0.455 1.00 0.00 C ATOM 944 OE1 GLU A 625 5.761 19.302 0.173 1.00 0.00 O ATOM 945 OE2 GLU A 625 7.739 18.531 0.603 1.00 0.00 O ATOM 0 H GLU A 625 5.628 14.689 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 625 5.163 14.477 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 625 6.775 16.030 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 625 5.345 16.980 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 625 4.938 17.061 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 625 6.546 16.389 1.251 1.00 0.00 H new ATOM 952 N GLN A 626 2.892 15.394 -1.907 1.00 0.00 N ATOM 953 CA GLN A 626 1.494 15.673 -2.085 1.00 0.00 C ATOM 954 C GLN A 626 0.829 14.549 -2.827 1.00 0.00 C ATOM 955 O GLN A 626 1.142 14.283 -3.994 1.00 0.00 O ATOM 956 CB GLN A 626 1.264 16.975 -2.828 1.00 0.00 C ATOM 957 CG GLN A 626 1.717 18.218 -2.087 1.00 0.00 C ATOM 958 CD GLN A 626 1.380 19.487 -2.837 1.00 0.00 C ATOM 959 OE1 GLN A 626 1.144 20.536 -2.231 1.00 0.00 O ATOM 960 NE2 GLN A 626 1.362 19.417 -4.142 1.00 0.00 N ATOM 0 H GLN A 626 3.396 15.214 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 626 1.056 15.770 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 626 1.786 16.929 -3.784 1.00 0.00 H new ATOM 0 HB3 GLN A 626 0.201 17.068 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 626 1.247 18.244 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 626 2.794 18.169 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 626 1.562 18.532 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 626 1.148 20.247 -4.694 1.00 0.00 H new ATOM 969 N VAL A 627 -0.039 13.875 -2.152 1.00 0.00 N ATOM 970 CA VAL A 627 -0.830 12.814 -2.738 1.00 0.00 C ATOM 971 C VAL A 627 -2.250 13.265 -2.938 1.00 0.00 C ATOM 972 O VAL A 627 -2.613 14.391 -2.571 1.00 0.00 O ATOM 973 CB VAL A 627 -0.818 11.522 -1.894 1.00 0.00 C ATOM 974 CG1 VAL A 627 0.467 10.779 -2.103 1.00 0.00 C ATOM 975 CG2 VAL A 627 -1.004 11.848 -0.414 1.00 0.00 C ATOM 0 H VAL A 627 -0.232 14.037 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 627 -0.372 12.584 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 627 -1.646 10.890 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 627 0.463 9.870 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 627 0.569 10.518 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 627 1.304 11.409 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 627 -0.993 10.925 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 627 -0.194 12.496 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 627 -1.958 12.355 -0.270 1.00 0.00 H new ATOM 979 N GLN A 628 -3.045 12.409 -3.499 1.00 0.00 N ATOM 980 CA GLN A 628 -4.411 12.717 -3.749 1.00 0.00 C ATOM 981 C GLN A 628 -5.230 12.136 -2.630 1.00 0.00 C ATOM 982 O GLN A 628 -4.718 11.351 -1.812 1.00 0.00 O ATOM 983 CB GLN A 628 -4.869 12.152 -5.098 1.00 0.00 C ATOM 984 CG GLN A 628 -4.056 12.640 -6.294 1.00 0.00 C ATOM 985 CD GLN A 628 -4.583 12.107 -7.613 1.00 0.00 C ATOM 986 OE1 GLN A 628 -5.772 11.865 -7.762 1.00 0.00 O ATOM 987 NE2 GLN A 628 -3.711 11.900 -8.562 1.00 0.00 N ATOM 0 H GLN A 628 -2.761 11.475 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 628 -4.541 13.798 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 628 -4.818 11.064 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 628 -5.915 12.416 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 628 -4.067 13.730 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 628 -3.017 12.334 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 628 -2.726 12.113 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 628 -4.015 11.525 -9.461 1.00 0.00 H new ATOM 996 N SER A 629 -6.453 12.530 -2.546 1.00 0.00 N ATOM 997 CA SER A 629 -7.311 12.039 -1.523 1.00 0.00 C ATOM 998 C SER A 629 -8.320 11.021 -2.074 1.00 0.00 C ATOM 999 O SER A 629 -9.111 10.440 -1.309 1.00 0.00 O ATOM 1000 CB SER A 629 -8.001 13.209 -0.843 1.00 0.00 C ATOM 1001 OG SER A 629 -7.043 14.109 -0.269 1.00 0.00 O ATOM 0 H SER A 629 -6.886 13.199 -3.182 1.00 0.00 H new ATOM 0 HA SER A 629 -6.714 11.507 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 629 -8.618 13.742 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 629 -8.669 12.839 -0.065 1.00 0.00 H new ATOM 0 HG SER A 629 -7.511 14.855 0.161 1.00 0.00 H new ATOM 1007 N CYS A 630 -8.305 10.840 -3.402 1.00 0.00 N ATOM 1008 CA CYS A 630 -9.159 9.868 -4.140 1.00 0.00 C ATOM 1009 C CYS A 630 -10.657 10.204 -4.144 1.00 0.00 C ATOM 1010 O CYS A 630 -11.353 9.916 -5.109 1.00 0.00 O ATOM 1011 CB CYS A 630 -8.910 8.420 -3.686 1.00 0.00 C ATOM 1012 SG CYS A 630 -7.259 7.778 -4.126 1.00 0.00 S ATOM 0 H CYS A 630 -7.689 11.372 -4.017 1.00 0.00 H new ATOM 0 HA CYS A 630 -8.842 9.961 -5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 630 -9.035 8.363 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 630 -9.669 7.775 -4.129 1.00 0.00 H new ATOM 1017 N GLY A 631 -11.134 10.822 -3.095 1.00 0.00 N ATOM 1018 CA GLY A 631 -12.525 11.137 -2.994 1.00 0.00 C ATOM 1019 C GLY A 631 -13.274 9.929 -2.506 1.00 0.00 C ATOM 1020 O GLY A 631 -12.784 9.244 -1.602 1.00 0.00 O ATOM 0 H GLY A 631 -10.571 11.116 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.672 11.972 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -12.910 11.450 -3.964 1.00 0.00 H new ATOM 1024 N PRO A 632 -14.447 9.646 -3.056 1.00 0.00 N ATOM 1025 CA PRO A 632 -15.196 8.452 -2.719 1.00 0.00 C ATOM 1026 C PRO A 632 -14.591 7.211 -3.382 1.00 0.00 C ATOM 1027 O PRO A 632 -13.899 7.300 -4.415 1.00 0.00 O ATOM 1028 CB PRO A 632 -16.595 8.721 -3.279 1.00 0.00 C ATOM 1029 CG PRO A 632 -16.394 9.705 -4.375 1.00 0.00 C ATOM 1030 CD PRO A 632 -15.150 10.483 -4.043 1.00 0.00 C ATOM 0 HA PRO A 632 -15.194 8.255 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -17.053 7.805 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -17.257 9.118 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -16.288 9.198 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -17.254 10.370 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -14.538 10.651 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -15.392 11.463 -3.632 1.00 0.00 H new ATOM 1038 N PRO A 633 -14.811 6.057 -2.789 1.00 0.00 N ATOM 1039 CA PRO A 633 -14.322 4.804 -3.302 1.00 0.00 C ATOM 1040 C PRO A 633 -15.349 4.132 -4.215 1.00 0.00 C ATOM 1041 O PRO A 633 -16.487 4.635 -4.381 1.00 0.00 O ATOM 1042 CB PRO A 633 -14.159 3.996 -2.015 1.00 0.00 C ATOM 1043 CG PRO A 633 -15.269 4.462 -1.144 1.00 0.00 C ATOM 1044 CD PRO A 633 -15.564 5.873 -1.537 1.00 0.00 C ATOM 0 HA PRO A 633 -13.418 4.902 -3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 633 -14.227 2.925 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 633 -13.188 4.176 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 633 -16.150 3.833 -1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 633 -14.986 4.405 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 633 -16.632 6.031 -1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 633 -15.242 6.577 -0.770 1.00 0.00 H new ATOM 1052 N PRO A 634 -14.971 3.020 -4.852 1.00 0.00 N ATOM 1053 CA PRO A 634 -15.903 2.214 -5.604 1.00 0.00 C ATOM 1054 C PRO A 634 -16.761 1.377 -4.649 1.00 0.00 C ATOM 1055 O PRO A 634 -16.702 1.542 -3.413 1.00 0.00 O ATOM 1056 CB PRO A 634 -14.986 1.302 -6.427 1.00 0.00 C ATOM 1057 CG PRO A 634 -13.762 1.162 -5.604 1.00 0.00 C ATOM 1058 CD PRO A 634 -13.587 2.478 -4.918 1.00 0.00 C ATOM 0 HA PRO A 634 -16.590 2.800 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 634 -15.452 0.334 