USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 SER OG : rot 180:sc= -0.251 USER MOD Single : A 621 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 627 SER OG : rot 180:sc= -0.361 USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 146:sc= 0.289 (180deg=0.048) USER MOD Single : A 634 MET CE :methyl -177:sc= -0.222 (180deg=-0.257) USER MOD Single : A 636 THR OG1 : rot 180:sc= 0 USER MOD Single : A 638 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 640 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 642 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0106) USER MOD Single : A 643 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 651 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.0075) USER MOD Single : A 656 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 MET CE :methyl 164:sc= -0.225 (180deg=-0.694) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 611 -28.874 -3.003 8.705 1.00 0.00 N ATOM 2 CA GLY A 611 -28.196 -1.730 8.454 1.00 0.00 C ATOM 3 C GLY A 611 -27.059 -1.916 7.470 1.00 0.00 C ATOM 4 O GLY A 611 -26.540 -3.024 7.316 1.00 0.00 O ATOM 0 HA2 GLY A 611 -28.908 -1.004 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -27.811 -1.326 9.390 1.00 0.00 H new ATOM 8 N SER A 612 -26.705 -0.840 6.768 1.00 0.00 N ATOM 9 CA SER A 612 -25.631 -0.829 5.787 1.00 0.00 C ATOM 10 C SER A 612 -24.272 -0.874 6.499 1.00 0.00 C ATOM 11 O SER A 612 -24.203 -0.849 7.730 1.00 0.00 O ATOM 12 CB SER A 612 -25.778 0.412 4.898 1.00 0.00 C ATOM 13 OG SER A 612 -25.503 0.058 3.559 1.00 0.00 O ATOM 0 H SER A 612 -27.168 0.063 6.870 1.00 0.00 H new ATOM 0 HA SER A 612 -25.690 -1.711 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 612 -26.787 0.816 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 612 -25.094 1.194 5.228 1.00 0.00 H new ATOM 0 HG SER A 612 -25.597 0.847 2.986 1.00 0.00 H new ATOM 19 N ILE A 613 -23.190 -0.943 5.729 1.00 0.00 N ATOM 20 CA ILE A 613 -21.817 -0.992 6.212 1.00 0.00 C ATOM 21 C ILE A 613 -21.003 0.083 5.504 1.00 0.00 C ATOM 22 O ILE A 613 -21.394 0.522 4.416 1.00 0.00 O ATOM 23 CB ILE A 613 -21.207 -2.398 6.000 1.00 0.00 C ATOM 24 CG1 ILE A 613 -20.877 -2.815 4.548 1.00 0.00 C ATOM 25 CG2 ILE A 613 -22.086 -3.431 6.702 1.00 0.00 C ATOM 26 CD1 ILE A 613 -21.954 -2.575 3.485 1.00 0.00 C ATOM 0 H ILE A 613 -23.250 -0.967 4.711 1.00 0.00 H new ATOM 0 HA ILE A 613 -21.801 -0.798 7.284 1.00 0.00 H new ATOM 0 HB ILE A 613 -20.215 -2.349 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 613 -19.976 -2.284 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 613 -20.635 -3.878 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 613 -21.664 -4.426 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 613 -22.131 -3.206 7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 613 -23.091 -3.399 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 613 -21.590 -2.913 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 613 -22.855 -3.130 3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 613 -22.185 -1.511 3.435 1.00 0.00 H new ATOM 38 N PRO A 614 -19.866 0.504 6.071 1.00 0.00 N ATOM 39 CA PRO A 614 -19.061 1.509 5.423 1.00 0.00 C ATOM 40 C PRO A 614 -18.182 0.863 4.343 1.00 0.00 C ATOM 41 O PRO A 614 -18.204 -0.364 4.214 1.00 0.00 O ATOM 42 CB PRO A 614 -18.258 2.118 6.562 1.00 0.00 C ATOM 43 CG PRO A 614 -17.991 0.918 7.470 1.00 0.00 C ATOM 44 CD PRO A 614 -19.274 0.102 7.341 1.00 0.00 C ATOM 0 HA PRO A 614 -19.637 2.271 4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 614 -17.332 2.570 6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 614 -18.817 2.899 