USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 858 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 739 THR OG1 : rot 108:sc= -0.235 USER MOD Set 1.2: A 740 GLN :FLIP amide:sc= 0.335 F(o=-0.88,f=0.1) USER MOD Set 2.1: A 728 HIS : no HD1:sc= -0.389 X(o=-0.5,f=-0.48) USER MOD Set 2.2: A 730 SER OG : rot 180:sc= -0.107 USER MOD Set 3.1: A 651 HIS : no HD1:sc=-0.00884 X(o=-0.019,f=0.37) USER MOD Set 3.2: A 652 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 629 SER OG : rot -37:sc= 0.0925 USER MOD Single : A 638 ASN :FLIP amide:sc= -1.79! C(o=-3.5!,f=-1.8!) USER MOD Single : A 640 ASN : amide:sc= -0.592! C(o=-0.59!,f=-3.1!) USER MOD Single : A 642 LYS NZ :NH3+ -168:sc= 1.87 (180deg=1.45) USER MOD Single : A 644 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 THR OG1 : rot 28:sc= 0.037 USER MOD Single : A 646 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.09) USER MOD Single : A 649 TYR OH : rot 180:sc= 0.122 USER MOD Single : A 657 TYR OH : rot -152:sc= 1.23 USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 ASN : amide:sc= -1.17! C(o=-1.2!,f=-4.9!) USER MOD Single : A 665 MET CE :methyl 180:sc= -3.08! (180deg=-3.08!) USER MOD Single : A 666 LYS NZ :NH3+ -168:sc= -0.0121 (180deg=-0.226) USER MOD Single : A 669 ASN :FLIP amide:sc= -0.0762 F(o=-1.2,f=-0.076) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 672 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 679 THR OG1 : rot 180:sc= 0.69 USER MOD Single : A 680 THR OG1 : rot 180:sc= 0 USER MOD Single : A 690 THR OG1 : rot -24:sc= 0.167 USER MOD Single : A 699 HIS : no HE2:sc= 0.78 K(o=0.78,f=-3!) USER MOD Single : A 703 GLN :FLIP amide:sc= -3.87! C(o=-5.1!,f=-3.9!) USER MOD Single : A 705 SER OG : rot 180:sc= 0 USER MOD Single : A 706 SER OG : rot 180:sc= 0 USER MOD Single : A 709 TYR OH : rot 71:sc= -0.667! USER MOD Single : A 710 TYR OH : rot 180:sc= 0 USER MOD Single : A 711 TYR OH : rot 180:sc= 0 USER MOD Single : A 714 SER OG : rot 180:sc=-0.00173 USER MOD Single : A 718 ASN :FLIP amide:sc= 1.16 F(o=-0.46,f=1.2) USER MOD Single : A 720 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 THR OG1 : rot 180:sc= 0 USER MOD Single : A 725 MET CE :methyl -170:sc= -5.66! (180deg=-5.91!) USER MOD Single : A 732 THR OG1 : rot 180:sc= 0 USER MOD Single : A 735 HIS :FLIP no HD1:sc=-0.00502 F(o=-0.87,f=-0.005) USER MOD Single : A 743 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 103 N SER A 629 27.012 -8.931 -0.067 1.00 0.00 N ATOM 104 CA SER A 629 25.825 -9.279 0.650 1.00 0.00 C ATOM 105 C SER A 629 25.493 -8.238 1.708 1.00 0.00 C ATOM 106 O SER A 629 26.355 -7.465 2.136 1.00 0.00 O ATOM 107 CB SER A 629 25.953 -10.686 1.243 1.00 0.00 C ATOM 108 OG SER A 629 27.127 -10.832 2.041 1.00 0.00 O ATOM 0 HA SER A 629 24.989 -9.291 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 629 25.074 -10.903 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 629 25.972 -11.418 0.436 1.00 0.00 H new ATOM 0 HG SER A 629 27.865 -10.335 1.631 1.00 0.00 H new ATOM 114 N CYS A 630 24.268 -8.215 2.105 1.00 0.00 N ATOM 115 CA CYS A 630 23.776 -7.259 3.046 1.00 0.00 C ATOM 116 C CYS A 630 22.779 -7.957 3.963 1.00 0.00 C ATOM 117 O CYS A 630 22.653 -9.206 3.919 1.00 0.00 O ATOM 118 CB CYS A 630 23.113 -6.128 2.264 1.00 0.00 C ATOM 119 SG CYS A 630 21.886 -6.726 1.060 1.00 0.00 S ATOM 0 H CYS A 630 23.561 -8.874 1.779 1.00 0.00 H new ATOM 0 HA CYS A 630 24.577 -6.844 3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.628 -5.446 2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 630 23.880 -5.556 1.741 1.00 0.00 H new ATOM 124 N GLY A 631 22.082 -7.215 4.777 1.00 0.00 N ATOM 125 CA GLY A 631 21.141 -7.787 5.645 1.00 0.00 C ATOM 126 C GLY A 631 19.806 -7.180 5.393 1.00 0.00 C ATOM 127 O GLY A 631 19.443 -6.982 4.244 1.00 0.00 O ATOM 0 H GLY A 631 22.164 -6.200 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.097 -8.865 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 631 21.438 -7.623 6.681 1.00 0.00 H new ATOM 131 N PRO A 632 19.062 -6.835 6.430 1.00 0.00 N ATOM 132 CA PRO A 632 17.751 -6.228 6.281 1.00 0.00 C ATOM 133 C PRO A 632 17.835 -4.895 5.544 1.00 0.00 C ATOM 134 O PRO A 632 18.814 -4.139 5.716 1.00 0.00 O ATOM 135 CB PRO A 632 17.276 -6.004 7.716 1.00 0.00 C ATOM 136 CG PRO A 632 18.136 -6.877 8.546 1.00 0.00 C ATOM 137 CD PRO A 632 19.449 -6.967 7.833 1.00 0.00 C ATOM 0 HA PRO A 632 17.077 -6.856 5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 632 17.378 -4.958 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 632 16.224 -6.265 7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 632 18.263 -6.462 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 632 17.689 -7.864 8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 632 20.132 -6.175 8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 632 19.951 -7.915 8.027 1.00 0.00 H new ATOM 145 N PRO A 633 16.850 -4.614 4.692 1.00 0.00 N ATOM 146 CA PRO A 633 16.779 -3.366 3.950 1.00 0.00 C ATOM 147 C PRO A 633 16.739 -2.151 4.881 1.00 0.00 C ATOM 148 O PRO A 633 16.328 -2.261 6.056 1.00 0.00 O ATOM 149 CB PRO A 633 15.449 -3.475 3.182 1.00 0.00 C ATOM 150 CG PRO A 633 14.692 -4.554 3.868 1.00 0.00 C ATOM 151 CD PRO A 633 15.727 -5.502 4.369 1.00 0.00 C ATOM 0 HA PRO A 633 17.649 -3.225 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 633 14.902 -2.533 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 633 15.618 -3.718 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 633 14.094 -4.155 4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 633 14.004 -5.049 3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 633 15.382 -6.053 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 633 15.999 -6.240 3.615 1.00 0.00 H new ATOM 159 N PRO A 634 17.189 -0.999 4.387 1.00 0.00 N ATOM 160 CA PRO A 634 17.136 0.262 5.128 1.00 0.00 C ATOM 161 C PRO A 634 15.681 0.710 5.381 1.00 0.00 C ATOM 162 O PRO A 634 14.716 -0.061 5.172 1.00 0.00 O ATOM 163 CB PRO A 634 17.861 1.253 4.204 1.00 0.00 C ATOM 164 CG PRO A 634 17.854 0.622 2.860 1.00 0.00 C ATOM 165 CD PRO A 634 17.811 -0.847 3.069 1.00 0.00 C ATOM 0 HA PRO A 634 17.591 0.185 6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 634 17.353 2.217 4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 634 18.880 1.435 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 634 16.991 0.955 2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 634 18.743 0.905 2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 634 17.229 -1.344 2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 634 18.810 -1.283 3.046 1.00 0.00 H new ATOM 173 N GLU A 635 15.495 1.924 5.798 1.00 0.00 N ATOM 174 CA GLU A 635 14.166 2.360 6.101 1.00 0.00 C ATOM 175 C GLU A 635 13.717 3.368 5.078 1.00 0.00 C ATOM 176 O GLU A 635 14.541 3.979 4.391 1.00 0.00 O ATOM 177 CB GLU A 635 14.079 2.956 7.500 1.00 0.00 C ATOM 178 CG GLU A 635 14.705 4.321 7.626 1.00 0.00 C ATOM 179 CD GLU A 635 14.712 4.807 9.041 1.00 0.00 C ATOM 180 OE1 GLU A 635 15.661 4.517 9.780 1.00 0.00 O ATOM 181 OE2 GLU A 635 13.749 5.494 9.442 1.00 0.00 O ATOM 0 H GLU A 635 16.229 2.619 5.935 1.00 0.00 H new ATOM 0 HA GLU A 635 13.508 1.492 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 635 13.031 3.020 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 635 14.564 2.279 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 635 15.727 4.287 7.250 1.00 0.00 H new ATOM 0 HG3 GLU A 635 14.159 5.029 7.002 1.00 0.00 H new ATOM 188 N LEU A 636 12.447 3.549 4.970 1.00 0.00 N ATOM 189 CA LEU A 636 11.934 4.524 4.075 1.00 0.00 C ATOM 190 C LEU A 636 11.664 5.806 4.822 1.00 0.00 C ATOM 191 O LEU A 636 11.248 5.782 5.982 1.00 0.00 O ATOM 192 CB LEU A 636 10.683 4.011 3.341 1.00 0.00 C ATOM 193 CG LEU A 636 9.925 5.005 2.439 1.00 0.00 C ATOM 194 CD1 LEU A 636 10.822 5.640 1.411 1.00 0.00 C ATOM 195 CD2 LEU A 636 8.788 4.320 1.743 1.00 0.00 C ATOM 0 H LEU A 636 11.742 3.031 5.494 1.00 0.00 H new ATOM 0 HA LEU A 636 12.681 4.726 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 636 10.979 3.160 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 636 9.984 3.637 4.089 1.00 0.00 H new ATOM 0 HG LEU A 636 9.544 5.792 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 636 10.242 6.332 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 636 11.623 6.183 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 636 11.251 4.866 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 636 8.264 5.036 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 636 9.175 3.508 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 636 8.098 3.917 2.484 1.00 0.00 H new ATOM 207 N LEU A 637 11.977 6.892 4.145 1.00 0.00 N ATOM 208 CA LEU A 637 11.764 8.272 4.548 1.00 0.00 C ATOM 209 C LEU A 637 10.494 8.422 5.397 1.00 0.00 C ATOM 210 O LEU A 637 10.557 8.809 6.569 1.00 0.00 O ATOM 211 CB LEU A 637 11.651 9.089 3.233 1.00 0.00 C ATOM 212 CG LEU A 637 11.689 10.625 3.280 1.00 0.00 C ATOM 213 CD1 LEU A 637 11.821 11.151 1.877 1.00 0.00 C ATOM 214 CD2 LEU A 637 10.455 11.233 3.928 1.00 0.00 C ATOM 0 H LEU A 637 12.421 6.831 3.229 1.00 0.00 H new ATOM 0 HA LEU A 637 12.585 8.627 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 637 12.460 8.764 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 637 10.716 8.802 2.752 1.00 0.00 H new ATOM 0 HG LEU A 637 12.544 10.910 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 637 11.849 12.240 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 637 12.741 10.773 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 637 10.969 10.821 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 637 10.543 12.319 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 637 9.568 10.942 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 637 10.368 10.874 4.953 1.00 0.00 H new ATOM 226 N ASN A 638 9.357 8.106 4.817 1.00 0.00 N ATOM 227 CA ASN A 638 8.111 8.262 5.548 1.00 0.00 C ATOM 228 C ASN A 638 7.330 6.951 5.626 1.00 0.00 C ATOM 229 O ASN A 638 6.640 6.686 6.602 1.00 0.00 O ATOM 230 CB ASN A 638 7.249 9.370 4.932 1.00 0.00 C ATOM 231 CG ASN A 638 6.052 9.722 5.790 1.00 0.00 C ATOM 232 OD1 ASN A 638 4.946 9.095 5.561 1.00 0.00 O flip ATOM 233 ND2 ASN A 638 6.129 10.573 6.639 1.00 0.00 N flip ATOM 0 H ASN A 638 9.265 7.748 3.866 1.00 0.00 H new ATOM 0 HA ASN A 638 8.369 8.551 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 638 7.860 10.261 4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 638 6.905 9.053 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 638 7.014 11.054 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 638 5.309 10.813 7.196 1.00 0.00 H new ATOM 240 N GLY A 639 7.417 6.146 4.592 1.00 0.00 N ATOM 241 CA GLY A 639 6.741 4.863 4.606 1.00 0.00 C ATOM 242 C GLY A 639 7.637 3.796 5.168 1.00 0.00 C ATOM 243 O GLY A 639 8.431 4.078 6.051 1.00 0.00 O ATOM 0 H GLY A 639 7.941 6.350 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 639 5.831 4.932 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 639 6.439 4.595 3.594 1.00 0.00 H new ATOM 247 N ASN A 640 7.570 2.602 4.630 1.00 0.00 N ATOM 248 CA ASN A 640 8.395 1.517 5.120 1.00 0.00 C ATOM 249 C ASN A 640 8.364 0.371 4.133 1.00 0.00 C ATOM 250 O ASN A 640 7.806 0.504 3.060 1.00 0.00 O ATOM 251 CB ASN A 640 7.915 1.059 6.495 1.00 0.00 C ATOM 252 CG ASN A 640 9.024 0.356 7.273 1.00 0.00 C ATOM 253 OD1 ASN A 640 9.085 -0.868 7.312 1.00 0.00 O ATOM 254 ND2 ASN A 640 9.961 1.108 7.753 1.00 0.00 N ATOM 0 H ASN A 640 6.955 2.354 3.855 1.00 0.00 H new ATOM 0 HA ASN A 640 9.422 1.867 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 640 7.561 1.920 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 640 7.067 0.384 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 640 10.785 0.686 8.182 1.00 0.00 H new ATOM 0 HD22 ASN A 640 9.876 2.123 7.703 1.00 0.00 H new ATOM 261 N VAL A 641 8.947 -0.727 4.491 1.00 0.00 N ATOM 262 CA VAL A 641 9.033 -1.889 3.660 1.00 0.00 C ATOM 263 C VAL A 641 7.996 -2.923 4.105 1.00 0.00 C ATOM 264 O VAL A 641 7.884 -3.241 5.290 1.00 0.00 O ATOM 265 CB VAL A 641 10.479 -2.472 3.698 1.00 0.00 C ATOM 266 CG1 VAL A 641 10.971 -2.581 5.112 1.00 0.00 C ATOM 267 CG2 VAL A 641 10.544 -3.826 3.047 1.00 0.00 C ATOM 0 H VAL A 641 9.392 -0.846 5.401 1.00 0.00 H new ATOM 0 HA VAL A 641 8.815 -1.615 2.628 1.00 0.00 H new ATOM 0 HB VAL A 641 11.117 -1.785 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 641 11.981 -2.990 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.978 -1.593 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 641 10.311 -3.240 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 641 11.566 -4.202 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 641 9.881 -4.514 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 641 10.232 -3.744 2.006 1.00 0.00 H new ATOM 277 N LYS A 642 7.250 -3.437 3.156 1.00 0.00 N ATOM 278 CA LYS A 642 6.178 -4.387 3.459 1.00 0.00 C ATOM 279 C LYS A 642 6.719 -5.806 3.384 1.00 0.00 C ATOM 280 O LYS A 642 6.073 -6.765 3.808 1.00 0.00 O ATOM 281 CB LYS A 642 5.055 -4.206 2.445 1.00 0.00 C ATOM 282 CG LYS A 642 5.389 -4.726 1.070 1.00 0.00 C ATOM 283 CD LYS A 642 4.620 -4.025 0.004 1.00 0.00 C ATOM 284 CE LYS A 642 5.175 -2.644 -0.217 1.00 0.00 C ATOM 285 NZ LYS A 642 4.574 -2.014 -1.413 1.00 0.00 N ATOM 0 H LYS A 642 7.357 -3.221 2.165 1.00 0.00 H new ATOM 0 HA LYS A 642 5.795 -4.207 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 642 4.163 -4.716 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 642 4.810 -3.146 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 642 6.456 -4.604 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 642 5.178 -5.794 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 642 4.667 -4.596 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 642 3.569 -3.961 