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 634 -14.762 1.739 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 634 -13.866 0.354 -4.880 1.00 0.00 H new ATOM 0 HG3 PRO A 634 -12.897 0.925 -6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 634 -13.155 2.359 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 634 -12.924 3.138 -5.477 1.00 0.00 H new ATOM 1066 N GLU A 635 -17.552 0.517 -5.186 1.00 0.00 N ATOM 1067 CA GLU A 635 -18.320 -0.368 -4.382 1.00 0.00 C ATOM 1068 C GLU A 635 -17.956 -1.798 -4.729 1.00 0.00 C ATOM 1069 O GLU A 635 -17.414 -2.066 -5.811 1.00 0.00 O ATOM 1070 CB GLU A 635 -19.799 -0.112 -4.580 1.00 0.00 C ATOM 1071 CG GLU A 635 -20.316 -0.493 -5.938 1.00 0.00 C ATOM 1072 CD GLU A 635 -21.719 -0.052 -6.141 1.00 0.00 C ATOM 1073 OE1 GLU A 635 -21.935 1.098 -6.579 1.00 0.00 O ATOM 1074 OE2 GLU A 635 -22.640 -0.835 -5.879 1.00 0.00 O ATOM 0 H GLU A 635 -17.685 0.406 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 635 -18.097 -0.196 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 635 -20.356 -0.665 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 635 -19.998 0.946 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 635 -19.682 -0.049 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 635 -20.254 -1.574 -6.059 1.00 0.00 H new ATOM 1081 N LEU A 636 -18.252 -2.695 -3.831 1.00 0.00 N ATOM 1082 CA LEU A 636 -17.935 -4.083 -4.000 1.00 0.00 C ATOM 1083 C LEU A 636 -18.838 -4.677 -5.092 1.00 0.00 C ATOM 1084 O LEU A 636 -19.978 -4.239 -5.245 1.00 0.00 O ATOM 1085 CB LEU A 636 -18.136 -4.800 -2.655 1.00 0.00 C ATOM 1086 CG LEU A 636 -17.587 -6.208 -2.530 1.00 0.00 C ATOM 1087 CD1 LEU A 636 -16.167 -6.226 -3.002 1.00 0.00 C ATOM 1088 CD2 LEU A 636 -17.621 -6.632 -1.085 1.00 0.00 C ATOM 0 H LEU A 636 -18.725 -2.480 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 636 -16.898 -4.210 -4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 636 -17.680 -4.189 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 636 -19.206 -4.835 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 636 -18.191 -6.888 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 636 -15.767 -7.236 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 636 -16.126 -5.909 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 636 -15.572 -5.546 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 636 -17.227 -7.644 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 636 -17.012 -5.950 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 636 -18.649 -6.609 -0.723 1.00 0.00 H new ATOM 1100 N LEU A 637 -18.292 -5.613 -5.875 1.00 0.00 N ATOM 1101 CA LEU A 637 -19.032 -6.275 -6.965 1.00 0.00 C ATOM 1102 C LEU A 637 -20.399 -6.796 -6.540 1.00 0.00 C ATOM 1103 O LEU A 637 -21.435 -6.250 -6.931 1.00 0.00 O ATOM 1104 CB LEU A 637 -18.221 -7.401 -7.696 1.00 0.00 C ATOM 1105 CG LEU A 637 -17.562 -8.549 -6.889 1.00 0.00 C ATOM 1106 CD1 LEU A 637 -17.102 -9.644 -7.837 1.00 0.00 C ATOM 1107 CD2 LEU A 637 -16.368 -8.085 -6.065 1.00 0.00 C ATOM 0 H LEU A 637 -17.329 -5.935 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 637 -19.191 -5.475 -7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 637 -18.892 -7.862 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 637 -17.429 -6.911 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 637 -18.319 -8.920 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 637 -16.639 -10.449 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 637 -17.959 -10.034 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 637 -16.377 -9.235 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 637 -15.949 -8.932 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 637 -15.610 -7.667 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 637 -16.690 -7.323 -5.355 1.00 0.00 H new ATOM 1119 N ASN A 638 -20.409 -7.838 -5.762 1.00 0.00 N ATOM 1120 CA ASN A 638 -21.655 -8.405 -5.310 1.00 0.00 C ATOM 1121 C ASN A 638 -22.000 -7.813 -3.961 1.00 0.00 C ATOM 1122 O ASN A 638 -23.169 -7.619 -3.622 1.00 0.00 O ATOM 1123 CB ASN A 638 -21.548 -9.933 -5.186 1.00 0.00 C ATOM 1124 CG ASN A 638 -20.925 -10.611 -6.398 1.00 0.00 C ATOM 1125 OD1 ASN A 638 -19.729 -10.869 -6.414 1.00 0.00 O ATOM 1126 ND2 ASN A 638 -21.691 -10.857 -7.419 1.00 0.00 N ATOM 0 H ASN A 638 -19.573 -8.315 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 638 -22.434 -8.174 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -20.956 -10.175 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 638 -22.544 -10.345 -5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -21.298 -11.276 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -22.685 -10.631 -7.377 1.00 0.00 H new ATOM 1133 N GLY A 639 -20.963 -7.517 -3.200 1.00 0.00 N ATOM 1134 CA GLY A 639 -21.118 -6.972 -1.878 1.00 0.00 C ATOM 1135 C GLY A 639 -21.276 -5.482 -1.887 1.00 0.00 C ATOM 1136 O GLY A 639 -21.662 -4.896 -2.891 1.00 0.00 O ATOM 0 H GLY A 639 -19.993 -7.650 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 639 -21.988 -7.424 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 639 -20.250 -7.239 -1.274 1.00 0.00 H new ATOM 1140 N ASN A 640 -20.911 -4.859 -0.809 1.00 0.00 N ATOM 1141 CA ASN A 640 -21.073 -3.442 -0.687 1.00 0.00 C ATOM 1142 C ASN A 640 -20.027 -2.893 0.249 1.00 0.00 C ATOM 1143 O ASN A 640 -19.145 -3.614 0.691 1.00 0.00 O ATOM 1144 CB ASN A 640 -22.429 -3.157 -0.101 1.00 0.00 C ATOM 1145 CG ASN A 640 -22.962 -1.759 -0.351 1.00 0.00 C ATOM 1146 OD1 ASN A 640 -23.699 -1.235 0.468 1.00 0.00 O ATOM 1147 ND2 ASN A 640 -22.566 -1.128 -1.443 1.00 0.00 N ATOM 0 H ASN A 640 -20.496 -5.313 0.005 1.00 0.00 H new ATOM 0 HA ASN A 640 -20.973 -2.979 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 640 -23.140 -3.877 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 640 -22.384 -3.324 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 640 -22.877 -0.173 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 640 -21.949 -1.596 -2.107 1.00 0.00 H new ATOM 1154 N VAL A 641 -20.142 -1.633 0.548 1.00 0.00 N ATOM 1155 CA VAL A 641 -19.280 -0.971 1.456 1.00 0.00 C ATOM 1156 C VAL A 641 -20.016 -0.827 2.809 1.00 0.00 C ATOM 1157 O VAL A 641 -21.197 -0.484 2.836 1.00 0.00 O ATOM 1158 CB VAL A 641 -18.848 0.423 0.893 1.00 0.00 C ATOM 1159 CG1 VAL A 641 -20.041 1.329 0.632 1.00 0.00 C ATOM 1160 CG2 VAL A 641 -17.870 1.083 1.811 1.00 0.00 C ATOM 0 H VAL A 641 -20.861 -1.029 0.151 1.00 0.00 H new ATOM 0 HA VAL A 641 -18.370 -1.553 1.598 1.00 0.00 H new ATOM 0 HB VAL A 641 -18.362 0.248 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 641 -19.693 2.286 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 641 -20.702 0.859 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 641 -20.584 1.493 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 641 -17.582 2.051 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 641 -18.328 1.225 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 641 -16.985 0.455 1.913 1.00 0.00 H new ATOM 1164 N LYS A 642 -19.347 -1.148 3.908 1.00 0.00 N ATOM 1165 CA LYS A 642 -19.978 -1.046 5.228 1.00 0.00 C ATOM 1166 C LYS A 642 -19.685 0.287 5.853 1.00 0.00 C ATOM 1167 O LYS A 642 -20.467 0.800 6.676 1.00 0.00 O ATOM 1168 CB LYS A 642 -19.560 -2.186 6.181 1.00 0.00 C ATOM 1169 CG LYS A 642 -18.061 -2.376 6.338 1.00 0.00 C ATOM 1170 CD LYS A 642 -17.730 -3.387 7.421 1.00 0.00 C ATOM 1171 CE LYS A 642 -17.954 -2.813 8.814 1.00 0.00 C ATOM 1172 NZ LYS A 642 -16.926 -1.817 9.192 1.00 0.00 N ATOM 0 H LYS A 642 -18.382 -1.477 3.919 1.00 0.00 H new ATOM 0 HA