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 614 -17.118 0.352 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 614 -17.808 1.223 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 614 -19.062 -0.967 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 614 -19.952 0.303 8.171 1.00 0.00 H new ATOM 52 N CYS A 615 -17.389 1.666 3.619 1.00 0.00 N ATOM 53 CA CYS A 615 -16.472 1.255 2.546 1.00 0.00 C ATOM 54 C CYS A 615 -15.827 -0.104 2.858 1.00 0.00 C ATOM 55 O CYS A 615 -14.902 -0.199 3.673 1.00 0.00 O ATOM 56 CB CYS A 615 -15.429 2.346 2.230 1.00 0.00 C ATOM 57 SG CYS A 615 -15.571 3.937 3.089 1.00 0.00 S ATOM 0 H CYS A 615 -17.369 2.674 3.775 1.00 0.00 H new ATOM 0 HA CYS A 615 -17.061 1.127 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 615 -14.442 1.937 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 615 -15.465 2.541 1.158 1.00 0.00 H new ATOM 62 N LEU A 616 -16.371 -1.160 2.241 1.00 0.00 N ATOM 63 CA LEU A 616 -15.953 -2.544 2.410 1.00 0.00 C ATOM 64 C LEU A 616 -14.691 -2.803 1.601 1.00 0.00 C ATOM 65 O LEU A 616 -14.725 -3.291 0.467 1.00 0.00 O ATOM 66 CB LEU A 616 -17.142 -3.472 2.084 1.00 0.00 C ATOM 67 CG LEU A 616 -17.075 -4.938 2.562 1.00 0.00 C ATOM 68 CD1 LEU A 616 -15.912 -5.724 1.973 1.00 0.00 C ATOM 69 CD2 LEU A 616 -17.070 -5.070 4.083 1.00 0.00 C ATOM 0 H LEU A 616 -17.146 -1.062 1.585 1.00 0.00 H new ATOM 0 HA LEU A 616 -15.679 -2.759 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 616 -18.040 -3.024 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 616 -17.271 -3.480 1.002 1.00 0.00 H new ATOM 0 HG LEU A 616 -17.996 -5.379 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 616 -15.932 -6.744 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 616 -15.998 -5.742 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 616 -14.972 -5.249 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 616 -17.022 -6.124 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 616 -16.203 -4.549 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 616 -17.981 -4.631 4.489 1.00 0.00 H new ATOM 81 N LEU A 617 -13.575 -2.446 2.226 1.00 0.00 N ATOM 82 CA LEU A 617 -12.230 -2.568 1.705 1.00 0.00 C ATOM 83 C LEU A 617 -11.569 -3.772 2.330 1.00 0.00 C ATOM 84 O LEU A 617 -11.651 -3.970 3.547 1.00 0.00 O ATOM 85 CB LEU A 617 -11.409 -1.340 2.113 1.00 0.00 C ATOM 86 CG LEU A 617 -11.872 -0.069 1.391 1.00 0.00 C ATOM 87 CD1 LEU A 617 -11.617 1.149 2.281 1.00 0.00 C ATOM 88 CD2 LEU A 617 -11.105 0.046 0.064 1.00 0.00 C ATOM 0 H LEU A 617 -13.592 -2.042 3.162 1.00 0.00 H new ATOM 0 HA LEU A 617 -12.277 -2.660 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 617 -11.488 -1.193 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 617 -10.357 -1.519 1.892 1.00 0.00 H new ATOM 0 HG LEU A 617 -12.941 -0.115 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 617 -11.947 2.051 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 617 -12.171 1.041 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 617 -10.552 1.224 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 617 -11.423 0.946 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 617 -10.035 0.102 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 617 -11.312 -0.828 -0.553 1.00 0.00 H new ATOM 100 N SER A 618 -10.906 -4.566 1.503 1.00 0.00 N ATOM 101 CA SER A 618 -10.198 -5.729 1.983 1.00 0.00 C ATOM 102 C SER A 618 -8.933 -5.282 2.725 1.00 0.00 C ATOM 103 O SER A 618 -8.479 -4.137 2.561 1.00 0.00 O ATOM 104 CB SER A 618 -9.819 -6.569 0.769 1.00 0.00 C ATOM 105 OG SER A 618 -10.974 -7.223 0.309 1.00 0.00 O ATOM 0 H SER A 618 -10.847 -4.420 