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 642 4.981 -2.026 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 642 6.257 -2.698 -0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 5.111 -1.159 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 4.601 -2.683 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 3.587 -1.757 -1.211 1.00 0.00 H new ATOM 299 N GLU A 643 7.900 -5.912 2.820 1.00 0.00 N ATOM 300 CA GLU A 643 8.570 -7.166 2.635 1.00 0.00 C ATOM 301 C GLU A 643 9.152 -7.611 3.954 1.00 0.00 C ATOM 302 O GLU A 643 9.589 -6.769 4.765 1.00 0.00 O ATOM 303 CB GLU A 643 9.711 -6.997 1.628 1.00 0.00 C ATOM 304 CG GLU A 643 9.299 -6.375 0.302 1.00 0.00 C ATOM 305 CD GLU A 643 8.330 -7.219 -0.471 1.00 0.00 C ATOM 306 OE1 GLU A 643 8.780 -8.087 -1.233 1.00 0.00 O ATOM 307 OE2 GLU A 643 7.111 -7.025 -0.338 1.00 0.00 O ATOM 0 H GLU A 643 8.427 -5.111 2.473 1.00 0.00 H new ATOM 0 HA GLU A 643 7.859 -7.905 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 643 10.487 -6.379 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 643 10.154 -7.974 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 643 8.852 -5.399 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 643 10.189 -6.207 -0.305 1.00 0.00 H new ATOM 314 N LYS A 644 9.135 -8.896 4.185 1.00 0.00 N ATOM 315 CA LYS A 644 9.747 -9.465 5.370 1.00 0.00 C ATOM 316 C LYS A 644 11.258 -9.277 5.298 1.00 0.00 C ATOM 317 O LYS A 644 11.831 -9.208 4.204 1.00 0.00 O ATOM 318 CB LYS A 644 9.442 -10.962 5.483 1.00 0.00 C ATOM 319 CG LYS A 644 9.885 -11.777 4.272 1.00 0.00 C ATOM 320 CD LYS A 644 9.941 -13.266 4.572 1.00 0.00 C ATOM 321 CE LYS A 644 10.980 -13.565 5.652 1.00 0.00 C ATOM 322 NZ LYS A 644 11.192 -15.012 5.829 1.00 0.00 N ATOM 0 H LYS A 644 8.701 -9.580 3.565 1.00 0.00 H new ATOM 0 HA LYS A 644 9.338 -8.956 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 644 9.932 -11.356 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 644 8.369 -11.094 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 644 9.197 -11.600 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 644 10.868 -11.436 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 644 8.961 -13.612 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 644 10.187 -13.815 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 644 11.925 -13.090 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 644 10.657 -13.128 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 644 11.904 -15.170 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 644 10.297 -15.463 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 644 11.525 -15.426 4.935 1.00 0.00 H new ATOM 336 N THR A 645 11.902 -9.199 6.423 1.00 0.00 N ATOM 337 CA THR A 645 13.326 -9.072 6.432 1.00 0.00 C ATOM 338 C THR A 645 13.972 -10.432 6.585 1.00 0.00 C ATOM 339 O THR A 645 13.728 -11.146 7.554 1.00 0.00 O ATOM 340 CB THR A 645 13.845 -8.085 7.507 1.00 0.00 C ATOM 341 OG1 THR A 645 13.333 -8.399 8.816 1.00 0.00 O ATOM 342 CG2 THR A 645 13.488 -6.659 7.144 1.00 0.00 C ATOM 0 H THR A 645 11.465 -9.221 7.344 1.00 0.00 H new ATOM 0 HA THR A 645 13.611 -8.645 5.471 1.00 0.00 H new ATOM 0 HB THR A 645 14.930 -8.186 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 645 13.141 -9.359 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 645 13.862 -5.983 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 645 13.940 -6.404 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 645 12.405 -6.562 7.072 1.00 0.00 H new ATOM 350 N LYS A 646 14.766 -10.806 5.614 1.00 0.00 N ATOM 351 CA LYS A 646 15.437 -12.099 5.650 1.00 0.00 C ATOM 352 C LYS A 646 16.699 -12.002 6.458 1.00 0.00 C ATOM 353 O LYS A 646 17.245 -13.011 6.896 1.00 0.00 O ATOM 354 CB LYS A 646 15.747 -12.605 4.243 1.00 0.00 C ATOM 355 CG LYS A 646 14.519 -12.698 3.372 1.00 0.00 C ATOM 356 CD LYS A 646 14.788 -13.379 2.037 1.00 0.00 C ATOM 357 CE LYS A 646 15.759 -12.608 1.161 1.00 0.00 C ATOM 358 NZ LYS A 646 15.929 -13.263 -0.142 1.00 0.00 N ATOM 0 H LYS A 646 14.969 -10.243 4.788 1.00 0.00 H new ATOM 0 HA LYS A 646 14.764 -12.815 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 646 16.470 -11.939 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 646 16.215 -13.587 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 646 13.743 -13.248 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 646 14.132 -11.695 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 646 15.186 -14.377 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 646 13.846 -13.503 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 646 15.394 -11.591 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 646 16.724 -12.532 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 646 16.636 -12.744 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 646 16.251 -14.242 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 646 15.021 -13.268 -0.649 1.00 0.00 H new ATOM 372 N GLU A 647 17.185 -10.758 6.600 1.00 0.00 N ATOM 373 CA GLU A 647 18.385 -10.394 7.386 1.00 0.00 C ATOM 374 C GLU A 647 19.686 -10.875 6.750 1.00 0.00 C ATOM 375 O GLU A 647 20.766 -10.436 7.129 1.00 0.00 O ATOM 376 CB GLU A 647 18.250 -10.854 8.828 1.00 0.00 C ATOM 377 CG GLU A 647 17.032 -10.287 9.526 1.00 0.00 C ATOM 378 CD GLU A 647 16.827 -10.884 10.878 1.00 0.00 C ATOM 379 OE1 GLU A 647 17.429 -10.407 11.859 1.00 0.00 O ATOM 380 OE2 GLU A 647 16.075 -11.854 10.989 1.00 0.00 O ATOM 0 H GLU A 647 16.744 -9.951 6.160 1.00 0.00 H new ATOM 0 HA GLU A 647 18.444 -9.306 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 647 18.200 -11.943 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 647 19.144 -10.564 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 647 17.140 -9.206 9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 647 16.148 -10.467 8.914 1.00 0.00 H new ATOM 387 N GLU A 648 19.578 -11.747 5.798 1.00 0.00 N ATOM 388 CA GLU A 648 20.696 -12.201 5.044 1.00 0.00 C ATOM 389 C GLU A 648 20.317 -12.142 3.588 1.00 0.00 C ATOM 390 O GLU A 648 19.506 -12.936 3.103 1.00 0.00 O ATOM 391 CB GLU A 648 21.125 -13.614 5.457 1.00 0.00 C ATOM 392 CG GLU A 648 22.293 -14.155 4.644 1.00 0.00 C ATOM 393 CD GLU A 648 22.752 -15.512 5.098 1.00 0.00 C ATOM 394 OE1 GLU A 648 21.959 -16.472 5.050 1.00 0.00 O ATOM 395 OE2 GLU A 648 23.936 -15.656 5.460 1.00 0.00 O ATOM 0 H GLU A 648 18.692 -12.169 5.520 1.00 0.00 H new ATOM 0 HA GLU A 648 21.557 -11.561 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 648 21.398 -13.608 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 648 20.275 -14.289 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 648 22.003 -14.209 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 648 23.127 -13.456 4.709 1.00 0.00 H new ATOM 402 N TYR A 649 20.817 -11.150 2.926 1.00 0.00 N ATOM 403 CA TYR A 649 20.548 -10.944 1.532 1.00 0.00 C ATOM 404 C TYR A 649 21.840 -11.071 0.768 1.00 0.00 C ATOM 405 O TYR A 649 22.881 -11.408 1.350 1.00 0.00 O ATOM 406 CB TYR A 649 19.913 -9.561 1.283 1.00 0.00 C ATOM 407 CG TYR A 649 18.511 -9.382 1.844 1.00 0.00 C ATOM 408 CD1 TYR A 649 18.271 -9.443 3.203 1.00 0.00 C ATOM 409 CD2 TYR A 649 17.432 -9.147 1.008 1.00 0.00 C ATOM 410 CE1 TYR A 649 17.017 -9.277 3.716 1.00 0.00 C ATOM 411 CE2 TYR A 649 16.160 -8.978 1.524 1.00 0.00 C ATOM 412 CZ TYR A 649 15.969 -9.043 2.882 1.00 0.00 C ATOM 413 OH TYR A 649 14.717 -8.891 3.417 1.00 0.00 O ATOM 0 H TYR A 649 21.432 -10.449 3.339 1.00 0.00 H new ATOM 0 HA TYR A 649 19.836 -11.696 1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 649 20.560 -8.798 1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 649 19.883 -9.381 0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 649 19.096 -9.626 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 649 17.586 -9.095 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 649 16.858 -9.331 4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 649 15.324 -8.796 0.864 1.00 0.00 H new ATOM 0 HH TYR A 649 14.071 -8.729 2.698 1.00 0.00 H new ATOM 423 N GLY A 650 21.789 -10.784 -0.487 1.00 0.00 N ATOM 424 CA GLY A 650 22.920 -10.905 -1.333 1.00 0.00 C ATOM 425 C GLY A 650 22.764 -10.005 -2.514 1.00 0.00 C ATOM 426 O GLY A 650 22.002 -9.041 -2.463 1.00 0.00 O ATOM 0 H GLY A 650 20.947 -10.454 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 650 23.826 -10.647 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 650 23.030 -11.938 -1.663 1.00 0.00 H new ATOM 430 N HIS A 651 23.421 -10.329 -3.570 1.00 0.00 N ATOM 431 CA HIS A 651 23.404 -9.520 -4.755 1.00 0.00 C ATOM 432 C HIS A 651 22.115 -9.729 -5.541 1.00 0.00 C ATOM 433 O HIS A 651 21.633 -10.847 -5.658 1.00 0.00 O ATOM 434 CB HIS A 651 24.638 -9.842 -5.607 1.00 0.00 C ATOM 435 CG HIS A 651 24.855 -8.950 -6.788 1.00 0.00 C ATOM 436 ND1 HIS A 651 25.262 -7.649 -6.661 1.00 0.00 N ATOM 437 CD2 HIS A 651 24.758 -9.184 -8.117 1.00 0.00 C ATOM 438 CE1 HIS A 651 25.404 -7.121 -7.852 1.00 0.00 C ATOM 439 NE2 HIS A 651 25.106 -8.027 -8.755 1.00 0.00 N ATOM 0 H HIS A 651 23.994 -11.170 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 651 23.438 -8.468 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 651 25.521 -9.793 -4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 651 24.556 -10.870 -5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 651 24.461 -10.111 -8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 651 25.715 -6.107 -8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 651 25.130 -7.890 -9.765 1.00 0.00 H new ATOM 448 N SER A 652 21.544 -8.618 -5.994 1.00 0.00 N ATOM 449 CA SER A 652 20.370 -8.584 -6.863 1.00 0.00 C ATOM 450 C SER A 652 19.061 -8.901 -6.115 1.00 0.00 C ATOM 451 O SER A 652 18.032 -9.197 -6.731 1.00 0.00 O ATOM 452 CB SER A 652 20.574 -9.479 -8.091 1.00 0.00 C ATOM 453 OG SER A 652 21.761 -9.116 -8.784 1.00 0.00 O ATOM 0 H SER A 652 21.894 -7.689 -5.761 1.00 0.00 H new ATOM 0 HA SER A 652 20.260 -7.558 -7.215 1.00 0.00 H new ATOM 0 HB2 SER A 652 20.632 -10.522 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 652 19.716 -9.392 -8.758 1.00 0.00 H new ATOM 0 HG SER A 652 21.876 -9.699 -9.564 1.00 0.00 H new ATOM 459 N GLU A 653 19.091 -8.792 -4.804 1.00 0.00 N ATOM 460 CA GLU A 653 17.895 -8.981 -3.992 1.00 0.00 C ATOM 461 C GLU A 653 17.141 -7.660 -3.942 1.00 0.00 C ATOM 462 O GLU A 653 17.752 -6.623 -3.687 1.00 0.00 O ATOM 463 CB GLU A 653 18.278 -9.407 -2.576 1.00 0.00 C ATOM 464 CG GLU A 653 19.028 -10.727 -2.487 1.00 0.00 C ATOM 465 CD GLU A 653 18.195 -11.919 -2.874 1.00 0.00 C ATOM 466 OE1 GLU A 653 18.119 -12.262 -4.058 1.00 0.00 O ATOM 467 OE2 GLU A 653 17.613 -12.543 -1.989 1.00 0.00 O ATOM 0 H GLU A 653 19.932 -8.573 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 653 17.271 -9.760 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 653 18.893 -8.625 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 653 17.371 -9.480 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 653 19.905 -10.682 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 653 19.390 -10.862 -1.468 1.00 0.00 H new ATOM 474 N VAL A 654 15.850 -7.686 -4.204 1.00 0.00 N ATOM 475 CA VAL A 654 15.049 -6.468 -4.211 1.00 0.00 C ATOM 476 C VAL A 654 14.053 -6.411 -3.079 1.00 0.00 C ATOM 477 O VAL A 654 13.514 -7.434 -2.630 1.00 0.00 O ATOM 478 CB VAL A 654 14.315 -6.202 -5.550 1.00 0.00 C ATOM 479 CG1 VAL A 654 15.287 -5.794 -6.632 1.00 0.00 C ATOM 480 CG2 VAL A 654 13.526 -7.412 -5.976 1.00 0.00 C ATOM 0 H VAL A 654 15.328 -8.536 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 654 15.787 -5.677 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 654 13.621 -5.377 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 654 14.744 -5.614 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 654 15.804 -4.883 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 654 16.015 -6.590 -6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 654 13.019 -7.203 -6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 654 14.200 -8.258 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 654 12.787 -7.652 -5.212 1.00 0.00 H new ATOM 490 N VAL A 655 13.813 -5.211 -2.634 1.00 0.00 N ATOM 491 CA VAL A 655 12.921 -4.936 -1.552 1.00 0.00 C ATOM 492 C VAL A 655 11.918 -3.876 -1.970 1.00 0.00 C ATOM 493 O VAL A 655 12.293 -2.881 -2.594 1.00 0.00 O ATOM 494 CB VAL A 655 13.732 -4.482 -0.317 1.00 0.00 C ATOM 495 CG1 VAL A 655 12.864 -3.774 0.688 1.00 0.00 C ATOM 496 CG2 VAL A 655 14.391 -5.692 0.327 1.00 0.00 C ATOM 0 H VAL A 655 14.246 -4.376 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 655 12.370 -5.839 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 655 14.493 -3.777 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 655 13.470 -3.470 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 655 12.418 -2.892 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 655 12.074 -4.446 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 655 14.964 -5.374 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 655 13.624 -6.402 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 655 15.058 -6.168 -0.391 1.00 0.00 H new ATOM 506 N GLU A 656 10.655 -4.103 -1.647 1.00 0.00 N ATOM 507 CA GLU A 656 9.613 -3.195 -1.998 1.00 0.00 C ATOM 508 C GLU A 656 9.102 -2.428 -0.771 1.00 0.00 C ATOM 509 O GLU A 656 8.801 -3.005 0.292 1.00 0.00 O ATOM 510 CB GLU A 656 8.467 -3.925 -2.670 1.00 0.00 C ATOM 511 CG GLU A 656 7.435 -2.981 -3.225 1.00 0.00 C ATOM 512 CD GLU A 656 6.253 -3.667 -3.836 1.00 0.00 C ATOM 513 OE1 GLU A 656 5.343 -4.055 -3.086 1.00 0.00 O ATOM 514 OE2 GLU A 656 6.180 -3.778 -5.062 1.00 0.00 O ATOM 0 H GLU A 656 10.339 -4.926 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 656 10.031 -2.474 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 656 8.858 -4.547 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 