LYS A 642 -21.052 -1.142 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -19.991 -1.994 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -19.993 -3.119 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -17.636 -2.706 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -17.597 -1.420 6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -18.347 -4.276 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -16.691 -3.702 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -18.939 -2.347 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -17.953 -3.625 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -16.945 -1.673 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -15.987 -2.162 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -17.123 -0.915 8.712 1.00 0.00 H new ATOM 1186 N GLU A 643 -18.571 0.855 5.474 1.00 0.00 N ATOM 1187 CA GLU A 643 -18.197 2.127 5.975 1.00 0.00 C ATOM 1188 C GLU A 643 -18.904 3.212 5.217 1.00 0.00 C ATOM 1189 O GLU A 643 -19.306 3.021 4.070 1.00 0.00 O ATOM 1190 CB GLU A 643 -16.693 2.347 5.905 1.00 0.00 C ATOM 1191 CG GLU A 643 -15.918 1.487 6.858 1.00 0.00 C ATOM 1192 CD GLU A 643 -16.352 1.688 8.276 1.00 0.00 C ATOM 1193 OE1 GLU A 643 -15.992 2.716 8.888 1.00 0.00 O ATOM 1194 OE2 GLU A 643 -17.083 0.828 8.805 1.00 0.00 O ATOM 0 H GLU A 643 -17.910 0.444 4.815 1.00 0.00 H new ATOM 0 HA GLU A 643 -18.491 2.162 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 643 -16.352 2.149 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 643 -16.477 3.394 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 643 -16.044 0.439 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 643 -14.856 1.714 6.769 1.00 0.00 H new ATOM 1201 N LYS A 644 -19.078 4.320 5.868 1.00 0.00 N ATOM 1202 CA LYS A 644 -19.663 5.475 5.267 1.00 0.00 C ATOM 1203 C LYS A 644 -18.722 6.015 4.193 1.00 0.00 C ATOM 1204 O LYS A 644 -17.530 6.290 4.456 1.00 0.00 O ATOM 1205 CB LYS A 644 -19.937 6.510 6.343 1.00 0.00 C ATOM 1206 CG LYS A 644 -18.707 6.875 7.088 1.00 0.00 C ATOM 1207 CD LYS A 644 -18.980 7.726 8.268 1.00 0.00 C ATOM 1208 CE LYS A 644 -17.686 8.065 8.930 1.00 0.00 C ATOM 1209 NZ LYS A 644 -16.934 6.857 9.357 1.00 0.00 N ATOM 0 H LYS A 644 -18.814 4.448 6.845 1.00 0.00 H new ATOM 0 HA LYS A 644 -20.610 5.222 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 644 -20.363 7.403 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 644 -20.681 6.122 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 644 -18.201 5.966 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 644 -18.025 7.399 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 644 -19.498 8.636 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 644 -19.635 7.204 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 644 -17.072 8.648 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 644 -17.879 8.695 9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 -16.487 7.034 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 -17.587 6.052 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 -16.200 6.638 8.653 1.00 0.00 H new ATOM 1223 N THR A 645 -19.214 6.100 2.998 1.00 0.00 N ATOM 1224 CA THR A 645 -18.438 6.590 1.913 1.00 0.00 C ATOM 1225 C THR A 645 -18.338 8.090 1.980 1.00 0.00 C ATOM 1226 O THR A 645 -19.330 8.808 1.830 1.00 0.00 O ATOM 1227 CB THR A 645 -18.983 6.132 0.551 1.00 0.00 C ATOM 1228 OG1 THR A 645 -20.404 6.322 0.491 1.00 0.00 O ATOM 1229 CG2 THR A 645 -18.631 4.677 0.263 1.00 0.00 C ATOM 0 H THR A 645 -20.166 5.830 2.751 1.00 0.00 H new ATOM 0 HA THR A 645 -17.438 6.166 2.007 1.00 0.00 H new ATOM 0 HB THR A 645 -18.509 6.745 -0.216 1.00 0.00 H new ATOM 0 HG1 THR A 645 -20.634 7.192 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 645 -19.034 4.391 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 645 -17.547 4.559 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 645 -19.060 4.039 1.036 1.00 0.00 H new ATOM 1237 N LYS A 646 -17.169 8.546 2.272 1.00 0.00 N ATOM 1238 CA LYS A 646 -16.902 9.945 2.370 1.00 0.00 C ATOM 1239 C LYS A 646 -16.661 10.502 0.988 1.00 0.00 C ATOM 1240 O LYS A 646 -16.276 9.764 0.077 1.00 0.00 O ATOM 1241 CB LYS A 646 -15.679 10.187 3.263 1.00 0.00 C ATOM 1242 CG LYS A 646 -15.848 9.647 4.672 1.00 0.00 C ATOM 1243 CD LYS A 646 -14.655 9.939 5.577 1.00 0.00 C ATOM 1244 CE LYS A 646 -13.392 9.204 5.151 1.00 0.00 C ATOM 1245 NZ LYS A 646 -12.292 9.414 6.120 1.00 0.00 N ATOM 0 H LYS A 646 -16.359 7.953 2.452 1.00 0.00 H new ATOM 0 HA LYS A 646 -17.759 10.449 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 646 -14.806 9.722 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 646 -15.480 11.258 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 646 -16.745 10.080 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 646 -16.004 8.569 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 646 -14.461 11.012 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 646 -14.905 9.658 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 646 -13.602 8.138 5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 646 -13.082 9.551 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 646 -11.537 9.971 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 646 -12.654 9.925 6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 646 -11.912 8.493 6.419 1.00 0.00 H new ATOM 1259 N GLU A 647 -16.856 11.796 0.838 1.00 0.00 N ATOM 1260 CA GLU A 647 -16.644 12.460 -0.447 1.00 0.00 C ATOM 1261 C GLU A 647 -15.153 12.673 -0.675 1.00 0.00 C ATOM 1262 O GLU A 647 -14.715 13.097 -1.747 1.00 0.00 O ATOM 1263 CB GLU A 647 -17.376 13.803 -0.506 1.00 0.00 C ATOM 1264 CG GLU A 647 -16.928 14.795 0.552 1.00 0.00 C ATOM 1265 CD GLU A 647 -17.489 16.163 0.328 1.00 0.00 C ATOM 1266 OE1 GLU A 647 -16.914 16.920 -0.484 1.00 0.00 O ATOM 1267 OE2 GLU A 647 -18.507 16.509 0.940 1.00 0.00 O ATOM 0 H GLU A 647 -17.162 12.417 1.588 1.00 0.00 H new ATOM 0 HA GLU A 647 -17.048 11.820 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 647 -17.225 14.245 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 647 -18.446 13.628 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 647 -17.234 14.436 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 647 -15.839 14.849 0.558 1.00 0.00 H new ATOM 1274 N GLU A 648 -14.400 12.415 0.356 1.00 0.00 N ATOM 1275 CA GLU A 648 -12.984 12.504 0.337 1.00 0.00 C ATOM 1276 C GLU A 648 -12.459 11.610 1.425 1.00 0.00 C ATOM 1277 O GLU A 648 -12.895 11.713 2.577 1.00 0.00 O ATOM 1278 CB GLU A 648 -12.509 13.945 0.548 1.00 0.00 C ATOM 1279 CG GLU A 648 -11.009 14.094 0.472 1.00 0.00 C ATOM 1280 CD GLU A 648 -10.542 15.516 0.572 1.00 0.00 C ATOM 1281 OE1 GLU A 648 -10.458 16.193 -0.464 1.00 0.00 O ATOM 1282 OE2 GLU A 648 -10.206 15.973 1.690 1.00 0.00 O ATOM 0 H GLU A 648 -14.777 12.128 1.259 1.00 0.00 H new ATOM 0 HA GLU A 648 -12.607 12.189 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 648 -12.970 14.586 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 648 -12.854 14.295 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 648 -10.553 13.513 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 648 -10.657 13.670 -0.468 1.00 0.00 H new ATOM 1289 N TYR A 649 -11.604 10.697 1.059 1.00 0.00 N ATOM 1290 CA TYR A 649 -11.001 9.807 2.013 1.00 0.00 C ATOM 1291 C TYR A 649 -9.628 10.270 2.412 1.00 0.00 C ATOM 1292 O TYR A 649 -9.389 10.612 3.569 1.00 0.00 O ATOM 1293 CB TYR A 649 -10.953 8.380 1.476 1.00 0.00 C ATOM 1294 CG TYR A 649 -12.193 7.603 1.783 1.00 0.00 C ATOM 1295 CD1 TYR A 649 -13.363 7.805 1.093 1.00 