656 7.994 -4.594 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 656 7.089 -2.325 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 656 7.904 -2.347 -3.977 1.00 0.00 H new ATOM 521 N TYR A 657 8.996 -1.156 -0.942 1.00 0.00 N ATOM 522 CA TYR A 657 8.543 -0.236 0.057 1.00 0.00 C ATOM 523 C TYR A 657 7.133 0.256 -0.250 1.00 0.00 C ATOM 524 O TYR A 657 6.610 0.048 -1.352 1.00 0.00 O ATOM 525 CB TYR A 657 9.491 0.960 0.115 1.00 0.00 C ATOM 526 CG TYR A 657 10.832 0.680 0.761 1.00 0.00 C ATOM 527 CD1 TYR A 657 11.873 0.120 0.039 1.00 0.00 C ATOM 528 CD2 TYR A 657 11.059 0.982 2.100 1.00 0.00 C ATOM 529 CE1 TYR A 657 13.087 -0.130 0.627 1.00 0.00 C ATOM 530 CE2 TYR A 657 12.267 0.737 2.690 1.00 0.00 C ATOM 531 CZ TYR A 657 13.282 0.175 1.948 1.00 0.00 C ATOM 532 OH TYR A 657 14.498 -0.067 2.520 1.00 0.00 O ATOM 0 H TYR A 657 9.233 -0.701 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 657 8.529 -0.752 1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 657 9.661 1.320 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 657 9.002 1.766 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 657 11.727 -0.124 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 657 10.264 1.419 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 657 13.888 -0.567 0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 657 12.424 0.982 3.730 1.00 0.00 H new ATOM 0 HH TYR A 657 14.381 -0.236 3.478 1.00 0.00 H new ATOM 542 N TYR A 658 6.531 0.871 0.728 1.00 0.00 N ATOM 543 CA TYR A 658 5.234 1.495 0.624 1.00 0.00 C ATOM 544 C TYR A 658 5.327 2.785 1.408 1.00 0.00 C ATOM 545 O TYR A 658 6.117 2.859 2.338 1.00 0.00 O ATOM 546 CB TYR A 658 4.116 0.595 1.243 1.00 0.00 C ATOM 547 CG TYR A 658 4.207 0.366 2.762 1.00 0.00 C ATOM 548 CD1 TYR A 658 3.650 1.273 3.662 1.00 0.00 C ATOM 549 CD2 TYR A 658 4.840 -0.746 3.284 1.00 0.00 C ATOM 550 CE1 TYR A 658 3.726 1.074 5.022 1.00 0.00 C ATOM 551 CE2 TYR A 658 4.917 -0.947 4.654 1.00 0.00 C ATOM 552 CZ TYR A 658 4.357 -0.031 5.512 1.00 0.00 C ATOM 553 OH TYR A 658 4.410 -0.233 6.878 1.00 0.00 O ATOM 0 H TYR A 658 6.943 0.957 1.657 1.00 0.00 H new ATOM 0 HA TYR A 658 4.974 1.660 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 658 3.148 1.044 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 658 4.140 -0.375 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 658 3.148 2.151 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 658 5.282 -1.470 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 658 3.287 1.791 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 658 5.416 -1.821 5.046 1.00 0.00 H new ATOM 0 HH TYR A 658 4.892 -1.065 7.067 1.00 0.00 H new ATOM 563 N CYS A 659 4.583 3.773 1.064 1.00 0.00 N ATOM 564 CA CYS A 659 4.570 4.977 1.856 1.00 0.00 C ATOM 565 C CYS A 659 3.411 4.928 2.798 1.00 0.00 C ATOM 566 O CYS A 659 2.508 4.101 2.624 1.00 0.00 O ATOM 567 CB CYS A 659 4.528 6.243 0.990 1.00 0.00 C ATOM 568 SG CYS A 659 6.066 6.581 0.074 1.00 0.00 S ATOM 0 H CYS A 659 3.974 3.785 0.246 1.00 0.00 H new ATOM 0 HA CYS A 659 5.500 5.028 2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 659 3.708 6.154 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 659 4.305 7.098 1.628 1.00 0.00 H new ATOM 573 N ASN A 660 3.461 5.762 3.832 1.00 0.00 N ATOM 574 CA ASN A 660 2.350 5.888 4.772 1.00 0.00 C ATOM 575 C ASN A 660 1.098 6.213 3.975 1.00 0.00 C ATOM 576 O ASN A 660 1.197 6.865 2.953 1.00 0.00 O ATOM 577 CB ASN A 660 2.599 7.029 5.747 1.00 0.00 C ATOM 578 CG ASN A 660 2.739 6.605 7.200 1.00 0.00 C ATOM 579 OD1 ASN A 660 1.756 6.519 7.916 1.00 0.00 O ATOM 580 ND2 ASN A 660 3.947 6.394 7.653 1.00 0.00 N ATOM 0 H ASN A 660 4.259 6.362 4.041 1.00 0.00 H new ATOM 0 HA ASN A 660 2.244 4.958 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 660 3.506 7.554 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 660 1.778 7.742 5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 660 4.089 6.149 8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 660 4.748 6.474 7.026 1.00 0.00 H new ATOM 587 N PRO A 661 -0.079 5.855 4.468 1.00 0.00 N ATOM 588 CA PRO A 661 -1.355 5.953 3.710 1.00 0.00 C ATOM 589 C PRO A 661 -1.809 7.394 3.378 1.00 0.00 C ATOM 590 O PRO A 661 -2.854 7.600 2.797 1.00 0.00 O ATOM 591 CB PRO A 661 -2.345 5.269 4.647 1.00 0.00 C ATOM 592 CG PRO A 661 -1.777 5.480 6.000 1.00 0.00 C ATOM 593 CD PRO A 661 -0.302 5.351 5.827 1.00 0.00 C ATOM 0 HA PRO A 661 -1.263 5.500 2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 661 -3.340 5.705 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 661 -2.441 4.208 4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 661 -2.044 6.462 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 661 -2.157 4.742 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 661 0.243 5.936 6.568 1.00 0.00 H new ATOM 0 HD3 PRO A 661 0.027 4.317 5.932 1.00 0.00 H new ATOM 601 N ARG A 662 -1.009 8.364 3.762 1.00 0.00 N ATOM 602 CA ARG A 662 -1.291 9.753 3.475 1.00 0.00 C ATOM 603 C ARG A 662 -0.177 10.377 2.639 1.00 0.00 C ATOM 604 O ARG A 662 -0.252 11.535 2.213 1.00 0.00 O ATOM 605 CB ARG A 662 -1.514 10.516 4.759 1.00 0.00 C ATOM 606 CG ARG A 662 -0.383 10.441 5.734 1.00 0.00 C ATOM 607 CD ARG A 662 -0.802 11.082 7.006 1.00 0.00 C ATOM 608 NE ARG A 662 0.248 11.060 8.019 1.00 0.00 N ATOM 609 CZ ARG A 662 0.192 10.394 9.177 1.00 0.00 C ATOM 610 NH1 ARG A 662 -0.874 9.666 9.488 1.00 0.00 N ATOM 611 NH2 ARG A 662 1.210 10.454 10.011 1.00 0.00 N ATOM 0 H ARG A 662 -0.145 8.212 4.282 1.00 0.00 H new ATOM 0 HA ARG A 662 -2.206 9.808 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 662 -1.698 11.563 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 662 -2.416 10.137 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 662 -0.105 9.402 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 662 0.496 10.943 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 662 -1.091 12.115 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 662 -1.685 10.572 7.392 1.00 0.00 H new ATOM 0 HE ARG A 662 1.094 11.597 7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 662 -1.660 9.611 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 662 -0.906 9.162 10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 662 2.034 11.006 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 662 1.174 9.949 10.896 1.00 0.00 H new ATOM 625 N PHE A 663 0.853 9.603 2.418 1.00 0.00 N ATOM 626 CA PHE A 663 1.982 10.009 1.612 1.00 0.00 C ATOM 627 C PHE A 663 2.073 9.155 0.375 1.00 0.00 C ATOM 628 O PHE A 663 1.819 7.956 0.414 1.00 0.00 O ATOM 629 CB PHE A 663 3.302 9.954 2.387 1.00 0.00 C ATOM 630 CG PHE A 663 3.544 11.119 3.308 1.00 0.00 C ATOM 631 CD1 PHE A 663 2.862 11.242 4.500 1.00 0.00 C ATOM 632 CD2 PHE A 663 4.474 12.089 2.973 1.00 0.00 C ATOM 633 CE1 PHE A 663 3.096 12.308 5.342 1.00 0.00 C ATOM 634 CE2 PHE A 663 4.715 13.159 3.812 1.00 0.00 C ATOM 635 CZ PHE A 663 4.024 13.269 4.999 1.00 0.00 C ATOM 0 H PHE A 663 0.936 8.659 2.796 1.00 0.00 H new ATOM 0 HA PHE A 663 1.816 11.048 1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 663 3.325 9.035 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 663 4.124 9.897 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 663 2.135 10.493 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 663 5.018 12.008 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 663 2.552 12.391 6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 663 5.443 13.908 3.538 1.00 0.00 H new ATOM 0 HZ PHE A 663 4.208 14.104 5.658 1.00 0.00 H new ATOM 645 N LEU A 664 2.439 9.763 -0.699 1.00 0.00 N ATOM 646 CA LEU A 664 2.518 9.089 -1.950 1.00 0.00 C ATOM 647 C LEU A 664 3.921 8.696 -2.246 1.00 0.00 C ATOM 648 O LEU A 664 4.879 9.442 -1.931 1.00 0.00 O ATOM 649 CB LEU A 664 1.976 9.957 -3.081 1.00 0.00 C ATOM 650 CG LEU A 664 0.587 10.429 -2.920 1.00 0.00 C ATOM 651 CD1 LEU A 664 0.061 10.937 -4.247 1.00 0.00 C ATOM 652 CD2 LEU A 664 -0.282 9.353 -2.337 1.00 0.00 C ATOM 0 H LEU A 664 2.694 10.750 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 664 1.904 8.191 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 664 2.625 10.826 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 664 2.042 9.392 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 664 0.569 11.259 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -0.965 11.284 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 664 0.684 11.762 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 664 0.085 10.131 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -1.300 9.727 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -0.282 8.487 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 664 0.104 9.063 -1.360 1.00 0.00 H new ATOM 664 N MET A 665 4.050 7.526 -2.789 1.00 0.00 N ATOM 665 CA MET A 665 5.307 7.017 -3.225 1.00 0.00 C ATOM 666 C MET A 665 5.764 7.771 -4.448 1.00 0.00 C ATOM 667 O MET A 665 5.172 7.660 -5.532 1.00 0.00 O ATOM 668 CB MET A 665 5.212 5.536 -3.535 1.00 0.00 C ATOM 669 CG MET A 665 6.499 4.959 -4.077 1.00 0.00 C ATOM 670 SD MET A 665 7.862 5.021 -2.894 1.00 0.00 S ATOM 671 CE MET A 665 7.231 3.962 -1.594 1.00 0.00 C ATOM 0 H MET A 665 3.269 6.888 -2.943 1.00 0.00 H new ATOM 0 HA MET A 665 6.033 7.152 -2.423 1.00 0.00 H new ATOM 0 HB2 MET A 665 4.933 4.999 -2.629 1.00 0.00 H new ATOM 0 HB3 MET A 665 4.414 5.373 -4.260 1.00 0.00 H new ATOM 0 HG2 MET A 665 6.329 3.923 -4.372 1.00 0.00 H new ATOM 0 HG3 MET A 665 6.783 5.504 -4.977 1.00 0.00 H new ATOM 0 HE1 MET A 665 7.962 3.900 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 665 6.300 4.376 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 665 7.047 2.965 -1.994 1.00 0.00 H new ATOM 681 N LYS A 666 6.772 8.552 -4.272 1.00 0.00 N ATOM 682 CA LYS A 666 7.307 9.324 -5.348 1.00 0.00 C ATOM 683 C LYS A 666 8.488 8.590 -5.964 1.00 0.00 C ATOM 684 O LYS A 666 8.707 8.634 -7.172 1.00 0.00 O ATOM 685 CB LYS A 666 7.732 10.682 -4.823 1.00 0.00 C ATOM 686 CG LYS A 666 8.271 11.615 -5.871 1.00 0.00 C ATOM 687 CD LYS A 666 8.753 12.892 -5.245 1.00 0.00 C ATOM 688 CE LYS A 666 9.262 13.862 -6.290 1.00 0.00 C ATOM 689 NZ LYS A 666 10.403 13.311 -7.046 1.00 0.00 N ATOM 0 H LYS A 666 7.251 8.676 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 666 6.550 9.466 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 666 6.877 11.154 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 666 8.493 10.539 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 666 9.090 11.135 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 666 7.495 11.834 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 666 7.940 13.353 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 666 9.548 12.672 -4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 666 8.455 14.108 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 666 9.562 14.791 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 10.849 14.068 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 11.099 12.913 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 10.067 12.563 -7.686 1.00 0.00 H new ATOM 703 N GLY A 667 9.226 7.894 -5.118 1.00 0.00 N ATOM 704 CA GLY A 667 10.406 7.167 -5.568 1.00 0.00 C ATOM 705 C GLY A 667 10.088 5.842 -6.279 1.00 0.00 C ATOM 706 O GLY A 667 8.917 5.510 -6.492 1.00 0.00 O ATOM 0 H GLY A 667 9.033 7.815 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 667 10.976 7.803 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 667 11.044 6.963 -4.708 1.00 0.00 H new ATOM 710 N PRO A 668 11.125 5.030 -6.602 1.00 0.00 N ATOM 711 CA PRO A 668 10.966 3.769 -7.366 1.00 0.00 C ATOM 712 C PRO A 668 10.386 2.620 -6.532 1.00 0.00 C ATOM 713 O PRO A 668 10.164 1.530 -7.046 1.00 0.00 O ATOM 714 CB PRO A 668 12.407 3.440 -7.773 1.00 0.00 C ATOM 715 CG PRO A 668 13.239 4.014 -6.681 1.00 0.00 C ATOM 716 CD PRO A 668 12.551 5.285 -6.273 1.00 0.00 C ATOM 0 HA PRO A 668 10.268 3.887 -8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 668 12.558 2.364 -7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 668 12.658 3.881 -8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 668 13.315 3.323 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 668 14.255 4.211 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 668 12.687 5.492 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 668 12.941 6.145 -6.818 1.00 0.00 H new ATOM 724 N ASN A 669 10.207 2.884 -5.232 1.00 0.00 N ATOM 725 CA ASN A 669 9.643 1.966 -4.185 1.00 0.00 C ATOM 726 C ASN A 669 10.293 0.580 -4.090 1.00 0.00 C ATOM 727 O ASN A 669 9.863 -0.242 -3.301 1.00 0.00 O ATOM 728 CB ASN A 669 8.103 1.841 -4.240 1.00 0.00 C ATOM 729 CG ASN A 669 7.549 1.027 -5.387 1.00 0.00 C ATOM 730 OD1 ASN A 669 7.321 -0.228 -5.133 1.00 0.00 O flip ATOM 731 ND2 ASN A 669 7.285 1.547 -6.475 1.00 0.00 N flip ATOM 0 H ASN A 669 10.460 3.791 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 669 9.914 2.480 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 669 7.760 1.397 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 669 7.678 2.843 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 669 7.482 2.536 -6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 669 6.870 0.988 -7.220 1.00 0.00 H new ATOM 738 N LYS A 670 11.308 0.346 -4.853 1.00 0.00 N ATOM 739 CA LYS A 670 12.022 -0.896 -4.861 1.00 0.00 C ATOM 740 C LYS A 670 13.466 -0.615 -4.928 1.00 0.00 C ATOM 741 O LYS A 670 13.896 0.288 -5.656 1.00 0.00 O ATOM 742 CB LYS A 670 11.609 -1.765 -6.042 1.00 0.00 C ATOM 743 CG LYS A 670 10.307 -2.506 -5.849 1.00 0.00 C ATOM 744 CD LYS A 670 9.873 -3.154 -7.142 1.00 0.00 C ATOM 745 CE LYS A 670 8.671 -4.042 -6.942 1.00 0.00 C ATOM 746 NZ LYS A 670 8.135 -4.541 -8.223 1.00 0.00 N ATOM 0 H LYS A 670 11.678 1.032 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 670 11.786 -1.442 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 670 11.527 -1.136 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 670 12.399 -2.490 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 670 10.425 -3.265 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 670 9.537 -1.816 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 670 9.638 -2.383 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 670 10.696 -3.741 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 670 8.945 -4.887 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 670 7.894 -3.488 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 670 7.310 -5.147 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 670 7.849 -3.736 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 670 8.867 -5.092 -8.715 1.00 0.00 H new ATOM 760 N ILE A 671 14.204 -1.333 -4.157 1.00 0.00 N ATOM 761 CA ILE A 671 15.621 -1.198 -4.117 1.00 0.00 C ATOM 762 C ILE A 671 16.225 -2.555 -4.280 1.00 0.00 C ATOM 763 O ILE A 671 15.537 -3.555 -4.130 1.00 0.00 O ATOM 764 CB ILE A 671 16.131 -0.556 -2.802 1.00 0.00 C ATOM 765 CG1 ILE A 671 15.777 -1.420 -1.592 1.00 0.00 C ATOM 766 CG2 ILE A 671 15.551 0.833 -2.643 1.00 0.00 C ATOM 767 CD1 ILE A 671 16.341 -0.895 -0.296 1.00 0.00 C ATOM 0 H ILE A 671 13.836 -2.044 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 671 15.918 -0.529 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 671 17.217 -0.485 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 671 14.692 -1.486 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 671 16.146 -2.432 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 671 15.915 1.276 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 671 15.856 1.453 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 671 14.463 0.772 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 671 16.052 -1.556 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 671 17.428 -0.855 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 671 15.952 0.106 -0.109 1.00 0.00 H new ATOM 779 N GLN A 672 17.478 -2.587 -4.539 1.00 0.00 N ATOM 780 CA GLN A 672 18.189 -3.789 -4.798 1.00 0.00 C ATOM 781 C GLN A 672 19.504 -3.751 -4.083 1.00 0.00 C ATOM 782 O GLN A 672 20.132 -2.704 -3.995 1.00 0.00 O ATOM 783 CB GLN A 672 18.397 -3.979 -6.310 1.00 0.00 C ATOM 784 CG GLN A 672 19.388 -5.064 -6.650 1.00 0.00 C ATOM 785 CD GLN A 672 19.566 -5.297 -8.121 1.00 0.00 C ATOM 786 OE1 GLN A 672 20.395 -4.653 -8.765 1.00 0.00 O ATOM 787 NE2 GLN A 672 18.837 -6.233 -8.659 1.00 0.00 N ATOM 0 H GLN A 672 18.060 -1.751 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 672 17.608 -4.636 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 672 17.439 -4.215 -6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 672 18.738 -3.038 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 672 20.354 -4.807 -6.215 1.00 0.00 H new ATOM 0 HG3 GLN A 672 19.065 -5.994 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 672 18.161 -6.743 -8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 672 18.942 -6.456 -9.649 1.00 0.00 H new ATOM 796 N CYS A 673 19.885 -4.858 -3.532 1.00 0.00 N ATOM 797 CA CYS A 673 21.156 -4.957 -2.873 1.00 0.00 C ATOM 798 C CYS A 673 22.210 -5.275 -3.916 1.00 0.00 C ATOM 799 O CYS A 673 22.234 -6.379 -4.496 1.00 0.00 O ATOM 800 CB CYS A 673 21.122 -6.036 -1.791 1.00 0.00 C ATOM 801 SG CYS A 673 22.609 -6.109 -0.734 1.00 0.00 S ATOM 0 H CYS A 673 19.332 -5.715 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 673 21.393 -4.013 -2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 673 20.251 -5.868 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 673 20.986 -7.006 -2.269 1.00 0.00 H new ATOM 806 N VAL A 674 23.036 -4.312 -4.216 1.00 0.00 N ATOM 807 CA VAL A 674 24.071 -4.528 -5.205 1.00 0.00 C ATOM 808 C VAL A 674 25.373 -4.935 -4.524 1.00 0.00 C ATOM 809 O VAL A 674 25.376 -5.311 -3.352 1.00 0.00 O ATOM 810 CB VAL A 674 24.280 -3.312 -6.163 1.00 0.00 C ATOM 811 CG1 VAL A 674 23.011 -3.020 -6.940 1.00 0.00 C ATOM 812 CG2 VAL A 674 24.752 -2.070 -5.426 1.00 0.00 C ATOM 0 H VAL A 674 23.020 -3.381 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 674 23.734 -5.345 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 674 25.068 -3.589 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 674 23.177 -2.170 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 674 22.738 -3.893 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 674 22.204 -2.787 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 674 24.882 -1.253 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 674 24.011 -1.787 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 674 25.702 -2.278 -4.934 1.00 0.00 H new ATOM 822 N ASP A 675 26.463 -4.909 -5.248 1.00 0.00 N ATOM 823 CA ASP A 675 27.776 -5.294 -4.713 1.00 0.00 C ATOM 824 C ASP A 675 28.409 -4.180 -3.880 1.00 0.00 C ATOM 825 O ASP A 675 29.501 -3.709 -4.154 1.00 0.00 O ATOM 826 CB ASP A 675 28.722 -5.731 -5.835 1.00 0.00 C ATOM 827 CG ASP A 675 28.895 -4.712 -6.949 1.00 0.00 C ATOM 828 OD1 ASP A 675 28.005 -4.626 -7.822 1.00 0.00 O ATOM 829 OD2 ASP A 675 29.921 -4.020 -7.000 1.00 0.00 O ATOM 0 H ASP A 675 26.482 -4.623 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 675 27.610 -6.143 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 675 29.699 -5.948 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 675 28.349 -6.661 -6.265 1.00 0.00 H new ATOM 834 N GLY A 676 27.712 -3.784 -2.855 1.00 0.00 N ATOM 835 CA GLY A 676 28.268 -2.879 -1.920 1.00 0.00 C ATOM 836 C GLY A 676 27.233 -2.287 -1.013 1.00 0.00 C ATOM 837 O GLY A 676 27.463 -2.122 0.187 1.00 0.00 O ATOM 0 H GLY A 676 26.757 -4.080 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 676 29.019 -3.395 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 676 28.780 -2.078 -2.454 1.00 0.00 H new ATOM 841 N GLU A 677 26.083 -1.998 -1.560 1.00 0.00 N ATOM 842 CA GLU A 677 25.012 -1.380 -0.801 1.00 0.00 C ATOM 843 C GLU A 677 23.687 -1.587 -1.505 1.00 0.00 C ATOM 844 O GLU A 677 23.629 -2.241 -2.541 1.00 0.00 O ATOM 845 CB GLU A 677 25.289 0.124 -0.650 1.00 0.00 C ATOM 846 CG GLU A 677 25.428 0.874 -1.970 1.00 0.00 C ATOM 847 CD GLU A 677 25.769 2.327 -1.774 1.00 0.00 C ATOM 848 OE1 GLU A 677 24.850 3.147 -1.587 1.00 0.00 O ATOM 849 OE2 GLU A 677 26.957 2.678 -1.807 1.00 0.00 O ATOM 0 H GLU A 677 25.856 -2.180 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 677 24.964 -1.841 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 677 24.481 0.574 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 677 26.204 0.256 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 677 26.202 0.401 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 677 24.496 0.795 -2.529 1.00 0.00 H new ATOM 856 N TRP A 678 22.646 -1.054 -0.941 1.00 0.00 N ATOM 857 CA TRP A 678 21.346 -1.058 -1.558 1.00 0.00 C ATOM 858 C TRP A 678 21.257 0.140 -2.488 1.00 0.00 C ATOM 859 O TRP A 678 21.983 1.117 -2.304 1.00 0.00 O ATOM 860 CB TRP A 678 20.258 -0.966 -0.506 1.00 0.00 C ATOM 861 CG TRP A 678 20.117 -2.172 0.369 1.00 0.00 C ATOM 862 CD1 TRP A 678 20.748 -2.430 1.555 1.00 0.00 C ATOM 863 CD2 TRP A 678 19.267 -3.277 0.120 1.00 0.00 C ATOM 864 NE1 TRP A 678 20.324 -3.639 2.052 1.00 0.00 N ATOM 865 CE2 TRP A 678 19.415 -4.181 1.180 1.00 0.00 C ATOM 866 CE3 TRP A 678 18.395 -3.582 -0.907 1.00 0.00 C ATOM 867 CZ2 TRP A 678 18.709 -5.380 1.232 1.00 0.00 C ATOM 868 CZ3 TRP A 678 17.702 -4.749 -0.871 1.00 0.00 C ATOM 869 CH2 TRP A 678 17.856 -5.649 0.193 1.00 0.00 C ATOM 0 H TRP A 678 22.671 -0.598 -0.029 1.00 0.00 H new ATOM 0 HA TRP A 678 21.207 -1.985 -2.114 1.00 0.00 H new ATOM 0 HB2 TRP A 678 20.457 -0.100 0.125 1.00 0.00 H new ATOM 0 HB3 TRP A 678 19.306 -0.785 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 678 21.470 -1.782 2.029 1.00 0.00 H new ATOM 0 HE1 TRP A 678 20.634 -4.063 2.926 1.00 0.00 H new ATOM 0 HE3 TRP A 678 18.265 -2.897 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 18.828 -6.069 2.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 17.021 -4.988 -1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 678 17.293 -6.570 0.194 1.00 0.00 H new ATOM 880 N THR A 679 20.374 0.087 -3.440 1.00 0.00 N ATOM 881 CA THR A 679 20.243 1.132 -4.439 1.00 0.00 C ATOM 882 C THR A 679 19.518 2.386 -3.901 1.00 0.00 C ATOM 883 O THR A 679 19.242 2.479 -2.696 1.00 0.00 O ATOM 884 CB THR A 679 19.550 0.570 -5.693 1.00 0.00 C ATOM 885 OG1 THR A 679 18.305 -0.048 -5.326 1.00 0.00 O ATOM 886 CG2 THR A 679 20.429 -0.462 -6.375 1.00 0.00 C ATOM 0 H THR A 679 19.715 -0.683 -3.555 1.00 0.00 H new ATOM 0 HA THR A 679 21.246 1.463 -4.707 1.00 0.00 H new ATOM 0 HB THR A 679 19.369 1.396 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 679 17.867 -0.403 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 679 19.920 -0.846 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 679 21.371 0.001 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 679 20.629 -1.283 -5.686 1.00 0.00 H new ATOM 894 N THR A 680 19.259 3.351 -4.784 1.00 0.00 N ATOM 895 CA THR A 680 18.606 4.593 -4.425 1.00 0.00 C ATOM 896 C THR A 680 17.211 4.342 -3.846 1.00 0.00 C ATOM 897 O THR A 680 16.311 3.815 -4.533 1.00 0.00 O ATOM 898 CB THR A 680 18.484 5.513 -5.654 1.00 0.00 C ATOM 899 OG1 THR A 680 19.783 5.706 -6.251 1.00 0.00 O ATOM 900 CG2 THR A 680 17.898 6.871 -5.264 1.00 0.00 C ATOM 0 H THR A 680 19.501 3.284 -5.773 1.00 0.00 H new ATOM 0 HA THR A 680 19.220 5.076 -3.665 1.00 0.00 H new ATOM 0 HB THR A 680 17.815 5.037 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 680 19.700 6.290 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 680 17.822 7.502 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 680 16.907 6.729 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 680 18.547 7.350 -4.531 1.00 0.00 H new ATOM 908 N LEU A 681 17.053 4.672 -2.594 1.00 0.00 N ATOM 909 CA LEU A 681 15.779 4.557 -1.948 1.00 0.00 C ATOM 910 C LEU A 681 14.785 5.611 -2.383 1.00 0.00 C ATOM 911 O LEU A 681 15.155 6.727 -2.796 1.00 0.00 O ATOM 912 CB LEU A 681 15.865 4.541 -0.427 1.00 0.00 C ATOM 913 CG LEU A 681 16.198 3.215 0.205 1.00 0.00 C ATOM 914 CD1 LEU A 681 17.692 2.967 0.246 1.00 0.00 C ATOM 915 CD2 LEU A 681 15.550 3.126 1.565 1.00 0.00 C ATOM 0 H LEU A 681 17.800 5.026 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 681 15.413 3.585 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 681 16.618 5.267 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 681 14.910 4.882 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 681 15.790 2.415 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 681 17.888 2.000 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 681 18.089 2.970 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 681 18.175 3.752 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 681 15.792 2.166 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 681 15.921 3.932 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 681 14.469 3.215 1.459 1.00 0.00 H new ATOM 927 N PRO A 682 13.502 5.255 -2.326 1.00 0.00 N ATOM 928 CA PRO A 682 12.403 6.163 -2.599 1.00 0.00 C ATOM 929 C PRO A 682 12.173 7.128 -1.517 1.00 0.00 C ATOM 930 O PRO A 682 12.844 7.147 -0.480 1.00 0.00 O ATOM 931 CB PRO A 682 11.215 5.234 -2.756 1.00 0.00 C ATOM 932 CG PRO A 682 11.535 4.085 -1.874 1.00 0.00 C ATOM 933 CD PRO A 682 13.007 3.887 -2.008 1.00 0.00 C ATOM 0 HA PRO A 682 12.598 6.782 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 682 10.287 5.720 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 682 11.090 4.919 -3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 682 11.258 4.293 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 682 10.988 3.192 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 682 13.448 3.502 -1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 682 13.248 3.177 -2.799 1.00 0.00 H new ATOM 941 N VAL A 683 11.232 7.936 -1.785 1.00 0.00 N ATOM 942 CA VAL A 683 10.875 8.988 -1.001 1.00 0.00 C ATOM 943 C VAL A 683 9.359 9.046 -0.987 1.00 0.00 C ATOM 944 O VAL A 683 8.699 8.452 -1.867 1.00 0.00 O ATOM 945 CB VAL A 683 11.425 10.282 -1.614 1.00 0.00 C ATOM 946 CG1 VAL A 683 12.945 10.322 -1.709 1.00 0.00 C ATOM 947 CG2 VAL A 683 10.764 10.643 -2.923 1.00 0.00 C ATOM 0 H VAL A 683 10.662 7.853 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 683 11.270 8.875 0.009 1.00 0.00 H new ATOM 0 HB VAL A 683 11.154 11.061 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 683 13.257 11.268 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 683 13.374 10.230 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 683 13.292 9.497 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 683 11.196 11.567 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 683 10.924 9.842 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 683 9.694 10.781 -2.765 1.00 0.00 H new ATOM 957 N CYS A 684 8.825 9.750 -0.052 1.00 0.00 N ATOM 958 CA CYS A 684 7.401 9.883 0.079 1.00 0.00 C ATOM 959 C CYS A 684 7.056 11.356 0.186 1.00 0.00 C ATOM 960 O CYS A 684 7.802 12.114 0.810 1.00 0.00 O ATOM 961 CB CYS A 684 6.949 9.191 1.344 1.00 0.00 C ATOM 962 SG CYS A 684 7.297 7.410 1.459 1.00 0.00 S ATOM 0 H CYS A 684 9.360 10.257 0.653 1.00 0.00 H new ATOM 0 HA CYS A 684 6.909 9.438 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 684 7.421 9.687 2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 684 5.874 9.337 1.448 1.00 0.00 H new ATOM 967 N ILE A 685 5.963 11.757 -0.414 1.00 0.00 N ATOM 968 CA ILE A 685 5.494 13.136 -0.368 1.00 0.00 C ATOM 969 C ILE A 685 4.004 13.144 -0.086 1.00 0.00 C ATOM 970 O ILE A 685 3.304 12.218 -0.454 1.00 0.00 O ATOM 971 CB ILE A 685 5.749 13.875 -1.692 1.00 0.00 C ATOM 972 CG1 ILE A 685 5.172 