0.00 C ATOM 1296 CD2 TYR A 649 -12.185 6.676 2.796 1.00 0.00 C ATOM 1297 CE1 TYR A 649 -14.487 7.103 1.409 1.00 0.00 C ATOM 1298 CE2 TYR A 649 -13.296 5.965 3.121 1.00 0.00 C ATOM 1299 CZ TYR A 649 -14.457 6.183 2.422 1.00 0.00 C ATOM 1300 OH TYR A 649 -15.596 5.494 2.728 1.00 0.00 O ATOM 0 H TYR A 649 -11.306 10.548 0.095 1.00 0.00 H new ATOM 0 HA TYR A 649 -11.626 9.817 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 649 -10.805 8.408 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 649 -10.092 7.865 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 649 -13.392 8.528 0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 649 -11.272 6.508 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 649 -15.402 7.272 0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 649 -13.266 5.238 3.919 1.00 0.00 H new ATOM 0 HH TYR A 649 -16.082 5.964 3.437 1.00 0.00 H new ATOM 1310 N GLY A 650 -8.748 10.305 1.458 1.00 0.00 N ATOM 1311 CA GLY A 650 -7.392 10.663 1.716 1.00 0.00 C ATOM 1312 C GLY A 650 -6.511 9.473 1.511 1.00 0.00 C ATOM 1313 O GLY A 650 -7.006 8.337 1.450 1.00 0.00 O ATOM 0 H GLY A 650 -8.951 10.086 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 650 -7.087 11.473 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 650 -7.291 11.032 2.737 1.00 0.00 H new ATOM 1317 N HIS A 651 -5.236 9.702 1.352 1.00 0.00 N ATOM 1318 CA HIS A 651 -4.296 8.628 1.217 1.00 0.00 C ATOM 1319 C HIS A 651 -4.273 7.803 2.505 1.00 0.00 C ATOM 1320 O HIS A 651 -4.398 8.354 3.585 1.00 0.00 O ATOM 1321 CB HIS A 651 -2.897 9.175 0.895 1.00 0.00 C ATOM 1322 CG HIS A 651 -1.873 8.109 0.734 1.00 0.00 C ATOM 1323 ND1 HIS A 651 -1.856 7.262 -0.331 1.00 0.00 N ATOM 1324 CD2 HIS A 651 -0.885 7.708 1.544 1.00 0.00 C ATOM 1325 CE1 HIS A 651 -0.902 6.377 -0.169 1.00 0.00 C ATOM 1326 NE2 HIS A 651 -0.299 6.627 0.954 1.00 0.00 N ATOM 0 H HIS A 651 -4.823 10.634 1.313 1.00 0.00 H new ATOM 0 HA HIS A 651 -4.603 7.985 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 651 -2.946 9.764 -0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 651 -2.586 9.851 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 651 -0.605 8.156 2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 651 -0.659 5.577 -0.853 1.00 0.00 H new ATOM 0 HE2 HIS A 651 0.487 6.099 1.334 1.00 0.00 H new ATOM 1335 N SER A 652 -4.176 6.482 2.356 1.00 0.00 N ATOM 1336 CA SER A 652 -4.094 5.520 3.473 1.00 0.00 C ATOM 1337 C SER A 652 -5.444 5.279 4.179 1.00 0.00 C ATOM 1338 O SER A 652 -5.545 4.421 5.053 1.00 0.00 O ATOM 1339 CB SER A 652 -2.994 5.896 4.486 1.00 0.00 C ATOM 1340 OG SER A 652 -1.724 5.964 3.845 1.00 0.00 O ATOM 0 H SER A 652 -4.151 6.034 1.440 1.00 0.00 H new ATOM 0 HA SER A 652 -3.815 4.572 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 652 -3.228 6.857 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 652 -2.963 5.159 5.288 1.00 0.00 H new ATOM 0 HG SER A 652 -1.038 6.205 4.502 1.00 0.00 H new ATOM 1346 N GLU A 653 -6.468 6.000 3.772 1.00 0.00 N ATOM 1347 CA GLU A 653 -7.782 5.846 4.357 1.00 0.00 C ATOM 1348 C GLU A 653 -8.456 4.671 3.716 1.00 0.00 C ATOM 1349 O GLU A 653 -8.616 4.631 2.485 1.00 0.00 O ATOM 1350 CB GLU A 653 -8.607 7.107 4.133 1.00 0.00 C ATOM 1351 CG GLU A 653 -9.812 7.208 5.040 1.00 0.00 C ATOM 1352 CD GLU A 653 -9.436 7.426 6.475 1.00 0.00 C ATOM 1353 OE1 GLU A 653 -8.989 6.490 7.135 1.00 0.00 O ATOM 1354 OE2 GLU A 653 -9.579 8.557 6.959 1.00 0.00 O ATOM 0 H GLU A 653 -6.414 6.702 3.034 1.00 0.00 H new ATOM 0 HA GLU A 653 -7.691 5.681 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 653 -7.972 7.979 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 653 -8.940 7.134 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 653 -10.446 8.029 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 653 -10.402 6.295 4.957 1.00 0.00 H new ATOM 1361 N VAL A 654 -8.799 3.702 4.526 1.00 0.00 N ATOM 1362 CA VAL A 654 -9.450 2.522 4.040 1.00 0.00 C ATOM 1363 C VAL A 654 -10.938 2.634 4.073 1.00 0.00 C ATOM 1364 O VAL A 654 -11.524 3.455 4.804 1.00 0.00 O ATOM 1365 CB VAL A 654 -9.060 1.216 4.758 1.00 0.00 C ATOM 1366 CG1 VAL A 654 -7.671 0.759 4.437 1.00 0.00 C ATOM 1367 CG2 VAL A 654 -9.273 1.306 6.233 1.00 0.00 C ATOM 0 H VAL A 654 -8.635 3.712 5.533 1.00 0.00 H new ATOM 0 HA VAL A 654 -9.091 2.459 3.013 1.00 0.00 H new ATOM 0 HB VAL A 654 -9.734 0.453 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 654 -7.459 -0.165 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 654 -7.584 0.583 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 654 -6.957 1.526 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 654 -8.986 0.364 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 654 -8.664 2.114 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 654 -10.325 1.506 6.437 1.00 0.00 H new ATOM 1371 N VAL A 655 -11.542 1.807 3.283 1.00 0.00 N ATOM 1372 CA VAL A 655 -12.961 1.716 3.192 1.00 0.00 C ATOM 1373 C VAL A 655 -13.346 0.273 3.396 1.00 0.00 C ATOM 1374 O VAL A 655 -13.105 -0.541 2.519 1.00 0.00 O ATOM 1375 CB VAL A 655 -13.440 2.118 1.788 1.00 0.00 C ATOM 1376 CG1 VAL A 655 -14.871 2.460 1.781 1.00 0.00 C ATOM 1377 CG2 VAL A 655 -12.617 3.209 1.206 1.00 0.00 C ATOM 0 H VAL A 655 -11.049 1.160 2.668 1.00 0.00 H new ATOM 0 HA VAL A 655 -13.408 2.375 3.937 1.00 0.00 H new ATOM 0 HB VAL A 655 -13.308 1.245 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 655 -15.173 2.739 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 655 -15.453 1.598 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 655 -15.049 3.296 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 655 -12.993 3.459 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 655 -12.673 4.089 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 655 -11.580 2.881 1.129 1.00 0.00 H new ATOM 1381 N GLU A 656 -13.828 -0.064 4.566 1.00 0.00 N ATOM 1382 CA GLU A 656 -14.307 -1.407 4.833 1.00 0.00 C ATOM 1383 C GLU A 656 -15.574 -1.736 4.043 1.00 0.00 C ATOM 1384 O GLU A 656 -16.540 -0.962 3.994 1.00 0.00 O ATOM 1385 CB GLU A 656 -14.528 -1.627 6.320 1.00 0.00 C ATOM 1386 CG GLU A 656 -13.261 -1.968 7.041 1.00 0.00 C ATOM 1387 CD GLU A 656 -13.369 -1.940 8.526 1.00 0.00 C ATOM 1388 OE1 GLU A 656 -14.310 -2.546 9.080 1.00 0.00 O ATOM 1389 OE2 GLU A 656 -12.473 -1.374 9.176 1.00 0.00 O ATOM 0 H GLU A 656 -13.901 0.575 5.358 1.00 0.00 H new ATOM 0 HA GLU A 656 -13.528 -2.091 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 656 -14.961 -0.727 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 656 -15.251 -2.430 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 656 -12.938 -2.962 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 656 -12.483 -1.270 6.733 1.00 0.00 H new ATOM 1396 N TYR A 657 -15.537 -2.871 3.453 1.00 0.00 N ATOM 1397 CA TYR A 657 -16.563 -3.436 2.646 1.00 0.00 C ATOM 1398 C TYR A 657 -17.141 -4.655 3.338 1.00 0.00 C ATOM 1399 O TYR A 657 -16.598 -5.121 4.337 1.00 0.00 O ATOM 1400 CB TYR A 657 -15.950 -3.883 1.319 1.00 0.00 C ATOM 1401 CG TYR A 657 -15.616 -2.780 0.347 1.00 0.00 C ATOM 1402 CD1 TYR A 657 -16.555 -2.342 -0.570 1.00 0.00 C ATOM 1403 CD2 TYR A 657 -14.369 -2.198 0.328 1.00 0.00 C ATOM 1404 CE1 TYR A 657 -16.260 -1.356 -1.479 1.00 0.00 C ATOM 1405 CE2 TYR A 657 -14.064 -1.205 -0.571 1.00 0.00 C ATOM 1406 CZ TYR A 657 -15.006 -0.788 -1.472 1.00 0.00 C ATOM 1407 OH TYR A 657 -14.685 0.186 -2.376 1.00 0.00 O ATOM 0 H TYR A 657 -14.724 -3.483 3.525 1.00 0.00 H new ATOM 0 HA TYR A 657 -17.347 -2.697 2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 657 -15.039 -4.443 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 657 -16.642 -4.572 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 657 -17.540 -2.785 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 657 -13.618 -2.527 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 657 -17.003 -1.030 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 657 -13.083 -0.754 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 657 -15.467 0.754 -2.537 1.00 0.00 H new ATOM 1417 N TYR A 658 -18.212 -5.172 2.789 1.00 0.00 N ATOM 1418 CA TYR A 658 -18.841 -6.389 3.262 1.00 0.00 C ATOM 1419 C TYR A 658 -19.497 -7.019 2.071 1.00 0.00 C ATOM 1420 O TYR A 658 -19.979 -6.308 1.205 1.00 0.00 O ATOM 1421 CB TYR A 658 -19.904 -6.112 4.361 1.00 0.00 C ATOM 1422 CG TYR A 658 -21.169 -5.386 3.898 1.00 0.00 C ATOM 1423 CD1 TYR A 658 -21.176 -4.029 3.699 1.00 0.00 C ATOM 1424 CD2 TYR A 658 -22.355 -6.075 3.675 1.00 0.00 C ATOM 1425 CE1 TYR A 658 -22.308 -3.367 3.297 1.00 0.00 C ATOM 1426 CE2 TYR A 658 -23.499 -5.416 3.273 1.00 0.00 C ATOM 1427 CZ TYR A 658 -23.464 -4.058 3.087 1.00 0.00 C ATOM 1428 OH TYR A 658 -24.601 -3.381 2.682 1.00 0.00 O ATOM 0 H TYR A 658 -18.683 -4.754 1.986 1.00 0.00 H new ATOM 0 HA TYR A 658 -18.092 -7.040 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -20.196 -7.064 4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -19.438 -5.522 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -20.268 -3.468 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -22.382 -7.145 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -22.283 -2.298 3.147 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -24.414 -5.965 3.106 1.00 0.00 H new ATOM 0 HH TYR A 658 -24.359 -2.704 2.016 1.00 0.00 H new ATOM 1438 N CYS A 659 -19.471 -8.293 1.956 1.00 0.00 N ATOM 1439 CA CYS A 659 -20.166 -8.898 0.868 1.00 0.00 C ATOM 1440 C CYS A 659 -21.426 -9.551 1.398 1.00 0.00 C ATOM 1441 O CYS A 659 -21.734 -9.441 2.597 1.00 0.00 O ATOM 1442 CB CYS A 659 -19.286 -9.900 0.125 1.00 0.00 C ATOM 1443 SG CYS A 659 -19.879 -10.300 -1.561 1.00 0.00 S ATOM 0 H CYS A 659 -18.988 -8.934 2.585 1.00 0.00 H new ATOM 0 HA CYS A 659 -20.435 -8.130 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 659 -18.274 -9.501 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 659 -19.228 -10.820 0.707 1.00 0.00 H new ATOM 1448 N ASN A 660 -22.162 -10.198 0.528 1.00 0.00 N ATOM 1449 CA ASN A 660 -23.374 -10.871 0.923 1.00 0.00 C ATOM 1450 C ASN A 660 -23.010 -12.088 1.757 1.00 0.00 C ATOM 1451 O ASN A 660 -21.938 -12.680 1.557 1.00 0.00 O ATOM 1452 CB ASN A 660 -24.212 -11.289 -0.299 1.00 0.00 C ATOM 1453 CG ASN A 660 -24.528 -10.136 -1.225 1.00 0.00 C ATOM 1454 OD1 ASN A 660 -25.488 -9.399 -1.025 1.00 0.00 O ATOM 1455 ND2 ASN A 660 -23.758 -10.005 -2.275 1.00 0.00 N ATOM 0 H ASN A 660 -21.940 -10.273 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 660 -23.982 -10.184 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 660 -23.674 -12.057 -0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 660 -25.144 -11.738 0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 660 -23.948 -9.272 -2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 660 -22.968 -10.636 -2.410 1.00 0.00 H new ATOM 1462 N PRO A 661 -23.892 -12.502 2.678 1.00 0.00 N ATOM 1463 CA PRO A 661 -23.650 -13.627 3.629 1.00 0.00 C ATOM 1464 C PRO A 661 -23.588 -15.014 2.960 1.00 0.00 C ATOM 1465 O PRO A 661 -23.870 -16.035 3.586 1.00 0.00 O ATOM 1466 CB PRO A 661 -24.882 -13.563 4.539 1.00 0.00 C ATOM 1467 CG PRO A 661 -25.932 -12.916 3.716 1.00 0.00 C ATOM 1468 CD PRO A 661 -25.222 -11.895 2.899 1.00 0.00 C ATOM 0 HA PRO A 661 -22.686 -13.518 4.126 1.00 0.00 H new ATOM 0 HB2 PRO A 661 -25.189 -14.559 4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 661 -24.677 -12.987 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 661 -26.438 -13.644 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 661 -26.695 -12.455 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 661 -25.738 -11.703 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 661 -25.147 -10.942 3.422 1.00 0.00 H new ATOM 1476 N ARG A 662 -23.223 -15.051 1.706 1.00 0.00 N ATOM 1477 CA ARG A 662 -23.171 -16.290 0.958 1.00 0.00 C ATOM 1478 C ARG A 662 -21.807 -16.380 0.316 1.00 0.00 C ATOM 1479 O ARG A 662 -21.535 -17.284 -0.468 1.00 0.00 O ATOM 1480 CB ARG A 662 -24.218 -16.286 -0.182 1.00 0.00 C ATOM 1481 CG ARG A 662 -25.534 -15.588 0.133 1.00 0.00 C ATOM 1482 CD ARG A 662 -26.232 -16.147 1.353 1.00 0.00 C ATOM 1483 NE ARG A 662 -26.665 -17.532 1.208 1.00 0.00 N ATOM 1484 CZ ARG A 662 -26.575 -18.449 2.178 1.00 0.00 C ATOM 1485 NH1 ARG A 662 -25.800 -18.230 3.250 1.00 0.00 N ATOM 1486 NH2 ARG A 662 -27.214 -19.600 2.052 1.00 0.00 N ATOM 0 H ARG A 662 -22.953 -14.227 1.170 1.00 0.00 H new ATOM 0 HA ARG A 662 -23.370 -17.124 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 662 -23.775 -15.809 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 662 -24.432 -17.319 -0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 662 -25.346 -14.525 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 662 -26.198 -15.674 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 662 -25.560 -16.075 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 662 -27.100 -15.528 1.577 1.00 0.00 H new ATOM 0 HE ARG A 662 -27.060 -17.819 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 662 -25.274 -17.360 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 662 -25.736 -18.934 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 662 -27.772 -19.785 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 662 -27.149 -20.303 2.788 1.00 0.00 H new ATOM 1500 N PHE A 663 -20.958 -15.425 0.638 1.00 0.00 N ATOM 1501 CA PHE A 663 -19.683 -15.287 -0.025 1.00 0.00 C ATOM 1502 C PHE A 663 -18.523 -15.316 0.948 1.00 0.00 C ATOM 1503 O PHE A 663 -18.699 -15.179 2.160 1.00 0.00 O ATOM 1504 CB PHE A 663 -19.629 -13.964 -0.807 1.00 0.00 C ATOM 1505 CG PHE A 663 -20.606 -13.838 -1.949 1.00 0.00 C ATOM 1506 CD1 PHE A 663 -21.959 -13.610 -1.727 1.00 0.00 C ATOM 1507 CD2 PHE A 663 -20.161 -13.919 -3.248 1.00 0.00 C ATOM 1508 CE1 PHE A 663 -22.828 -13.478 -2.780 1.00 0.00 C ATOM 1509 CE2 PHE A 663 -21.025 -13.792 -4.303 1.00 0.00 C ATOM 1510 CZ PHE A 663 -22.362 -13.570 -4.071 1.00 0.00 C ATOM 0 H PHE A 663 -21.133 -14.728 1.362 1.00 0.00 H new ATOM 0 HA PHE A 663 -19.590 -16.137 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -19.805 -13.144 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -18.620 -13.837 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -22.330 -13.536 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -19.111 -14.086 -3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -23.877 -13.302 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -20.657 -13.866 -5.316 1.00 0.00 H new ATOM 0 HZ PHE A 663 -23.045 -13.468 -4.901 1.00 0.00 H new ATOM 1520 N LEU A 664 -17.363 -15.507 0.393 1.00 0.00 N ATOM 1521 CA LEU A 664 -16.104 -15.478 1.072 1.00 0.00 C ATOM 1522 C LEU A 664 -15.377 -14.244 0.614 1.00 0.00 C ATOM 1523 O LEU A 664 -15.471 -13.862 -0.559 1.00 0.00 O ATOM 1524 CB LEU A 664 -15.284 -16.711 0.704 1.00 0.00 C ATOM 1525 CG LEU A 664 -15.908 -18.040 1.070 1.00 0.00 C ATOM 1526 CD1 LEU A 664 -15.066 -19.185 0.545 1.00 0.00 C ATOM 1527 CD2 LEU A 664 -16.056 -18.139 2.569 1.00 0.00 C ATOM 0 H LEU A 664 -17.266 -15.698 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 664 -16.253 -15.470 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -15.103 -16.698 