13.071 -2.861 1.00 0.00 C ATOM 973 CG2 ILE A 685 7.238 14.168 -1.889 1.00 0.00 C ATOM 974 CD1 ILE A 685 5.269 13.769 -4.172 1.00 0.00 C ATOM 0 H ILE A 685 5.362 11.136 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 685 6.046 13.649 0.420 1.00 0.00 H new ATOM 0 HB ILE A 685 5.240 14.838 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 685 5.695 12.117 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 685 4.125 12.847 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 685 7.384 14.691 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 685 7.598 14.791 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 685 7.794 13.231 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 685 4.841 13.139 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 685 4.722 14.710 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 685 6.316 13.969 -4.401 1.00 0.00 H new ATOM 986 N VAL A 686 3.524 14.141 0.581 1.00 0.00 N ATOM 987 CA VAL A 686 2.121 14.198 0.914 1.00 0.00 C ATOM 988 C VAL A 686 1.315 14.822 -0.192 1.00 0.00 C ATOM 989 O VAL A 686 1.528 15.970 -0.610 1.00 0.00 O ATOM 990 CB VAL A 686 1.841 14.852 2.309 1.00 0.00 C ATOM 991 CG1 VAL A 686 2.316 16.282 2.368 1.00 0.00 C ATOM 992 CG2 VAL A 686 0.369 14.754 2.697 1.00 0.00 C ATOM 0 H VAL A 686 4.075 14.933 0.911 1.00 0.00 H new ATOM 0 HA VAL A 686 1.786 13.165 1.012 1.00 0.00 H new ATOM 0 HB VAL A 686 2.417 14.282 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 686 2.102 16.696 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 686 3.390 16.316 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 686 1.800 16.868 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 686 0.218 15.219 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -0.239 15.267 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 686 0.075 13.706 2.746 1.00 0.00 H new ATOM 1043 N THR A 690 -7.990 13.649 0.018 1.00 0.00 N ATOM 1044 CA THR A 690 -8.701 12.550 0.616 1.00 0.00 C ATOM 1045 C THR A 690 -9.798 12.009 -0.320 1.00 0.00 C ATOM 1046 O THR A 690 -10.224 12.696 -1.248 1.00 0.00 O ATOM 1047 CB THR A 690 -9.315 12.979 1.980 1.00 0.00 C ATOM 1048 OG1 THR A 690 -10.062 14.208 1.834 1.00 0.00 O ATOM 1049 CG2 THR A 690 -8.237 13.173 3.034 1.00 0.00 C ATOM 0 HA THR A 690 -7.985 11.746 0.787 1.00 0.00 H new ATOM 0 HB THR A 690 -9.983 12.180 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 690 -9.727 14.704 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 690 -8.698 13.472 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 690 -7.695 12.238 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 690 -7.544 13.948 2.707 1.00 0.00 H new ATOM 1057 N CYS A 691 -10.226 10.783 -0.082 1.00 0.00 N ATOM 1058 CA CYS A 691 -11.299 10.158 -0.861 1.00 0.00 C ATOM 1059 C CYS A 691 -12.678 10.509 -0.325 1.00 0.00 C ATOM 1060 O CYS A 691 -13.678 10.431 -1.050 1.00 0.00 O ATOM 1061 CB CYS A 691 -11.131 8.628 -0.926 1.00 0.00 C ATOM 1062 SG CYS A 691 -10.229 8.029 -2.384 1.00 0.00 S ATOM 0 H CYS A 691 -9.846 10.187 0.653 1.00 0.00 H new ATOM 0 HA CYS A 691 -11.220 10.561 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 691 -10.609 8.294 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 691 -12.118 8.166 -0.910 1.00 0.00 H new ATOM 1067 N GLY A 692 -12.739 10.907 0.917 1.00 0.00 N ATOM 1068 CA GLY A 692 -14.008 11.205 1.527 1.00 0.00 C ATOM 1069 C GLY A 692 -14.344 10.177 2.569 1.00 0.00 C ATOM 1070 O GLY A 692 -14.161 10.414 3.761 1.00 0.00 O ATOM 0 H GLY A 692 -11.929 11.032 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -13.976 12.195 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -14.788 11.228 0.766 1.00 0.00 H new ATOM 1074 N ASP A 693 -14.817 9.030 2.127 1.00 0.00 N ATOM 1075 CA ASP A 693 -15.130 7.926 3.016 1.00 0.00 C ATOM 1076 C ASP A 693 -15.223 6.669 2.166 1.00 0.00 C ATOM 1077 O ASP A 693 -14.775 6.656 1.007 1.00 0.00 O ATOM 1078 CB ASP A 693 -16.470 8.174 3.768 1.00 0.00 C ATOM 1079 CG ASP A 693 -16.564 7.477 5.140 1.00 0.00 C ATOM 1080 OD1 ASP A 693 -16.231 6.278 5.263 1.00 0.00 O ATOM 1081 OD2 ASP A 693 -16.935 8.148 6.138 1.00 0.00 O ATOM 0 H ASP A 693 -14.996 8.835 1.142 1.00 0.00 H new ATOM 0 HA ASP A 693 -14.353 7.824 3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 693 -16.601 9.247 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 693 -17.294 7.831 3.142 1.00 0.00 H new ATOM 1086 N ILE A 694 -15.725 5.641 2.745 1.00 0.00 N ATOM 1087 CA ILE A 694 -15.964 4.394 2.124 1.00 0.00 C ATOM 1088 C ILE A 694 -17.211 4.440 1.277 1.00 0.00 C ATOM 1089 O ILE A 694 -18.262 4.940 1.704 1.00 0.00 O ATOM 1090 CB ILE A 694 -16.015 3.310 3.223 1.00 0.00 C ATOM 1091 CG1 ILE A 694 -14.607 2.865 3.489 1.00 0.00 C ATOM 1092 CG2 ILE A 694 -16.938 2.132 2.908 1.00 0.00 C ATOM 1093 CD1 ILE A 694 -14.314 2.566 4.911 1.00 0.00 C ATOM 0 H ILE A 694 -15.997 5.650 3.728 1.00 0.00 H new ATOM 0 HA ILE A 694 -15.156 4.147 1.435 1.00 0.00 H new ATOM 0 HB ILE A 694 -16.459 3.750 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 694 -14.403 1.975 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 694 -13.923 3.641 3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 694 -16.913 1.419 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 694 -17.957 2.494 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 694 -16.603 1.641 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 694 -13.275 2.252 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 694 -14.482 3.459 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 694 -14.969 1.766 5.257 1.00 0.00 H new ATOM 1105 N PRO A 695 -17.086 3.941 0.058 1.00 0.00 N ATOM 1106 CA PRO A 695 -18.167 3.902 -0.900 1.00 0.00 C ATOM 1107 C PRO A 695 -19.203 2.848 -0.533 1.00 0.00 C ATOM 1108 O PRO A 695 -19.179 2.252 0.555 1.00 0.00 O ATOM 1109 CB PRO A 695 -17.466 3.500 -2.200 1.00 0.00 C ATOM 1110 CG PRO A 695 -16.295 2.708 -1.747 1.00 0.00 C ATOM 1111 CD PRO A 695 -15.853 3.346 -0.473 1.00 0.00 C ATOM 0 HA PRO A 695 -18.704 4.849 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 695 -18.122 2.911 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 695 -17.159 4.374 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 695 -16.564 1.663 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 695 -15.499 2.724 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 695 -15.431 2.615 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 695 -15.086 4.100 -0.647 1.00 0.00 H new ATOM 1119 N GLU A 696 -20.067 2.601 -1.433 1.00 0.00 N ATOM 1120 CA GLU A 696 -21.097 1.670 -1.229 1.00 0.00 C ATOM 1121 C GLU A 696 -20.884 0.529 -2.196 1.00 0.00 C ATOM 1122 O GLU A 696 -20.534 0.753 -3.358 1.00 0.00 O ATOM 1123 CB GLU A 696 -22.421 2.355 -1.470 1.00 0.00 C ATOM 1124 CG GLU A 696 -23.636 1.551 -1.104 1.00 0.00 C ATOM 1125 CD GLU A 696 -24.878 2.312 -1.406 1.00 0.00 C ATOM 1126 OE1 GLU A 696 -25.350 3.086 -0.546 1.00 0.00 O ATOM 1127 OE2 GLU A 696 -25.384 2.194 -2.540 1.00 0.00 O ATOM 0 H GLU A 696 -20.079 3.048 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 696 -21.095 1.280 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 696 -22.438 3.286 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 696 -22.487 2.622 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 696 -23.636 0.611 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 696 -23.606 1.299 -0.044 1.00 0.00 H new ATOM 1134 N LEU A 697 -21.031 -0.666 -1.723 1.00 0.00 N ATOM 1135 CA LEU A 697 -20.873 -1.823 -2.553 1.00 0.00 C ATOM 1136 C LEU A 697 -22.219 -2.512 -2.599 1.00 0.00 C ATOM 1137 O LEU A 697 -22.934 -2.481 -1.601 1.00 0.00 O ATOM 1138 CB LEU A 697 -19.791 -2.748 -1.968 1.00 0.00 C ATOM 1139 CG LEU A 697 -19.319 -3.894 -2.860 1.00 0.00 C ATOM 1140 CD1 LEU A 697 -18.736 -3.336 -4.137 1.00 0.00 C ATOM 1141 CD2 LEU A 697 -18.276 -4.750 -2.146 1.00 0.00 C ATOM 0 H LEU A 697 -21.264 -0.871 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 697 -20.551 -1.553 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -18.925 -2.139 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -20.171 -3.173 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 697 -20.177 -4.525 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -18.400 -4.156 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -19.497 -2.758 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -17.890 -2.691 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -17.957 -5.559 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -17.416 -4.133 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -18.709 -5.170 -1.238 1.00 0.00 H new ATOM 1153 N GLU A 698 -22.562 -3.113 -3.741 1.00 0.00 N ATOM 1154 CA GLU A 698 -23.881 -3.741 -3.974 1.00 0.00 C ATOM 1155 C GLU A 698 -24.354 -4.613 -2.804 1.00 0.00 C ATOM 1156 O GLU A 698 -25.504 -4.543 -2.388 1.00 0.00 O ATOM 1157 CB GLU A 698 -23.877 -4.587 -5.258 1.00 0.00 C ATOM 1158 CG GLU A 698 -22.935 -5.787 -5.222 1.00 0.00 C ATOM 1159 CD GLU A 698 -23.139 -6.717 -6.384 1.00 0.00 C ATOM 1160 OE1 GLU A 698 -24.011 -7.579 -6.281 1.00 0.00 O ATOM 1161 OE2 GLU A 698 -22.441 -6.596 -7.408 1.00 0.00 O ATOM 0 H GLU A 698 -21.933 -3.182 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 698 -24.581 -2.912 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 698 -24.890 -4.942 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 698 -23.601 -3.949 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 698 -21.904 -5.435 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 698 -23.086 -6.335 -4.292 1.00 0.00 H new ATOM 1168 N HIS A 699 -23.457 -5.431 -2.289 1.00 0.00 N ATOM 1169 CA HIS A 699 -23.773 -6.358 -1.231 1.00 0.00 C ATOM 1170 C HIS A 699 -22.588 -6.452 -0.283 1.00 0.00 C ATOM 1171 O HIS A 699 -22.380 -7.462 0.401 1.00 0.00 O ATOM 1172 CB HIS A 699 -24.144 -7.743 -1.819 1.00 0.00 C ATOM 1173 CG HIS A 699 -25.427 -7.754 -2.616 1.00 0.00 C ATOM 1174 ND1 HIS A 699 -25.490 -7.950 -3.994 1.00 0.00 N ATOM 1175 CD2 HIS A 699 -26.705 -7.593 -2.210 1.00 0.00 C ATOM 1176 CE1 HIS A 699 -26.749 -7.908 -4.374 1.00 0.00 C ATOM 1177 NE2 HIS A 699 -27.500 -7.692 -3.311 1.00 0.00 N ATOM 0 H HIS A 699 -22.485 -5.468 -2.597 1.00 0.00 H new ATOM 0 HA HIS A 699 -24.639 -6.002 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 699 -23.330 -8.084 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 699 -24.230 -8.460 -1.003 1.00 0.00 H new ATOM 0 HD1 HIS A 699 -24.690 -8.101 -4.608 1.00 0.00 H new ATOM 0 HD2 HIS A 699 -27.036 -7.418 -1.197 1.00 0.00 H new ATOM 0 HE1 HIS A 699 -27.107 -8.030 -5.386 1.00 0.00 H new ATOM 1186 N GLY A 700 -21.839 -5.372 -0.241 1.00 0.00 N ATOM 1187 CA GLY A 700 -20.655 -5.290 0.568 1.00 0.00 C ATOM 1188 C GLY A 700 -20.566 -3.966 1.304 1.00 0.00 C ATOM 1189 O GLY A 700 -21.303 -3.026 1.000 1.00 0.00 O ATOM 0 H GLY A 700 -22.040 -4.525 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 700 -20.650 -6.108 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 700 -19.775 -5.415 -0.062 1.00 0.00 H new ATOM 1193 N TRP A 701 -19.661 -3.901 2.232 1.00 0.00 N ATOM 1194 CA TRP A 701 -19.427 -2.806 3.102 1.00 0.00 C ATOM 1195 C TRP A 701 -18.001 -2.936 3.542 1.00 0.00 C ATOM 1196 O TRP A 701 -17.225 -3.538 2.833 1.00 0.00 O ATOM 1197 CB TRP A 701 -20.425 -2.813 4.278 1.00 0.00 C ATOM 1198 CG TRP A 701 -20.792 -4.182 4.785 1.00 0.00 C ATOM 1199 CD1 TRP A 701 -21.791 -4.962 4.313 1.00 0.00 C ATOM 1200 CD2 TRP A 701 -20.181 -4.912 5.841 1.00 0.00 C ATOM 1201 NE1 TRP A 701 -21.841 -6.148 4.991 1.00 0.00 N ATOM 1202 CE2 TRP A 701 -20.862 -6.140 5.951 1.00 0.00 C ATOM 1203 CE3 TRP A 701 -19.130 -4.645 6.697 1.00 0.00 C ATOM 1204 CZ2 TRP A 701 -20.512 -7.097 6.897 1.00 0.00 C ATOM 1205 CZ3 TRP A 701 -18.777 -5.583 7.634 1.00 0.00 C ATOM 1206 CH2 TRP A 701 -19.466 -6.800 7.733 1.00 0.00 C ATOM 0 H TRP A 701 -19.021 -4.676 2.408 1.00 0.00 H new ATOM 0 HA TRP A 701 -19.583 -1.846 2.610 1.00 0.00 H new ATOM 0 HB2 TRP A 701 -20.000 -2.238 5.101 1.00 0.00 H new ATOM 0 HB3 TRP A 701 -21.335 -2.300 3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 701 -22.458 -4.686 3.510 1.00 0.00 H new ATOM 0 HE1 TRP A 701 -22.496 -6.910 4.813 1.00 0.00 H new ATOM 0 HE3 TRP A 701 -18.593 -3.710 6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 701 -21.042 -8.035 6.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 701 -17.956 -5.381 8.306 1.00 0.00 H new ATOM 0 HH2 TRP A 701 -19.167 -7.518 8.482 1.00 0.00 H new ATOM 1217 N ALA A 702 -17.652 -2.477 4.684 1.00 0.00 N ATOM 1218 CA ALA A 702 -16.259 -2.385 4.996 1.00 0.00 C ATOM 1219 C ALA A 702 -15.929 -2.878 6.386 1.00 0.00 C ATOM 1220 O ALA A 702 -16.711 -2.705 7.313 1.00 0.00 O ATOM 1221 CB ALA A 702 -15.851 -0.955 4.820 1.00 0.00 C ATOM 0 H ALA A 702 -18.291 -2.161 5.414 1.00 0.00 H new ATOM 0 HA ALA A 702 -15.702 -3.036 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 702 -14.791 -0.848 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 702 -16.031 -0.650 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 702 -16.434 -0.325 5.492 1.00 0.00 H new ATOM 1227 N GLN A 703 -14.763 -3.499 6.515 1.00 0.00 N ATOM 1228 CA GLN A 703 -14.290 -3.982 7.807 1.00 0.00 C ATOM 1229 C GLN A 703 -13.626 -2.852 8.548 1.00 0.00 C ATOM 1230 O GLN A 703 -14.049 -2.456 9.631 1.00 0.00 O ATOM 1231 CB GLN A 703 -13.283 -5.154 7.687 1.00 0.00 C ATOM 1232 CG GLN A 703 -13.873 -6.508 7.315 1.00 0.00 C ATOM 1233 CD GLN A 703 -13.518 -6.996 5.916 1.00 0.00 C ATOM 1234 OE1 GLN A 703 -13.313 -6.100 4.997 1.00 0.00 O flip ATOM 1235 NE2 GLN A 703 -13.425 -8.196 5.678 1.00 0.00 N flip ATOM 0 H GLN A 703 -14.126 -3.680 5.739 1.00 0.00 H new ATOM 0 HA GLN A 703 -15.163 -4.353 8.344 1.00 0.00 H new ATOM 0 HB2 GLN A 703 -12.535 -4.889 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 703 -12.761 -5.257 8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 703 -13.534 -7.248 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 703 -14.958 -6.452 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 703 -13.591 -8.877 6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 703 -13.181 -8.512 4.739 1.00 0.00 H new ATOM 1244 N LEU A 704 -12.603 -2.320 7.951 1.00 0.00 N ATOM 1245 CA LEU A 704 -11.857 -1.262 8.550 1.00 0.00 C ATOM 1246 C LEU A 704 -11.972 -0.009 7.730 1.00 0.00 C ATOM 1247 O LEU A 704 -11.982 -0.058 6.489 1.00 0.00 O ATOM 1248 CB LEU A 704 -10.381 -1.687 8.812 1.00 0.00 C ATOM 1249 CG LEU A 704 -9.543 -2.233 7.622 1.00 0.00 C ATOM 1250 CD1 LEU A 704 -9.058 -1.133 6.682 1.00 0.00 C ATOM 1251 CD2 LEU A 704 -8.376 -3.053 8.130 1.00 0.00 C ATOM 0 H LEU A 704 -12.264 -2.609 7.034 1.00 0.00 H new ATOM 0 HA LEU A 704 -12.283 -1.041 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 704 -9.855 -0.824 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 704 -10.389 -2.451 9.589 1.00 0.00 H new ATOM 0 HG LEU A 704 -10.205 -2.872 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 704 -8.479 -1.576 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 704 -9.916 -0.604 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 704 -8.432 -0.432 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 704 -7.799 -3.428 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -7.738 -2.429 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 704 -8.749 -3.893 8.716 1.00 0.00 H new ATOM 1263 N SER A 705 -12.096 1.074 8.404 1.00 0.00 N ATOM 1264 CA SER A 705 -12.178 2.351 7.807 1.00 0.00 C ATOM 1265 C SER A 705 -10.981 3.126 8.309 1.00 0.00 C ATOM 1266 O SER A 705 -10.789 3.241 9.518 1.00 0.00 O ATOM 1267 CB SER A 705 -13.471 3.026 8.249 1.00 0.00 C ATOM 1268 OG SER A 705 -14.592 2.151 8.074 1.00 0.00 O ATOM 0 H SER A 705 -12.145 1.094 9.423 1.00 0.00 H new ATOM 0 HA SER A 705 -12.180 2.298 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 705 -13.393 3.319 9.296 1.00 0.00 H new ATOM 0 HB3 SER A 705 -13.624 3.939 7.673 1.00 0.00 H new ATOM 0 HG SER A 705 -15.410 2.605 8.366 1.00 0.00 H new ATOM 1274 N SER A 706 -10.159 3.616 7.427 1.00 0.00 N ATOM 1275 CA SER A 706 -8.962 4.289 7.860 1.00 0.00 C ATOM 1276 C SER A 706 -8.979 5.777 7.470 1.00 0.00 C ATOM 1277 O SER A 706 -8.528 6.152 6.399 1.00 0.00 O ATOM 1278 CB SER A 706 -7.746 3.581 7.273 1.00 0.00 C ATOM 1279 OG SER A 706 -7.837 2.160 7.429 1.00 0.00 O ATOM 0 H SER A 706 -10.289 3.566 6.417 1.00 0.00 H new ATOM 0 HA SER A 706 -8.910 4.248 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 706 -7.657 3.826 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 706 -6.842 3.944 7.762 1.00 0.00 H new ATOM 0 HG SER A 706 -7.043 1.737 7.041 1.00 0.00 H new ATOM 1285 N PRO A 707 -9.556 6.631 8.306 1.00 0.00 N ATOM 1286 CA PRO A 707 -9.606 8.049 8.069 1.00 0.00 C ATOM 1287 C PRO A 707 -8.465 8.819 8.785 1.00 0.00 C ATOM 1288 O PRO A 707 -7.958 8.377 9.834 1.00 0.00 O ATOM 1289 CB PRO A 707 -10.971 8.431 8.625 1.00 0.00 C ATOM 1290 CG PRO A 707 -11.408 7.255 9.481 1.00 0.00 C ATOM 1291 CD PRO A 707 -10.263 6.299 9.526 1.00 0.00 C ATOM 0 HA PRO A 707 -9.472 8.302 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 707 -10.912 9.345 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 707 -11.683 8.617 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 707 -11.673 7.586 10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 707 -12.292 6.778 9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 707 -9.643 6.444 10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 707 -10.596 5.261 9.537 1.00 0.00 H new ATOM 1299 N PRO A 708 -8.023 9.954 8.226 1.00 0.00 N ATOM 1300 CA PRO A 708 -8.543 10.478 6.960 1.00 0.00 C ATOM 1301 C PRO A 708 -8.093 9.616 5.784 1.00 0.00 C ATOM 1302 O PRO A 708 -6.910 9.272 5.668 1.00 0.00 O ATOM 1303 CB PRO A 708 -7.937 11.878 6.878 1.00 0.00 C ATOM 1304 CG PRO A 708 -6.695 11.801 7.685 1.00 0.00 C ATOM 1305 CD PRO A 708 -6.973 10.823 8.790 1.00 0.00 C ATOM 0 HA PRO A 708 -9.632 10.484 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 708 -7.722 12.156 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 708 -8.621 12.629 7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 708 -5.854 11.470 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 708 -6.431 12.779 8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 708 -6.082 10.255 9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 708 -7.312 11.326 9.695 1.00 0.00 H new ATOM 1313 N TYR A 709 -9.036 9.247 4.951 1.00 0.00 N ATOM 1314 CA TYR A 709 -8.760 8.374 3.824 1.00 0.00 C ATOM 1315 C TYR A 709 -8.046 9.180 2.737 1.00 0.00 C ATOM 1316 O TYR A 709 -8.700 9.831 1.924 1.00 0.00 O ATOM 1317 CB TYR A 709 -10.066 7.805 3.225 1.00 0.00 C ATOM 1318 CG TYR A 709 -11.081 7.256 4.202 1.00 0.00 C ATOM 1319 CD1 TYR A 709 -12.042 8.081 4.745 1.00 0.00 C ATOM 1320 CD2 TYR A 709 -11.115 5.910 4.533 1.00 0.00 C ATOM 1321 CE1 TYR A 709 -13.008 7.594 5.585 1.00 0.00 C ATOM 1322 CE2 TYR A 709 -12.078 5.414 5.389 1.00 0.00 C ATOM 1323 CZ TYR A 709 -13.024 6.262 5.903 1.00 0.00 C ATOM 1324 OH TYR A 709 -14.002 5.772 6.725 1.00 0.00 O ATOM 0 H TYR A 709 -10.010 9.538 5.029 1.00 0.00 H new ATOM 0 HA TYR A 709 -8.142 7.548 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 709 -10.545 8.593 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 709 -9.802 7.011 2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 709 -12.033 9.134 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 709 -10.378 5.240 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 709 -13.754 8.258 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 709 -12.086 4.366 5.651 1.00 0.00 H new ATOM 0 HH TYR A 709 -14.858 5.765 6.247 1.00 0.00 H new ATOM 1334 N TYR A 710 -6.739 9.190 2.766 1.00 0.00 N ATOM 1335 CA TYR A 710 -5.937 9.919 1.787 1.00 0.00 C ATOM 1336 C TYR A 710 -5.705 9.099 0.546 1.00 0.00 C ATOM 1337 O TYR A 710 -6.021 7.917 0.510 1.00 0.00 O ATOM 1338 CB TYR A 710 -4.575 10.266 2.359 1.00 0.00 C ATOM 1339 CG TYR A 710 -4.486 11.572 3.076 1.00 0.00 C ATOM 1340 CD1 TYR A 710 -5.101 11.773 4.287 1.00 0.00 C ATOM 1341 CD2 TYR A 710 -3.748 12.610 2.535 1.00 0.00 C ATOM 1342 CE1 TYR A 710 -4.989 12.972 4.944 1.00 0.00 C ATOM 1343 CE2 TYR A 710 -3.621 13.805 3.187 1.00 0.00 C ATOM 1344 CZ TYR A 710 -4.244 13.984 4.393 1.00 0.00 C ATOM 1345 OH TYR A 710 -4.114 15.183 5.059 1.00 0.00 O ATOM 0 H TYR A 710 -6.188 8.695 3.467 1.00 0.00 H new ATOM 0 HA TYR A 710 -6.494 10.823 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 710 -4.278 9.474 3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 710 -3.850 10.270 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 710 -5.681 10.976 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 710 -3.263 12.474 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 710 -5.486 13.119 5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 710 -3.034 14.601 2.754 1.00 0.00 H new ATOM 0 HH TYR A 710 -3.554 15.791 4.533 1.00 0.00 H new ATOM 1355 N TYR A 711 -5.163 9.734 -0.483 1.00 0.00 N ATOM 1356 CA TYR A 711 -4.723 9.014 -1.666 1.00 0.00 C ATOM 1357 C TYR A 711 -3.622 8.074 -1.207 1.00 0.00 C ATOM 1358 O TYR A 711 -2.732 8.479 -0.461 1.00 0.00 O ATOM 1359 CB TYR A 711 -4.174 9.996 -2.735 1.00 0.00 C ATOM 1360 CG TYR A 711 -3.718 9.378 -4.084 1.00 0.00 C ATOM 1361 CD1 TYR A 711 -2.676 8.461 -4.157 1.00 0.00 C ATOM 1362 CD2 TYR A 711 -4.318 9.738 -5.268 1.00 0.00 C ATOM 1363 CE1 TYR A 711 -2.250 7.929 -5.339 1.00 0.00 C ATOM 1364 CE2 TYR A 711 -3.893 9.203 -6.479 1.00 0.00 C ATOM 1365 CZ TYR A 711 -2.858 8.297 -6.499 1.00 0.00 C ATOM 1366 OH TYR A 711 -2.427 7.770 -7.689 1.00 0.00 O ATOM 0 H TYR A 711 -5.018 10.743 -0.522 1.00 0.00 H new ATOM 0 HA TYR A 711 -5.551 8.471 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 711 -4.946 10.737 -2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 711 -3.328 10.530 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 711 -2.185 8.158 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 711 -5.132 10.447 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 711 -1.435 7.220 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 711 -4.374 9.498 -7.400 1.00 0.00 H new ATOM 0 HH TYR A 711 -2.966 8.134 -8.422 1.00 0.00 H new ATOM 1376 N GLY A 712 -3.704 6.843 -1.614 1.00 0.00 N ATOM 1377 CA GLY A 712 -2.715 5.885 -1.218 1.00 0.00 C ATOM 1378 C GLY A 712 -3.146 5.093 0.000 1.00 0.00 C ATOM 1379 O GLY A 712 -2.500 4.091 0.363 1.00 0.00 O ATOM 0 H GLY A 712 -4.442 6.479 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 712 -2.521 5.202 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 712 -1.778 6.399 -1.003 1.00 0.00 H new ATOM 1383 N ASP A 713 -4.238 5.524 0.639 1.00 0.00 N ATOM 1384 CA ASP A 713 -4.766 4.828 1.805 1.00 0.00 C ATOM 1385 C ASP A 713 -5.483 3.574 1.345 1.00 0.00 C ATOM 1386 O ASP A 713 -5.704 3.379 0.133 1.00 0.00 O ATOM 1387 CB ASP A 713 -5.733 5.709 2.602 1.00 0.00 C ATOM 1388 CG ASP A 713 -5.770 5.361 4.066 1.00 0.00 C ATOM 1389 OD1 ASP A 713 -6.245 4.271 4.429 1.00 0.00 O ATOM 1390 OD2 ASP A 713 -5.289 6.166 4.874 1.00 0.00 O ATOM 0 H ASP A 713 -4.769 6.351 0.365 1.00 0.00 H new ATOM 0 HA ASP A 713 -3.933 4.575 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 713 -5.442 6.753 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 713 -6.735 5.610 2.185 1.00 0.00 H new ATOM 1395 N SER A 714 -5.900 2.762 2.270 1.00 0.00 N ATOM 1396 CA SER A 714 -6.464 1.479 1.938 1.00 0.00 C ATOM 1397 C SER A 714 -7.640 1.173 2.806 1.00 0.00 C ATOM 1398 O SER A 714 -7.689 1.548 3.986 1.00 0.00 O ATOM 1399 CB SER A 714 -5.464 0.392 2.159 1.00 0.00 C ATOM 1400 OG SER A 714 -4.148 0.860 1.881 1.00 0.00 O ATOM 0 H SER A 714 -5.862 2.964 3.269 1.00 0.00 H new ATOM 0 HA SER A 714 -6.763 1.525 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 714 -5.521 0.041 3.189 1.00 0.00 H new ATOM 0 HB3 SER A 714 -5.696 -0.459 1.519 1.00 0.00 H new ATOM 0 HG SER A 714 -3.505 0.136 2.032 1.00 0.00 H new ATOM 1406 N VAL A 715 -8.560 0.477 2.240 1.00 0.00 N ATOM 1407 CA VAL A 715 -9.715 0.043 2.921 1.00 0.00 C ATOM 1408 C VAL A 715 -10.018 -1.373 2.527 1.00 0.00 C ATOM 1409 O VAL A 715 -9.800 -1.754 1.394 1.00 0.00 O ATOM 1410 CB VAL A 715 -10.933 0.966 2.651 1.00 0.00 C ATOM 1411 CG1 VAL A 715 -12.184 0.304 3.099 1.00 0.00 C ATOM 1412 CG2 VAL A 715 -10.796 2.257 3.413 1.00 0.00 C ATOM 0 H VAL A 715 -8.524 0.188 1.262 1.00 0.00 H new ATOM 0 HA VAL A 715 -9.520 0.091 3.992 1.00 0.00 H new ATOM 0 HB VAL A 715 -10.969 1.166 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 715 -13.032 0.960 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 715 -12.316 -0.631 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 715 -12.123 0.096 4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 715 -11.659 2.892 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 715 -10.743 2.045 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 715 -9.887 2.770 3.099 1.00 0.00 H new ATOM 1422 N GLU A 716 -10.478 -2.150 3.466 1.00 0.00 N ATOM 1423 CA GLU A 716 -10.864 -3.491 3.182 1.00 0.00 C ATOM 1424 C GLU A 716 -12.363 -3.642 3.285 1.00 0.00 C ATOM 1425 O GLU A 716 -12.974 -3.382 4.343 1.00 0.00 O ATOM 1426 CB GLU A 716 -10.146 -4.482 4.064 1.00 0.00 C ATOM 1427 CG GLU A 716 -8.646 -4.439 3.876 1.00 0.00 C ATOM 1428 CD GLU A 716 -7.924 -5.535 4.587 1.00 0.00 C ATOM 1429 OE1 GLU A 716 -7.638 -5.386 5.781 1.00 0.00 O ATOM 1430 OE2 GLU A 716 -7.629 -6.571 3.966 1.00 0.00 O ATOM 0 H GLU A 716 -10.593 -1.869 4.440 1.00 0.00 H new ATOM 0 HA GLU A 716 -10.569 -3.713 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 716 -10.385 -4.276 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 716 -10.508 -5.487 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 716 -8.420 -4.497 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 716 -8.271 -3.479 4.230 1.00 0.00 H new ATOM 1437 N PHE A 717 -12.932 -4.057 2.203 1.00 0.00 N ATOM 1438 CA PHE A 717 -14.341 -4.273 2.041 1.00 0.00 C ATOM 1439 C PHE A 717 -14.711 -5.710 2.342 1.00 0.00 C ATOM 1440 O PHE A 717 -13.905 -6.622 2.158 1.00 0.00 O ATOM 1441 CB PHE A 717 -14.772 -3.885 0.623 1.00 0.00 C ATOM 1442 CG PHE A 717 -15.348 -2.508 0.523 1.00 0.00 C ATOM 1443 CD1 PHE A 717 -14.661 -1.404 0.997 1.00 0.00 C ATOM 1444 CD2 PHE A 717 -16.604 -2.324 -0.022 1.00 0.00 C ATOM 1445 CE1 PHE A 717 -15.226 -0.147 0.917 1.00 0.00 C ATOM 1446 CE2 PHE A 717 -17.166 -1.080 -0.098 1.00 0.00 C ATOM 1447 CZ PHE A 717 -16.480 0.004 0.368 1.00 0.00 C ATOM 0 H PHE A 717 -12.401 -4.268 1.358 1.00 0.00 H new ATOM 0 HA PHE A 717 -14.871 -3.640 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 717 -13.911 -3.958 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 717 -15.510 -4.604 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 717 -13.680 -1.526 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 717 -17.151 -3.177 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 717 -14.687 0.714 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 717 -18.150 -0.955 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 717 -16.924 0.987 0.306 1.00 0.00 H new ATOM 1457 N ASN A 718 -15.885 -5.887 2.860 1.00 0.00 N ATOM 1458 CA ASN A 718 -16.417 -7.187 3.201 1.00 0.00 C ATOM 1459 C ASN A 718 -17.776 -7.317 2.601 1.00 0.00 C ATOM 1460 O ASN A 718 -18.597 -6.408 2.715 1.00 0.00 O ATOM 1461 CB ASN A 718 -16.551 -7.356 4.724 1.00 0.00 C ATOM 1462 CG ASN A 718 -17.017 -8.761 5.164 1.00 0.00 C ATOM 1463 OD1 ASN A 718 -16.595 -9.795 4.475 1.00 0.00 O flip ATOM 1464 ND2 ASN A 718 -17.727 -8.908 6.155 1.00 0.00 N flip ATOM 0 H ASN A 718 -16.523 -5.119 3.066 1.00 0.00 H new ATOM 0 HA ASN A 718 -15.735 -7.947 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 718 -15.588 -7.142 