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -14.312 -16.639 1.192 1.00 0.00 H new ATOM 0 HG LEU A 664 -16.895 -18.105 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -15.530 -20.133 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -14.993 -19.115 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -14.068 -19.132 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -16.506 -19.098 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -15.075 -18.060 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -16.694 -17.331 2.926 1.00 0.00 H new ATOM 1539 N MET A 665 -14.669 -13.631 1.492 1.00 0.00 N ATOM 1540 CA MET A 665 -14.007 -12.401 1.184 1.00 0.00 C ATOM 1541 C MET A 665 -12.520 -12.644 1.239 1.00 0.00 C ATOM 1542 O MET A 665 -11.937 -12.767 2.323 1.00 0.00 O ATOM 1543 CB MET A 665 -14.446 -11.360 2.196 1.00 0.00 C ATOM 1544 CG MET A 665 -14.533 -9.953 1.667 1.00 0.00 C ATOM 1545 SD MET A 665 -15.487 -8.903 2.762 1.00 0.00 S ATOM 1546 CE MET A 665 -15.709 -7.483 1.724 1.00 0.00 C ATOM 0 H MET A 665 -14.528 -13.962 2.446 1.00 0.00 H new ATOM 0 HA MET A 665 -14.261 -12.038 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 665 -15.422 -11.645 2.588 1.00 0.00 H new ATOM 0 HB3 MET A 665 -13.750 -11.374 3.034 1.00 0.00 H new ATOM 0 HG2 MET A 665 -13.530 -9.544 1.550 1.00 0.00 H new ATOM 0 HG3 MET A 665 -14.991 -9.962 0.678 1.00 0.00 H new ATOM 0 HE1 MET A 665 -15.134 -6.647 2.123 1.00 0.00 H new ATOM 0 HE2 MET A 665 -15.365 -7.712 0.716 1.00 0.00 H new ATOM 0 HE3 MET A 665 -16.765 -7.215 1.695 1.00 0.00 H new ATOM 1556 N LYS A 666 -11.924 -12.768 0.083 1.00 0.00 N ATOM 1557 CA LYS A 666 -10.519 -13.129 -0.039 1.00 0.00 C ATOM 1558 C LYS A 666 -9.602 -12.021 0.341 1.00 0.00 C ATOM 1559 O LYS A 666 -8.852 -12.119 1.317 1.00 0.00 O ATOM 1560 CB LYS A 666 -10.184 -13.536 -1.468 1.00 0.00 C ATOM 1561 CG LYS A 666 -10.705 -14.831 -1.897 1.00 0.00 C ATOM 1562 CD LYS A 666 -10.166 -15.965 -1.083 1.00 0.00 C ATOM 1563 CE LYS A 666 -10.649 -17.269 -1.643 1.00 0.00 C ATOM 1564 NZ LYS A 666 -10.177 -18.421 -0.853 1.00 0.00 N ATOM 0 H LYS A 666 -12.394 -12.623 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 666 -10.371 -13.962 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -10.565 -12.770 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -9.100 -13.547 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -11.793 -14.823 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -10.455 -14.990 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -9.076 -15.940 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -10.486 -15.864 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -11.739 -17.270 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -10.305 -17.371 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -10.534 -19.302 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -9.137 -18.436 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -10.526 -18.339 0.123 1.00 0.00 H new ATOM 1578 N GLY A 667 -9.683 -10.972 -0.405 1.00 0.00 N ATOM 1579 CA GLY A 667 -8.752 -9.928 -0.288 1.00 0.00 C ATOM 1580 C GLY A 667 -9.077 -8.953 0.820 1.00 0.00 C ATOM 1581 O GLY A 667 -9.962 -9.220 1.662 1.00 0.00 O ATOM 0 H GLY A 667 -10.403 -10.824 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 667 -7.763 -10.351 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 667 -8.702 -9.388 -1.234 1.00 0.00 H new ATOM 1585 N PRO A 668 -8.383 -7.816 0.846 1.00 0.00 N ATOM 1586 CA PRO A 668 -8.576 -6.789 1.861 1.00 0.00 C ATOM 1587 C PRO A 668 -9.972 -6.177 1.799 1.00 0.00 C ATOM 1588 O PRO A 668 -10.336 -5.536 0.813 1.00 0.00 O ATOM 1589 CB PRO A 668 -7.511 -5.733 1.517 1.00 0.00 C ATOM 1590 CG PRO A 668 -7.201 -5.961 0.080 1.00 0.00 C ATOM 1591 CD PRO A 668 -7.341 -7.432 -0.133 1.00 0.00 C ATOM 0 HA PRO A 668 -8.481 -7.191 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 668 -7.886 -4.723 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 668 -6.622 -5.851 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 668 -7.885 -5.405 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 668 -6.193 -5.624 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 668 -7.642 -7.664 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 668 -6.403 -7.957 0.050 1.00 0.00 H new ATOM 1599 N ASN A 669 -10.739 -6.331 2.873 1.00 0.00 N ATOM 1600 CA ASN A 669 -12.124 -5.844 2.941 1.00 0.00 C ATOM 1601 C ASN A 669 -12.174 -4.382 3.239 1.00 0.00 C ATOM 1602 O ASN A 669 -13.168 -3.886 3.667 1.00 0.00 O ATOM 1603 CB ASN A 669 -12.933 -6.590 4.019 1.00 0.00 C ATOM 1604 CG ASN A 669 -12.325 -6.552 5.410 1.00 0.00 C ATOM 1605 OD1 ASN A 669 -11.498 -7.397 5.758 1.00 0.00 O ATOM 1606 ND2 ASN A 669 -12.757 -5.617 6.220 1.00 0.00 N ATOM 0 H ASN A 669 -10.424 -6.796 3.724 1.00 0.00 H new ATOM 0 HA ASN A 669 -12.564 -6.032 1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 669 -13.934 -6.162 4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 669 -13.045 -7.631 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 669 -12.408 -5.570 7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 669 -13.442 -4.936 5.893 1.00 0.00 H new ATOM 1613 N LYS A 670 -11.097 -3.719 3.010 1.00 0.00 N ATOM 1614 CA LYS A 670 -10.922 -2.342 3.282 1.00 0.00 C ATOM 1615 C LYS A 670 -9.756 -1.866 2.504 1.00 0.00 C ATOM 1616 O LYS A 670 -8.619 -2.276 2.738 1.00 0.00 O ATOM 1617 CB LYS A 670 -10.763 -2.149 4.775 1.00 0.00 C ATOM 1618 CG LYS A 670 -10.025 -3.292 5.423 1.00 0.00 C ATOM 1619 CD LYS A 670 -10.063 -3.241 6.921 1.00 0.00 C ATOM 1620 CE LYS A 670 -9.512 -1.939 7.430 1.00 0.00 C ATOM 1621 NZ LYS A 670 -9.724 -1.777 8.885 1.00 0.00 N ATOM 0 H LYS A 670 -10.267 -4.151 2.604 1.00 0.00 H new ATOM 0 HA LYS A 670 -11.787 -1.752 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 670 -10.227 -1.219 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 670 -11.747 -2.048 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 670 -10.458 -4.234 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 670 -8.987 -3.281 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 670 -11.089 -3.366 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 670 -9.486 -4.069 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 670 -8.445 -1.887 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 670 -9.987 -1.113 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 670 -9.186 -0.954 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 670 -10.736 -1.631 9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 670 -9.399 -2.632 9.380 1.00 0.00 H new ATOM 1635 N ILE A 671 -10.027 -1.056 1.542 1.00 0.00 N ATOM 1636 CA ILE A 671 -8.997 -0.628 0.652 1.00 0.00 C ATOM 1637 C ILE A 671 -8.652 0.792 0.920 1.00 0.00 C ATOM 1638 O ILE A 671 -9.509 1.572 1.281 1.00 0.00 O ATOM 1639 CB ILE A 671 -9.351 -0.829 -0.847 1.00 0.00 C ATOM 1640 CG1 ILE A 671 -10.559 0.037 -1.244 1.00 0.00 C ATOM 1641 CG2 ILE A 671 -9.629 -2.302 -1.126 1.00 0.00 C ATOM 1642 CD1 ILE A 671 -10.943 -0.045 -2.706 1.00 0.00 C ATOM 0 H ILE A 671 -10.953 -0.674 1.348 1.00 0.00 H new ATOM 0 HA ILE A 671 -8.132 -1.263 0.846 1.00 0.00 H new ATOM 0 HB ILE A 671 -8.500 -0.514 -1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 671 -11.416 -0.261 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 671 -10.341 1.076 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 671 -9.876 -2.432 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 671 -8.744 -2.891 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 671 -10.466 -2.637 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 