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 718 -17.258 -6.616 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 718 -18.046 -8.093 6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 718 -17.998 -9.845 6.454 1.00 0.00 H new ATOM 1471 N CYS A 719 -17.992 -8.391 1.944 1.00 0.00 N ATOM 1472 CA CYS A 719 -19.276 -8.717 1.411 1.00 0.00 C ATOM 1473 C CYS A 719 -20.031 -9.460 2.473 1.00 0.00 C ATOM 1474 O CYS A 719 -19.411 -10.221 3.240 1.00 0.00 O ATOM 1475 CB CYS A 719 -19.107 -9.588 0.164 1.00 0.00 C ATOM 1476 SG CYS A 719 -18.349 -8.706 -1.238 1.00 0.00 S ATOM 0 H CYS A 719 -17.273 -9.089 1.752 1.00 0.00 H new ATOM 0 HA CYS A 719 -19.821 -7.817 1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 719 -18.493 -10.453 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 719 -20.083 -9.968 -0.140 1.00 0.00 H new ATOM 1481 N SER A 720 -21.333 -9.229 2.562 1.00 0.00 N ATOM 1482 CA SER A 720 -22.170 -9.931 3.525 1.00 0.00 C ATOM 1483 C SER A 720 -21.930 -11.446 3.406 1.00 0.00 C ATOM 1484 O SER A 720 -21.748 -11.951 2.310 1.00 0.00 O ATOM 1485 CB SER A 720 -23.613 -9.573 3.260 1.00 0.00 C ATOM 1486 OG SER A 720 -23.783 -8.155 3.302 1.00 0.00 O ATOM 0 H SER A 720 -21.834 -8.559 1.978 1.00 0.00 H new ATOM 0 HA SER A 720 -21.920 -9.635 4.544 1.00 0.00 H new ATOM 0 HB2 SER A 720 -23.917 -9.955 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 720 -24.255 -10.046 4.003 1.00 0.00 H new ATOM 0 HG SER A 720 -24.721 -7.933 3.128 1.00 0.00 H new ATOM 1492 N GLU A 721 -21.881 -12.126 4.534 1.00 0.00 N ATOM 1493 CA GLU A 721 -21.497 -13.540 4.633 1.00 0.00 C ATOM 1494 C GLU A 721 -22.240 -14.484 3.647 1.00 0.00 C ATOM 1495 O GLU A 721 -21.638 -15.414 3.113 1.00 0.00 O ATOM 1496 CB GLU A 721 -21.619 -14.007 6.085 1.00 0.00 C ATOM 1497 CG GLU A 721 -21.058 -15.389 6.359 1.00 0.00 C ATOM 1498 CD GLU A 721 -21.086 -15.734 7.819 1.00 0.00 C ATOM 1499 OE1 GLU A 721 -22.144 -16.169 8.323 1.00 0.00 O ATOM 1500 OE2 GLU A 721 -20.061 -15.563 8.514 1.00 0.00 O ATOM 0 H GLU A 721 -22.111 -11.709 5.436 1.00 0.00 H new ATOM 0 HA GLU A 721 -20.455 -13.604 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -21.108 -13.289 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -22.671 -13.995 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -21.632 -16.129 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -20.032 -15.441 5.995 1.00 0.00 H new ATOM 1507 N SER A 722 -23.512 -14.222 3.368 1.00 0.00 N ATOM 1508 CA SER A 722 -24.283 -15.051 2.420 1.00 0.00 C ATOM 1509 C SER A 722 -23.913 -14.735 0.956 1.00 0.00 C ATOM 1510 O SER A 722 -24.444 -15.330 0.004 1.00 0.00 O ATOM 1511 CB SER A 722 -25.779 -14.862 2.652 1.00 0.00 C ATOM 1512 OG SER A 722 -26.128 -15.222 3.985 1.00 0.00 O ATOM 0 H SER A 722 -24.038 -13.449 3.777 1.00 0.00 H new ATOM 0 HA SER A 722 -24.027 -16.095 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 722 -26.053 -13.824 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 722 -26.342 -15.472 1.945 1.00 0.00 H new ATOM 0 HG SER A 722 -27.090 -15.093 4.117 1.00 0.00 H new ATOM 1518 N PHE A 723 -23.008 -13.822 0.790 1.00 0.00 N ATOM 1519 CA PHE A 723 -22.532 -13.427 -0.482 1.00 0.00 C ATOM 1520 C PHE A 723 -21.075 -13.731 -0.553 1.00 0.00 C ATOM 1521 O PHE A 723 -20.376 -13.697 0.452 1.00 0.00 O ATOM 1522 CB PHE A 723 -22.762 -11.935 -0.715 1.00 0.00 C ATOM 1523 CG PHE A 723 -24.202 -11.563 -0.824 1.00 0.00 C ATOM 1524 CD1 PHE A 723 -24.959 -11.275 0.296 1.00 0.00 C ATOM 1525 CD2 PHE A 723 -24.800 -11.517 -2.053 1.00 0.00 C ATOM 1526 CE1 PHE A 723 -26.292 -10.953 0.172 1.00 0.00 C ATOM 1527 CE2 PHE A 723 -26.115 -11.198 -2.190 1.00 0.00 C ATOM 1528 CZ PHE A 723 -26.872 -10.914 -1.077 1.00 0.00 C ATOM 0 H PHE A 723 -22.572 -13.321 1.564 1.00 0.00 H new ATOM 0 HA PHE A 723 -23.074 -13.972 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 723 -22.311 -11.374 0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 723 -22.248 -11.635 -1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 723 -24.502 -11.303 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 723 -24.216 -11.739 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 723 -26.880 -10.732 1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 723 -26.564 -11.168 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 723 -27.917 -10.661 -1.182 1.00 0.00 H new ATOM 1538 N THR A 724 -20.622 -14.046 -1.696 1.00 0.00 N ATOM 1539 CA THR A 724 -19.256 -14.326 -1.877 1.00 0.00 C ATOM 1540 C THR A 724 -18.642 -13.187 -2.673 1.00 0.00 C ATOM 1541 O THR A 724 -19.281 -12.647 -3.595 1.00 0.00 O ATOM 1542 CB THR A 724 -19.054 -15.726 -2.538 1.00 0.00 C ATOM 1543 OG1 THR A 724 -17.663 -16.049 -2.686 1.00 0.00 O ATOM 1544 CG2 THR A 724 -19.764 -15.818 -3.885 1.00 0.00 C ATOM 0 H THR A 724 -21.189 -14.118 -2.541 1.00 0.00 H new ATOM 0 HA THR A 724 -18.743 -14.387 -0.917 1.00 0.00 H new ATOM 0 HB THR A 724 -19.501 -16.457 -1.865 1.00 0.00 H new ATOM 0 HG1 THR A 724 -17.575 -16.932 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 724 -19.601 -16.806 -4.315 1.00 0.00 H new ATOM 0 HG22 THR A 724 -20.833 -15.655 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 724 -19.366 -15.059 -4.559 1.00 0.00 H new ATOM 1552 N MET A 725 -17.460 -12.774 -2.280 1.00 0.00 N ATOM 1553 CA MET A 725 -16.826 -11.651 -2.897 1.00 0.00 C ATOM 1554 C MET A 725 -15.977 -12.093 -4.063 1.00 0.00 C ATOM 1555 O MET A 725 -15.283 -13.111 -4.000 1.00 0.00 O ATOM 1556 CB MET A 725 -16.004 -10.853 -1.867 1.00 0.00 C ATOM 1557 CG MET A 725 -14.497 -11.075 -1.856 1.00 0.00 C ATOM 1558 SD MET A 725 -13.701 -10.181 -0.497 1.00 0.00 S ATOM 1559 CE MET A 725 -14.439 -8.553 -0.712 1.00 0.00 C ATOM 0 H MET A 725 -16.921 -13.207 -1.530 1.00 0.00 H new ATOM 0 HA MET A 725 -17.599 -10.987 -3.284 1.00 0.00 H new ATOM 0 HB2 MET A 725 -16.188 -9.792 -2.037 1.00 0.00 H new ATOM 0 HB3 MET A 725 -16.387 -11.088 -0.874 1.00 0.00 H new ATOM 0 HG2 MET A 725 -14.286 -12.140 -1.764 1.00 0.00 H new ATOM 0 HG3 MET A 725 -14.073 -10.747 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 725 -13.928 -7.834 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 725 -14.342 -8.244 -1.753 1.00 0.00 H new ATOM 0 HE3 MET A 725 -15.494 -8.593 -0.442 1.00 0.00 H new ATOM 1569 N ILE A 726 -16.089 -11.382 -5.125 1.00 0.00 N ATOM 1570 CA ILE A 726 -15.311 -11.627 -6.297 1.00 0.00 C ATOM 1571 C ILE A 726 -14.431 -10.436 -6.505 1.00 0.00 C ATOM 1572 O ILE A 726 -14.923 -9.340 -6.761 1.00 0.00 O ATOM 1573 CB ILE A 726 -16.199 -11.837 -7.542 1.00 0.00 C ATOM 1574 CG1 ILE A 726 -17.268 -12.905 -7.263 1.00 0.00 C ATOM 1575 CG2 ILE A 726 -15.339 -12.230 -8.741 1.00 0.00 C ATOM 1576 CD1 ILE A 726 -18.208 -13.151 -8.420 1.00 0.00 C ATOM 0 H ILE A 726 -16.735 -10.597 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 726 -14.729 -12.538 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 726 -16.707 -10.901 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -16.773 -13.841 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -17.851 -12.602 -6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -15.976 -12.376 -9.613 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -14.618 -11.439 -8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -14.809 -13.156 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -18.932 -13.918 -8.144 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -18.733 -12.228 -8.665 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -17.638 -13.486 -9.287 1.00 0.00 H new ATOM 1588 N GLY A 727 -13.163 -10.644 -6.354 1.00 0.00 N ATOM 1589 CA GLY A 727 -12.207 -9.587 -6.449 1.00 0.00 C ATOM 1590 C GLY A 727 -11.442 -9.465 -5.176 1.00 0.00 C ATOM 1591 O GLY A 727 -11.373 -10.431 -4.401 1.00 0.00 O ATOM 0 H GLY A 727 -12.758 -11.560 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -11.523 -9.780 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -12.714 -8.647 -6.668 1.00 0.00 H new ATOM 1595 N HIS A 728 -10.896 -8.312 -4.912 1.00 0.00 N ATOM 1596 CA HIS A 728 -10.114 -8.166 -3.724 1.00 0.00 C ATOM 1597 C HIS A 728 -10.819 -7.299 -2.731 1.00 0.00 C ATOM 1598 O HIS A 728 -11.455 -6.308 -3.088 1.00 0.00 O ATOM 1599 CB HIS A 728 -8.708 -7.624 -4.000 1.00 0.00 C ATOM 1600 CG HIS A 728 -7.746 -7.983 -2.918 1.00 0.00 C ATOM 1601 ND1 HIS A 728 -6.631 -7.252 -2.587 1.00 0.00 N ATOM 1602 CD2 HIS A 728 -7.735 -9.057 -2.114 1.00 0.00 C ATOM 1603 CE1 HIS A 728 -5.972 -7.876 -1.628 1.00 0.00 C ATOM 1604 NE2 HIS A 728 -6.629 -8.971 -1.325 1.00 0.00 N ATOM 0 H HIS A 728 -10.976 -7.477 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 728 -9.993 -9.166 -3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 728 -8.348 -8.018 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 728 -8.751 -6.540 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 728 -8.471 -9.847 -2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 728 -5.051 -7.543 -1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 728 -6.355 -9.648 -0.613 1.00 0.00 H new ATOM 1613 N ARG A 729 -10.725 -7.705 -1.492 1.00 0.00 N ATOM 1614 CA ARG A 729 -11.286 -6.989 -0.378 1.00 0.00 C ATOM 1615 C ARG A 729 -10.701 -5.600 -0.215 1.00 0.00 C ATOM 1616 O ARG A 729 -11.410 -4.686 0.143 1.00 0.00 O ATOM 1617 CB ARG A 729 -11.147 -7.792 0.927 1.00 0.00 C ATOM 1618 CG ARG A 729 -9.728 -8.200 1.298 1.00 0.00 C ATOM 1619 CD ARG A 729 -9.717 -8.978 2.598 1.00 0.00 C ATOM 1620 NE ARG A 729 -8.400 -9.557 2.886 1.00 0.00 N ATOM 1621 CZ ARG A 729 -8.202 -10.661 3.623 1.00 0.00 C ATOM 1622 NH1 ARG A 729 -9.191 -11.159 4.369 1.00 0.00 N ATOM 1623 NH2 ARG A 729 -7.000 -11.217 3.688 1.00 0.00 N ATOM 0 H ARG A 729 -10.244 -8.564 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 729 -12.346 -6.862 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 729 -11.561 -7.200 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 729 -11.756 -8.693 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 729 -9.299 -8.808 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 729 -9.103 -7.313 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 729 -10.009 -8.320 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 729 -10.459 -9.775 2.549 1.00 0.00 H new ATOM 0 HE ARG A 729 -7.580 -9.089 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 729 -10.102 -10.700 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 729 -9.036 -11.998 4.927 1.00 0.00 H new ATOM 0 HH21 ARG A 729 -6.219 -10.806 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 729 -6.856 -12.056 4.250 1.00 0.00 H new ATOM 1637 N SER A 730 -9.443 -5.425 -0.502 1.00 0.00 N ATOM 1638 CA SER A 730 -8.846 -4.156 -0.249 1.00 0.00 C ATOM 1639 C SER A 730 -8.852 -3.258 -1.449 1.00 0.00 C ATOM 1640 O SER A 730 -8.832 -3.717 -2.601 1.00 0.00 O ATOM 1641 CB SER A 730 -7.470 -4.311 0.330 1.00 0.00 C ATOM 1642 OG SER A 730 -6.705 -5.238 -0.407 1.00 0.00 O ATOM 0 H SER A 730 -8.826 -6.131 -0.903 1.00 0.00 H new ATOM 0 HA SER A 730 -9.467 -3.660 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 730 -6.966 -3.345 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 730 -7.544 -4.640 1.366 1.00 0.00 H new ATOM 0 HG SER A 730 -5.814 -5.318 -0.008 1.00 0.00 H new ATOM 1648 N ILE A 731 -8.943 -1.987 -1.178 1.00 0.00 N ATOM 1649 CA ILE A 731 -8.928 -0.963 -2.173 1.00 0.00 C ATOM 1650 C ILE A 731 -7.947 0.104 -1.781 1.00 0.00 C ATOM 1651 O ILE A 731 -7.543 0.190 -0.617 1.00 0.00 O ATOM 1652 CB ILE A 731 -10.312 -0.326 -2.333 1.00 0.00 C ATOM 1653 CG1 ILE A 731 -10.827 0.144 -0.956 1.00 0.00 C ATOM 1654 CG2 ILE A 731 -11.266 -1.289 -3.020 1.00 0.00 C ATOM 1655 CD1 ILE A 731 -12.226 0.644 -0.932 1.00 0.00 C ATOM 0 H ILE A 731 -9.032 -1.628 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 731 -8.639 -1.417 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 731 -10.244 0.552 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 731 -10.744 -0.686 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 731 -10.171 0.935 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 731 -12.244 -0.819 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 731 -10.878 -1.544 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 731 -11.361 -2.195 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 731 -12.486 0.948 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 731 -12.318 1.499 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 731 -12.901 -0.147 -1.258 1.00 0.00 H new ATOM 1667 N THR A 732 -7.620 0.931 -2.716 1.00 0.00 N ATOM 1668 CA THR A 732 -6.677 1.985 -2.507 1.00 0.00 C ATOM 1669 C THR A 732 -7.266 3.276 -3.071 1.00 0.00 C ATOM 1670 O THR A 732 -7.856 3.262 -4.143 1.00 0.00 O ATOM 1671 CB THR A 732 -5.336 1.668 -3.212 1.00 0.00 C ATOM 1672 OG1 THR A 732 -4.845 0.368 -2.796 1.00 0.00 O ATOM 1673 CG2 THR A 732 -4.306 2.722 -2.873 1.00 0.00 C ATOM 0 H THR A 732 -8.003 0.896 -3.661 1.00 0.00 H new ATOM 0 HA THR A 732 -6.480 2.091 -1.440 1.00 0.00 H new ATOM 0 HB THR A 732 -5.507 1.662 -4.289 1.00 0.00 H new ATOM 0 HG1 THR A 732 -3.997 0.178 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 732 -3.367 2.488 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 732 -4.661 3.698 -3.204 1.00 0.00 H new ATOM 0 HG23 THR A 732 -4.146 2.741 -1.795 1.00 0.00 H new ATOM 1681 N CYS A 733 -7.170 4.344 -2.318 1.00 0.00 N ATOM 1682 CA CYS A 733 -7.695 5.647 -2.721 1.00 0.00 C ATOM 1683 C CYS A 733 -6.873 6.251 -3.852 1.00 0.00 C ATOM 1684 O CYS A 733 -5.706 6.607 -3.661 1.00 0.00 O ATOM 1685 CB CYS A 733 -7.732 6.586 -1.518 1.00 0.00 C ATOM 1686 SG CYS A 733 -8.283 8.273 -1.894 1.00 0.00 S ATOM 0 H CYS A 733 -6.724 4.345 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 733 -8.710 5.508 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 733 -8.393 6.162 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 733 -6.735 6.633 -1.079 1.00 0.00 H new ATOM 1691 N ILE A 734 -7.473 6.345 -5.032 1.00 0.00 N ATOM 1692 CA ILE A 734 -6.795 6.838 -6.220 1.00 0.00 C ATOM 1693 C ILE A 734 -7.577 8.011 -6.862 1.00 0.00 C ATOM 1694 O ILE A 734 -8.675 7.834 -7.366 1.00 0.00 O ATOM 1695 CB ILE A 734 -6.613 5.692 -7.269 1.00 0.00 C ATOM 1696 CG1 ILE A 734 -5.851 4.498 -6.663 1.00 0.00 C ATOM 1697 CG2 ILE A 734 -5.893 6.195 -8.504 1.00 0.00 C ATOM 1698 CD1 ILE A 734 -4.492 4.863 -6.119 1.00 0.00 C ATOM 0 H ILE A 734 -8.445 6.081 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 734 -5.814 7.199 -5.912 1.00 0.00 H new ATOM 0 HB ILE A 734 -7.608 5.354 -7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 734 -6.450 4.064 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 734 -5.733 3.728 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 734 -5.780 5.378 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 734 -6.472 6.998 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 734 -4.909 6.571 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 734 -4.014 3.974 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 734 -3.876 5.269 -6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 734 -4.603 5.610 -5.334 1.00 0.00 H new ATOM 1710 N HIS A 735 -7.008 9.214 -6.775 1.00 0.00 N ATOM 1711 CA HIS A 735 -7.568 10.461 -7.367 1.00 0.00 C ATOM 1712 C HIS A 735 -8.844 10.909 -6.663 1.00 0.00 C ATOM 1713 O HIS A 735 -9.552 11.790 -7.141 1.00 0.00 O ATOM 1714 CB HIS A 735 -7.811 10.351 -8.899 1.00 0.00 C ATOM 1715 CG HIS A 735 -6.577 10.357 -9.769 1.00 0.00 C ATOM 1716 ND1 HIS A 735 -5.594 9.448 -9.935 1.00 0.00 N flip ATOM 1717 CD2 HIS A 735 -6.285 11.378 -10.644 1.00 0.00 C flip ATOM 1718 CE1 HIS A 735 -4.746 9.932 -10.894 1.00 0.00 C flip ATOM 1719 NE2 HIS A 735 -5.190 11.096 -11.305 1.00 0.00 N flip ATOM 0 H HIS A 735 -6.127 9.367 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 735 -6.803 11.222 -7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 735 -8.364 9.432 -9.094 1.00 0.00 H new ATOM 0 HB3 HIS A 735 -8.451 11.179 -9.205 1.00 0.00 H new ATOM 0 HD2 HIS A 735 -6.871 12.277 -10.767 1.00 0.00 H new ATOM 0 HE1 HIS A 735 -3.856 9.436 -11.254 1.00 0.00 H new ATOM 0 HE2 HIS A 735 -4.756 11.682 -12.018 1.00 0.00 H new ATOM 1728 N GLY A 736 -9.109 10.328 -5.512 1.00 0.00 N ATOM 1729 CA GLY A 736 -10.309 10.653 -4.782 1.00 0.00 C ATOM 1730 C GLY A 736 -11.348 9.564 -4.920 1.00 0.00 C ATOM 1731 O GLY A 736 -12.468 9.673 -4.384 1.00 0.00 O ATOM 0 H GLY A 736 -8.511 9.632 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 736 -10.068 10.798 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 736 -10.716 11.595 -5.148 1.00 0.00 H new ATOM 1735 N VAL A 737 -10.983 8.498 -5.614 1.00 0.00 N ATOM 1736 CA VAL A 737 -11.865 7.372 -5.822 1.00 0.00 C ATOM 1737 C VAL A 737 -11.104 6.106 -5.501 1.00 0.00 C ATOM 1738 O VAL A 737 -9.980 5.937 -5.949 1.00 0.00 O ATOM 1739 CB VAL A 737 -12.369 7.304 -7.297 1.00 0.00 C ATOM 1740 CG1 VAL A 737 -13.339 6.149 -7.502 1.00 0.00 C ATOM 1741 CG2 VAL A 737 -13.015 8.609 -7.707 1.00 0.00 C ATOM 0 H VAL A 737 -10.065 8.394 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 737 -12.734 7.484 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 737 -11.499 7.131 -7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 737 -13.670 6.132 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 737 -12.841 5.209 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 737 -14.202 6.278 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 737 -13.358 8.537 -8.739 1.00 0.00 H new ATOM 0 HG22 VAL A 737 -13.864 8.815 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 737 -12.288 9.417 -7.622 1.00 0.00 H new ATOM 1751 N TRP A 738 -11.674 5.245 -4.706 1.00 0.00 N ATOM 1752 CA TRP A 738 -11.027 3.975 -4.409 1.00 0.00 C ATOM 1753 C TRP A 738 -10.898 3.159 -5.694 1.00 0.00 C ATOM 1754 O TRP A 738 -11.647 3.391 -6.644 1.00 0.00 O ATOM 1755 CB TRP A 738 -11.799 3.195 -3.369 1.00 0.00 C ATOM 1756 CG TRP A 738 -11.958 3.938 -2.079 1.00 0.00 C ATOM 1757 CD1 TRP A 738 -13.019 4.672 -1.680 1.00 0.00 C ATOM 1758 CD2 TRP A 738 -11.009 4.014 -1.033 1.00 0.00 C ATOM 1759 NE1 TRP A 738 -12.789 5.205 -0.443 1.00 0.00 N ATOM 1760 CE2 TRP A 738 -11.551 4.819 -0.027 1.00 0.00 C ATOM 1761 CE3 TRP A 738 -9.755 3.477 -0.856 1.00 0.00 C ATOM 1762 CZ2 TRP A 738 -10.867 5.098 1.140 1.00 0.00 C ATOM 1763 CZ3 TRP A 738 -9.071 3.746 0.289 1.00 0.00 C ATOM 1764 CH2 TRP A 738 -9.622 4.554 1.282 1.00 0.00 C ATOM 0 H TRP A 738 -12.576 5.386 -4.251 1.00 0.00 H new ATOM 0 HA TRP A 738 -10.036 4.177 -4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 738 -12.785 2.950 -3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 738 -11.288 2.251 -3.178 1.00 0.00 H new ATOM 0 HD1 TRP A 738 -13.921 4.817 -2.256 1.00 0.00 H new ATOM 0 HE1 TRP A 738 -13.436 5.794 0.081 1.00 0.00 H new ATOM 0 HE3 TRP A 738 -9.318 2.848 -1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 738 -11.299 5.721 1.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 738 -8.086 3.327 0.431 1.00 0.00 H new ATOM 0 HH2 TRP A 738 -9.055 4.753 2.179 1.00 0.00 H new ATOM 1775 N THR A 739 -9.952 2.238 -5.707 1.00 0.00 N ATOM 1776 CA THR A 739 -9.594 1.433 -6.889 1.00 0.00 C ATOM 1777 C THR A 739 -10.762 1.003 -7.768 1.00 0.00 C ATOM 1778 O THR A 739 -10.937 1.536 -8.872 1.00 0.00 O ATOM 1779 CB THR A 739 -8.761 0.202 -6.504 1.00 0.00 C ATOM 1780 OG1 THR A 739 -9.409 -0.505 -5.443 1.00 0.00 O ATOM 1781 CG2 THR A 739 -7.368 0.596 -6.079 1.00 0.00 C ATOM 0 H THR A 739 -9.392 2.014 -4.885 1.00 0.00 H new ATOM 0 HA THR A 739 -9.000 2.118 -7.494 1.00 0.00 H new ATOM 0 HB THR A 739 -8.679 -0.442 -7.380 1.00 0.00 H new ATOM 0 HG1 THR A 739 -9.788 -1.339 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 739 -6.803 -0.297 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 739 -6.869 1.110 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 739 -7.425 1.260 -5.217 1.00 0.00 H new ATOM 1789 N GLN A 740 -11.566 0.073 -7.283 1.00 0.00 N ATOM 1790 CA GLN A 740 -12.635 -0.489 -8.103 1.00 0.00 C ATOM 1791 C GLN A 740 -13.660 -1.291 -7.344 1.00 0.00 C ATOM 1792 O GLN A 740 -14.802 -1.393 -7.790 1.00 0.00 O ATOM 1793 CB GLN A 740 -12.053 -1.281 -9.286 1.00 0.00 C ATOM 1794 CG GLN A 740 -10.790 -2.131 -8.977 1.00 0.00 C ATOM 1795 CD GLN A 740 -10.976 -3.228 -7.953 1.00 0.00 C ATOM 1796 OE1 GLN A 740 -10.587 -2.982 -6.723 1.00 0.00 O flip ATOM 1797 NE2 GLN A 740 -11.366 -4.321 -8.293 1.00 0.00 N flip ATOM 0 H GLN A 740 -11.504 -0.308 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 740 -13.191 0.367 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 740 -12.828 -1.944 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 740 -11.809 -0.579 -10.083 1.00 0.00 H new ATOM 0 HG2 GLN A 740 -10.441 -2.581 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 740 -10.001 -1.464 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 740 -11.661 -4.480 -9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 740 -11.400 -5.084 -7.617 1.00 0.00 H new ATOM 1806 N LEU A 741 -13.239 -1.862 -6.214 1.00 0.00 N ATOM 1807 CA LEU A 741 -14.085 -2.688 -5.332 1.00 0.00 C ATOM 1808 C LEU A 741 -14.450 -4.036 -5.983 1.00 0.00 C ATOM 1809 O LEU A 741 -14.451 -4.174 -7.216 1.00 0.00 O ATOM 1810 CB LEU A 741 -15.342 -1.924 -4.966 1.00 0.00 C ATOM 1811 CG LEU A 741 -15.095 -0.570 -4.337 1.00 0.00 C ATOM 1812 CD1 LEU A 741 -16.345 0.231 -4.413 1.00 0.00 C ATOM 1813 CD2 LEU A 741 -14.708 -0.732 -2.891 1.00 0.00 C ATOM 0 H LEU A 741 -12.282 -1.765 -5.874 1.00 0.00 H new ATOM 0 HA LEU A 741 -13.514 -2.907 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -15.944 -1.788 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -15.931 -2.528 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 741 -14.287 -0.069 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -16.178 1.209 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -16.634 0.357 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -17.141 -0.285 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -14.533 0.249 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -15.512 -1.234 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -13.798 -1.328 -2.822 1.00 0.00 H new ATOM 1825 N PRO A 742 -14.711 -5.050 -5.169 1.00 0.00 N ATOM 1826 CA PRO A 742 -15.138 -6.357 -5.653 1.00 0.00 C ATOM 1827 C PRO A 742 -16.648 -6.383 -5.958 1.00 0.00 C ATOM 1828 O PRO A 742 -17.308 -5.343 -5.992 1.00 0.00 O ATOM 1829 CB PRO A 742 -14.843 -7.279 -4.467 1.00 0.00 C ATOM 1830 CG PRO A 742 -14.950 -6.402 -3.270 1.00 0.00 C ATOM 1831 CD PRO A 742 -14.582 -5.014 -3.706 1.00 0.00 C ATOM 0 HA PRO A 742 -14.635 -6.639 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 742 -15.555 -8.103 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 742 -13.850 -7.721 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 742 -15.962 -6.423 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 742 -14.284 -6.747 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 742 -15.245 -4.269 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 742 -13.567 -4.757 -3.402 1.00 0.00 H new ATOM 1839 N GLN A 743 -17.180 -7.556 -6.177 1.00 0.00 N ATOM 1840 CA GLN A 743 -18.594 -7.731 -6.369 1.00 0.00 C ATOM 1841 C GLN A 743 -19.051 -8.875 -5.487 1.00 0.00 C ATOM 1842 O GLN A 743 -18.344 -9.868 -5.350 1.00 0.00 O ATOM 1843 CB GLN A 743 -18.941 -7.976 -7.846 1.00 0.00 C ATOM 1844 CG GLN A 743 -18.248 -9.177 -8.471 1.00 0.00 C ATOM 1845 CD GLN A 743 -18.635 -9.393 -9.918 1.00 0.00 C ATOM 1846 OE1 GLN A 743 -19.745 -9.058 -10.337 1.00 0.00 O ATOM 1847 NE2 GLN A 743 -17.737 -9.954 -10.688 1.00 0.00 N ATOM 0 H GLN A 743 -16.642 -8.421 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 743 -19.119 -6.818 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -20.019 -8.109 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -18.682 -7.085 -8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -17.168 -9.042 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -18.493 -10.071 -7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -16.829 -10.217 -10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -17.945 -10.128 -11.671 1.00 0.00 H new ATOM 1856 N CYS A 744 -20.166 -8.713 -4.843 1.00 0.00 N ATOM 1857 CA CYS A 744 -20.661 -9.736 -3.935 1.00 0.00 C ATOM 1858 C CYS A 744 -21.900 -10.398 -4.522 1.00 0.00 C ATOM 1859 O CYS A 744 -22.907 -9.732 -4.738 1.00 0.00 O ATOM 1860 CB CYS A 744 -21.030 -9.088 -2.615 1.00 0.00 C ATOM 1861 SG CYS A 744 -19.908 -7.744 -2.109 1.00 0.00 S ATOM 0 H CYS A 744 -20.760 -7.887 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 744 -19.886 -10.488 -3.785 1.00 0.00 H new ATOM 0 HB2 CYS A 744 -22.044 -8.694 -2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 744 -21.039 -9.852 -1.837 1.00 0.00 H new ATOM 1866 N VAL A 745 -21.848 -11.692 -4.717 1.00 0.00 N ATOM 1867 CA VAL A 745 -22.924 -12.420 -5.345 1.00 0.00 C ATOM 1868 C VAL A 745 -23.433 -13.463 -4.390 1.00 0.00 C ATOM 1869 O VAL A 745 -22.659 -13.975 -3.566 1.00 0.00 O ATOM 1870 CB VAL A 745 -22.484 -13.084 -6.686 1.00 0.00 C ATOM 1871 CG1 VAL A 745 -22.204 -12.031 -7.748 1.00 0.00 C ATOM 1872 CG2 VAL A 745 -21.250 -13.952 -6.493 1.00 0.00 C ATOM 0 H VAL A 745 -21.055 -12.273 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 745 -23.717 -11.712 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 745 -23.307 -13.716 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -21.899 -12.520 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -23.106 -11.446 -7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -21.406 -11.372 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -20.968 -14.401 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -20.428 -13.339 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -21.468 -14.739 -5.771 1.00 0.00 H new ATOM 1882 N ALA A 746 -24.721 -13.733 -4.440 1.00 0.00 N ATOM 1883 CA ALA A 746 -25.327 -14.708 -3.559 1.00 0.00 C ATOM 1884 C ALA A 746 -24.760 -16.084 -3.820 1.00 0.00 C ATOM 1885 O ALA A 746 -24.848 -16.593 -4.948 1.00 0.00 O ATOM 1886 CB ALA A 746 -26.841 -14.706 -3.709 1.00 0.00 C ATOM 0 H ALA A 746 -25.372 -13.287 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 746 -25.092 -14.433 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 746 -27.274 -15.447 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 746 -27.230 -13.719 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 746 -27.105 -14.951 -4.738 1.00 0.00 H new ATOM 1892 N ILE A 747 -24.118 -16.630 -2.803 1.00 0.00 N ATOM 1893 CA ILE A 747 -23.529 -17.973 -2.832 1.00 0.00 C ATOM 1894 C ILE A 747 -24.556 -19.008 -3.313 1.00 0.00 C ATOM 1895 O ILE A 747 -25.552 -19.256 -2.596 1.00 0.00 O ATOM 1896 CB ILE A 747 -22.985 -18.388 -1.429 1.00 0.00 C ATOM 1897 CG1 ILE A 747 -21.919 -17.388 -0.955 1.00 0.00 C ATOM 1898 CG2 ILE A 747 -22.411 -19.804 -1.466 1.00 0.00 C ATOM 1899 CD1 ILE A 747 -21.362 -17.673 0.429 1.00 0.00 C ATOM 1900 OXT ILE A 747 -24.385 -19.563 -4.422 1.00 0.00 O ATOM 0 H ILE A 747 -23.984 -16.150 -1.913 1.00 0.00 H new ATOM 0 HA ILE A 747 -22.694 -17.945 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 747 -23.814 -18.377 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 747 -21.097 -17.386 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 747 -22.350 -16.387 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 747 -22.038 -20.071 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 747 -23.191 -20.505 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 747 -21.594 -19.847 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 747 -20.617 -16.919 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 747 -22.171 -17.645 1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 747 -20.898 -18.659 0.439 1.00 0.00 H new