671 -11.803 0.598 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 671 -10.105 0.283 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 671 -11.197 -1.074 -2.958 1.00 0.00 H new ATOM 1649 N GLN A 672 -7.411 1.108 0.782 1.00 0.00 N ATOM 1650 CA GLN A 672 -6.942 2.429 1.026 1.00 0.00 C ATOM 1651 C GLN A 672 -6.482 3.071 -0.239 1.00 0.00 C ATOM 1652 O GLN A 672 -5.927 2.405 -1.121 1.00 0.00 O ATOM 1653 CB GLN A 672 -5.825 2.483 2.091 1.00 0.00 C ATOM 1654 CG GLN A 672 -4.535 1.733 1.778 1.00 0.00 C ATOM 1655 CD GLN A 672 -4.692 0.220 1.721 1.00 0.00 C ATOM 1656 OE1 GLN A 672 -4.582 -0.475 2.727 1.00 0.00 O ATOM 1657 NE2 GLN A 672 -4.903 -0.302 0.547 1.00 0.00 N ATOM 0 H GLN A 672 -6.686 0.451 0.494 1.00 0.00 H new ATOM 0 HA GLN A 672 -7.789 2.988 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 672 -5.575 3.529 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 672 -6.228 2.090 3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 672 -4.147 2.083 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 672 -3.790 1.982 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 672 -4.990 0.301 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 672 -4.981 -1.314 0.445 1.00 0.00 H new ATOM 1666 N CYS A 673 -6.747 4.335 -0.340 1.00 0.00 N ATOM 1667 CA CYS A 673 -6.311 5.136 -1.449 1.00 0.00 C ATOM 1668 C CYS A 673 -4.796 5.267 -1.422 1.00 0.00 C ATOM 1669 O CYS A 673 -4.219 5.784 -0.448 1.00 0.00 O ATOM 1670 CB CYS A 673 -6.992 6.507 -1.378 1.00 0.00 C ATOM 1671 SG CYS A 673 -6.226 7.827 -2.381 1.00 0.00 S ATOM 0 H CYS A 673 -7.282 4.853 0.357 1.00 0.00 H new ATOM 0 HA CYS A 673 -6.590 4.661 -2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 673 -8.029 6.393 -1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 673 -7.008 6.830 -0.337 1.00 0.00 H new ATOM 1676 N VAL A 674 -4.153 4.752 -2.442 1.00 0.00 N ATOM 1677 CA VAL A 674 -2.726 4.827 -2.569 1.00 0.00 C ATOM 1678 C VAL A 674 -2.366 5.784 -3.682 1.00 0.00 C ATOM 1679 O VAL A 674 -2.850 5.654 -4.800 1.00 0.00 O ATOM 1680 CB VAL A 674 -2.055 3.451 -2.752 1.00 0.00 C ATOM 1681 CG1 VAL A 674 -2.299 2.601 -1.534 1.00 0.00 C ATOM 1682 CG2 VAL A 674 -2.552 2.743 -3.988 1.00 0.00 C ATOM 0 H VAL A 674 -4.614 4.266 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 674 -2.331 5.210 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 674 -0.985 3.614 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 674 -1.823 1.629 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 674 -1.879 3.093 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 674 -3.371 2.464 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 674 -2.054 1.778 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 674 -3.629 2.590 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 674 -2.333 3.349 -4.867 1.00 0.00 H new ATOM 1686 N ASP A 675 -1.504 6.732 -3.356 1.00 0.00 N ATOM 1687 CA ASP A 675 -1.181 7.890 -4.200 1.00 0.00 C ATOM 1688 C ASP A 675 -2.432 8.678 -4.597 1.00 0.00 C ATOM 1689 O ASP A 675 -2.758 9.681 -3.971 1.00 0.00 O ATOM 1690 CB ASP A 675 -0.345 7.527 -5.421 1.00 0.00 C ATOM 1691 CG ASP A 675 -0.076 8.737 -6.270 1.00 0.00 C ATOM 1692 OD1 ASP A 675 0.452 9.719 -5.749 1.00 0.00 O ATOM 1693 OD2 ASP A 675 -0.420 8.726 -7.464 1.00 0.00 O ATOM 0 H ASP A 675 -0.991 6.725 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 675 -0.561 8.540 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 675 0.599 7.086 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 675 -0.866 6.773 -6.011 1.00 0.00 H new ATOM 1698 N GLY A 676 -3.131 8.188 -5.584 1.00 0.00 N ATOM 1699 CA GLY A 676 -4.340 8.791 -6.044 1.00 0.00 C ATOM 1700 C GLY A 676 -5.179 7.773 -6.751 1.00 0.00 C ATOM 1701 O GLY A 676 -5.899 8.094 -7.711 1.00 0.00 O ATOM 0 H GLY A 676 -2.868 7.346 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -4.892 9.209 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -4.112 9.618 -6.717 1.00 0.00 H new ATOM 1705 N GLU A 677 -5.064 6.534 -6.299 1.00 0.00 N ATOM 1706 CA GLU A 677 -5.761 5.405 -6.863 1.00 0.00 C ATOM 1707 C GLU A 677 -6.145 4.498 -5.716 1.00 0.00 C ATOM 1708 O GLU A 677 -5.529 4.546 -4.673 1.00 0.00 O ATOM 1709 CB GLU A 677 -4.807 4.639 -7.778 1.00 0.00 C ATOM 1710 CG GLU A 677 -4.255 5.439 -8.941 1.00 0.00 C ATOM 1711 CD GLU A 677 -3.115 4.742 -9.613 1.00 0.00 C ATOM 1712 OE1 GLU A 677 -3.349 3.859 -10.448 1.00 0.00 O ATOM 1713 OE2 GLU A 677 -1.939 5.055 -9.295 1.00 0.00 O ATOM 0 H GLU A 677 -4.467 6.287 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 677 -6.635 5.731 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 677 -3.973 4.271 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 677 -5.327 3.766 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 677 -5.049 5.618 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 677 -3.924 6.414 -8.585 1.00 0.00 H new ATOM 1720 N TRP A 678 -7.132 3.697 -5.876 1.00 0.00 N ATOM 1721 CA TRP A 678 -7.475 2.750 -4.841 1.00 0.00 C ATOM 1722 C TRP A 678 -6.762 1.424 -5.133 1.00 0.00 C ATOM 1723 O TRP A 678 -6.238 1.228 -6.243 1.00 0.00 O ATOM 1724 CB TRP A 678 -8.977 2.547 -4.794 1.00 0.00 C ATOM 1725 CG TRP A 678 -9.747 3.745 -4.310 1.00 0.00 C ATOM 1726 CD1 TRP A 678 -10.351 4.710 -5.066 1.00 0.00 C ATOM 1727 CD2 TRP A 678 -9.997 4.087 -2.953 1.00 0.00 C ATOM 1728 NE1 TRP A 678 -10.947 5.648 -4.248 1.00 0.00 N ATOM 1729 CE2 TRP A 678 -10.744 5.281 -2.943 1.00 0.00 C ATOM 1730 CE3 TRP A 678 -9.655 3.497 -1.744 1.00 0.00 C ATOM 1731 CZ2 TRP A 678 -11.149 5.888 -1.758 1.00 0.00 C ATOM 1732 CZ3 TRP A 678 -10.062 4.092 -0.580 1.00 0.00 C ATOM 1733 CH2 TRP A 678 -10.799 5.272 -0.592 1.00 0.00 C ATOM 0 H TRP A 678 -7.725 3.665 -6.705 1.00 0.00 H new ATOM 0 HA TRP A 678 -7.156 3.130 -3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 678 -9.328 2.283 -5.792 1.00 0.00 H new ATOM 0 HB3 TRP A 678 -9.198 1.701 -4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 678 -10.360 4.735 -6.146 1.00 0.00 H new ATOM 0 HE1 TRP A 678 -11.454 6.476 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 678 -9.078 2.584 -1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 -11.716 6.807 -1.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 -9.806 3.637 0.365 1.00 0.00 H new ATOM 0 HH2 TRP A 678 -11.102 5.712 0.347 1.00 0.00 H new ATOM 1744 N THR A 679 -6.723 0.539 -4.173 1.00 0.00 N ATOM 1745 CA THR A 679 -6.069 -0.740 -4.336 1.00 0.00 C ATOM 1746 C THR A 679 -7.041 -1.831 -4.831 1.00 0.00 C ATOM 1747 O THR A 679 -8.166 -1.528 -5.266 1.00 0.00 O ATOM 1748 CB THR A 679 -5.414 -1.146 -3.012 1.00 0.00 C ATOM 1749 OG1 THR A 679 -6.314 -0.879 -1.925 1.00 0.00 O ATOM 1750 CG2 THR A 679 -4.119 -0.388 -2.802 1.00 0.00 C ATOM 0 H THR A 679 -7.143 0.681 -3.254 1.00 0.00 H new ATOM 0 HA THR A 679 -5.302 -0.638 -5.104 1.00 0.00 H new ATOM 0 HB THR A 679 -5.190 -2.212 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 679 -6.268 -1.611 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 679 -3.670 -0.691 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 679 -3.431 -0.610 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 679 -4.323 0.682 -2.780 1.00 0.00 H new ATOM 1758 N THR A 680 -6.600 -3.075 -4.813 1.00 0.00 N ATOM 1759 CA THR A 680 -7.425 -4.181 -5.234 1.00 0.00 C ATOM 1760 C THR A 680 -8.522 -4.445 -4.211 1.00 0.00 C ATOM 1761 O THR A 680 -8.250 -4.573 -3.014 1.00 0.00 O ATOM 1762 CB THR A 680 -6.563 -5.444 -5.442 1.00 0.00 C ATOM 1763 OG1 THR A 680 -5.484 -5.121 -6.347 1.00 0.00 O ATOM 1764 CG2 THR A 680 -7.382 -6.586 -6.035 1.00 0.00 C ATOM 0 H THR A 680 -5.664 -3.342 -4.507 1.00 0.00 H new ATOM 0 HA THR A 680 -7.895 -3.923 -6.183 1.00 0.00 H new ATOM 0 HB THR A 680 -6.180 -5.766 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 680 -4.926 -5.914 -6.487 1.00 0.00 H new ATOM 0 HG21 THR A 680 -6.744 -7.460 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 680 -8.202 -6.834 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 680 -7.786 -6.281 -7.000 1.00 0.00 H new ATOM 1772 N LEU A 681 -9.754 -4.465 -4.695 1.00 0.00 N ATOM 1773 CA LEU A 681 -10.910 -4.733 -3.873 1.00 0.00 C ATOM 1774 C LEU A 681 -10.881 -6.129 -3.240 1.00 0.00 C ATOM 1775 O LEU A 681 -10.207 -7.028 -3.737 1.00 0.00 O ATOM 1776 CB LEU A 681 -12.221 -4.511 -4.639 1.00 0.00 C ATOM 1777 CG LEU A 681 -12.801 -3.104 -4.571 1.00 0.00 C ATOM 1778 CD1 LEU A 681 -12.044 -2.121 -5.437 1.00 0.00 C ATOM 1779 CD2 LEU A 681 -14.277 -3.122 -4.864 1.00 0.00 C ATOM 0 H LEU A 681 -9.975 -4.294 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 681 -10.867 -4.011 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 681 -12.055 -4.764 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 681 -12.966 -5.209 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 681 -12.676 -2.744 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 681 -12.499 -1.134 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 681 -11.006 -2.071 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 681 -12.081 -2.448 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 681 -14.671 -2.107 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 681 -14.445 -3.524 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 681 -14.786 -3.748 -4.131 1.00 0.00 H new ATOM 1791 N PRO A 682 -11.675 -6.333 -2.156 1.00 0.00 N ATOM 1792 CA PRO A 682 -11.686 -7.586 -1.373 1.00 0.00 C ATOM 1793 C PRO A 682 -12.136 -8.800 -2.126 1.00 0.00 C ATOM 1794 O PRO A 682 -11.942 -9.911 -1.644 1.00 0.00 O ATOM 1795 CB PRO A 682 -12.652 -7.305 -0.240 1.00 0.00 C ATOM 1796 CG PRO A 682 -13.478 -6.162 -0.702 1.00 0.00 C ATOM 1797 CD PRO A 682 -12.603 -5.339 -1.580 1.00 0.00 C ATOM 0 HA PRO A 682 -10.670 -7.829 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 682 -13.271 -8.176 -0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 682 -12.119 -7.059 0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 682 -14.355 -6.512 -1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 682 -13.840 -5.577 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 682 -13.176 -4.827 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 682 -12.073 -4.572 -1.015 1.00 0.00 H new ATOM 1805 N VAL A 683 -12.759 -8.570 -3.272 1.00 0.00 N ATOM 1806 CA VAL A 683 -13.229 -9.614 -4.193 1.00 0.00 C ATOM 1807 C VAL A 683 -13.918 -10.804 -3.506 1.00 0.00 C ATOM 1808 O VAL A 683 -13.284 -11.764 -3.061 1.00 0.00 O ATOM 1809 CB VAL A 683 -12.153 -10.067 -5.240 1.00 0.00 C ATOM 1810 CG1 VAL A 683 -11.849 -8.936 -6.203 1.00 0.00 C ATOM 1811 CG2 VAL A 683 -10.852 -10.568 -4.599 1.00 0.00 C ATOM 0 H VAL A 683 -12.961 -7.627 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 683 -14.014 -9.118 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 683 -12.585 -10.912 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 683 -11.101 -9.264 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 683 -12.760 -8.651 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 683 -11.467 -8.079 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 683 -10.152 -10.865 -5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 683 -10.411 -9.771 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 683 -11.067 -11.424 -3.960 1.00 0.00 H new ATOM 1815 N CYS A 684 -15.209 -10.728 -3.400 1.00 0.00 N ATOM 1816 CA CYS A 684 -15.926 -11.760 -2.732 1.00 0.00 C ATOM 1817 C CYS A 684 -16.465 -12.778 -3.700 1.00 0.00 C ATOM 1818 O CYS A 684 -16.963 -12.435 -4.781 1.00 0.00 O ATOM 1819 CB CYS A 684 -17.010 -11.191 -1.858 1.00 0.00 C ATOM 1820 SG CYS A 684 -18.213 -10.115 -2.701 1.00 0.00 S ATOM 0 H CYS A 684 -15.781 -9.967 -3.766 1.00 0.00 H new ATOM 0 HA CYS A 684 -15.223 -12.282 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 684 -17.550 -12.017 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 684 -16.543 -10.624 -1.053 1.00 0.00 H new ATOM 1825 N ILE A 685 -16.335 -14.017 -3.329 1.00 0.00 N ATOM 1826 CA ILE A 685 -16.750 -15.132 -4.136 1.00 0.00 C ATOM 1827 C ILE A 685 -17.528 -16.115 -3.297 1.00 0.00 C ATOM 1828 O ILE A 685 -17.277 -16.236 -2.120 1.00 0.00 O ATOM 1829 CB ILE A 685 -15.572 -15.832 -4.892 1.00 0.00 C ATOM 1830 CG1 ILE A 685 -14.351 -16.142 -3.967 1.00 0.00 C ATOM 1831 CG2 ILE A 685 -15.149 -14.983 -6.086 1.00 0.00 C ATOM 1832 CD1 ILE A 685 -13.451 -14.947 -3.667 1.00 0.00 C ATOM 0 H ILE A 685 -15.927 -14.290 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 685 -17.397 -14.734 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 685 -15.938 -16.797 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 685 -14.721 -16.545 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 685 -13.750 -16.923 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 685 -14.329 -15.474 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 685 -15.993 -14.864 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 685 -14.822 -14.003 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 685 -12.633 -15.261 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 685 -13.045 -14.554 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 685 -14.031 -14.171 -3.168 1.00 0.00 H new ATOM 1839 N VAL A 686 -18.480 -16.771 -3.912 1.00 0.00 N ATOM 1840 CA VAL A 686 -19.446 -17.654 -3.246 1.00 0.00 C ATOM 1841 C VAL A 686 -18.819 -18.743 -2.344 1.00 0.00 C ATOM 1842 O VAL A 686 -17.854 -19.420 -2.719 1.00 0.00 O ATOM 1843 CB VAL A 686 -20.416 -18.293 -4.286 1.00 0.00 C ATOM 1844 CG1 VAL A 686 -21.410 -19.242 -3.640 1.00 0.00 C ATOM 1845 CG2 VAL A 686 -21.163 -17.212 -5.038 1.00 0.00 C ATOM 0 H VAL A 686 -18.621 -16.714 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 686 -20.003 -17.007 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 686 -19.805 -18.873 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -22.063 -19.661 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -20.872 -20.048 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -22.009 -18.699 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -21.837 -17.671 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -21.740 -16.612 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -20.451 -16.574 -5.561 1.00 0.00 H new ATOM 1849 N GLU A 687 -19.385 -18.854 -1.152 1.00 0.00 N ATOM 1850 CA GLU A 687 -19.053 -19.854 -0.162 1.00 0.00 C ATOM 1851 C GLU A 687 -19.761 -21.155 -0.516 1.00 0.00 C ATOM 1852 O GLU A 687 -20.969 -21.306 -0.222 1.00 0.00 O ATOM 1853 CB GLU A 687 -19.471 -19.333 1.231 1.00 0.00 C ATOM 1854 CG GLU A 687 -19.555 -20.363 2.365 1.00 0.00 C ATOM 1855 CD GLU A 687 -18.287 -21.109 2.714 1.00 0.00 C ATOM 1856 OE1 GLU A 687 -18.000 -22.164 2.108 1.00 0.00 O ATOM 1857 OE2 GLU A 687 -17.616 -20.719 3.681 1.00 0.00 O ATOM 1858 OXT GLU A 687 -19.122 -22.029 -1.102 1.00 0.00 O ATOM 0 H GLU A 687 -20.120 -18.219 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 687 -17.981 -20.048 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -18.764 -18.559 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -20.446 -18.855 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -19.904 -19.851 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -20.317 -21.096 2.100 1.00 0.00 H new