0.495 1.00 0.00 H new ATOM 0 HA SER A 618 -10.817 -6.309 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 618 -9.402 -5.937 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 618 -9.051 -7.296 1.034 1.00 0.00 H new ATOM 0 HG SER A 618 -10.751 -7.768 -0.474 1.00 0.00 H new ATOM 111 N PRO A 619 -8.349 -6.172 3.545 1.00 0.00 N ATOM 112 CA PRO A 619 -7.127 -5.855 4.256 1.00 0.00 C ATOM 113 C PRO A 619 -6.032 -5.646 3.211 1.00 0.00 C ATOM 114 O PRO A 619 -6.062 -6.257 2.135 1.00 0.00 O ATOM 115 CB PRO A 619 -6.831 -7.072 5.140 1.00 0.00 C ATOM 116 CG PRO A 619 -7.527 -8.217 4.414 1.00 0.00 C ATOM 117 CD PRO A 619 -8.766 -7.534 3.841 1.00 0.00 C ATOM 0 HA PRO A 619 -7.195 -4.957 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 619 -5.760 -7.249 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 619 -7.222 -6.940 6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 619 -6.899 -8.644 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 619 -7.788 -9.030 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 619 -9.116 -8.043 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 619 -9.589 -7.547 4.556 1.00 0.00 H new ATOM 125 N TRP A 620 -5.072 -4.775 3.511 1.00 0.00 N ATOM 126 CA TRP A 620 -3.988 -4.553 2.573 1.00 0.00 C ATOM 127 C TRP A 620 -3.133 -5.817 2.497 1.00 0.00 C ATOM 128 O TRP A 620 -3.105 -6.637 3.426 1.00 0.00 O ATOM 129 CB TRP A 620 -3.079 -3.408 3.019 1.00 0.00 C ATOM 130 CG TRP A 620 -3.639 -2.024 3.051 1.00 0.00 C ATOM 131 CD1 TRP A 620 -4.138 -1.399 4.138 1.00 0.00 C ATOM 132 CD2 TRP A 620 -3.570 -1.005 2.015 1.00 0.00 C ATOM 133 NE1 TRP A 620 -4.469 -0.097 3.823 1.00 0.00 N ATOM 134 CE2 TRP A 620 -4.104 0.213 2.533 1.00 0.00 C ATOM 135 CE3 TRP A 620 -3.030 -0.969 0.715 1.00 0.00 C ATOM 136 CZ2 TRP A 620 -4.114 1.402 1.791 1.00 0.00 C ATOM 137 CZ3 TRP A 620 -3.031 0.219 -0.034 1.00 0.00 C ATOM 138 CH2 TRP A 620 -3.576 1.402 0.493 1.00 0.00 C ATOM 0 H TRP A 620 -5.025 -4.228 4.371 1.00 0.00 H new ATOM 0 HA TRP A 620 -4.430 -4.302 1.609 1.00 0.00 H new ATOM 0 HB2 TRP A 620 -2.718 -3.643 4.020 1.00 0.00 H new ATOM 0 HB3 TRP A 620 -2.210 -3.399 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 620 -4.260 -1.851 5.111 1.00 0.00 H new ATOM 0 HE1 TRP A 620 -4.925 0.552 4.464 1.00 0.00 H new ATOM 0 HE3 TRP A 620 -2.609 -1.867 0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 620 -4.530 2.306 2.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 620 -2.608 0.223 -1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 620 -3.581 2.307 -0.097 1.00 0.00 H new ATOM 149 N SER A 621 -2.456 -5.986 1.366 1.00 0.00 N ATOM 150 CA SER A 621 -1.550 -7.091 1.153 1.00 0.00 C ATOM 151 C SER A 621 -0.297 -6.715 1.960 1.00 0.00 C ATOM 152 O SER A 621 -0.261 -5.758 2.754 1.00 0.00 O ATOM 153 CB SER A 621 -1.277 -7.275 -0.349 1.00 0.00 C ATOM 154 OG SER A 621 -0.605 -8.491 -0.636 1.00 0.00 O ATOM 0 H SER A 621 -2.526 -5.351 0.571 1.00 0.00 H new ATOM 0 HA SER A 621 -1.945 -8.052 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 621 -2.222 -7.249 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 621 -0.678 -6.439 -0.711 1.00 0.00 H new ATOM 0 HG SER A 621 -0.456 -8.562 -1.602 1.00 0.00 H new ATOM 160 N GLU A 622 0.748 -7.509 1.841 1.00 0.00 N ATOM 161 CA GLU A 622 1.976 -7.257 2.561 1.00 0.00 C ATOM 162 C GLU A 622 2.936 -6.373 1.773 1.00 0.00 C ATOM 163 O GLU A 622 3.005 -6.386 0.540 1.00 0.00 O ATOM 164 CB GLU A 622 2.602 -8.587 2.954 1.00 0.00 C ATOM 165 CG GLU A 622 3.085 -9.383 1.743 1.00 0.00 C ATOM 166 CD GLU A 622 3.792 -10.658 2.163 1.00 0.00 C ATOM 167 OE1 GLU A 622 3.359 -11.297 3.153 1.00 0.00 O ATOM 168 OE2 GLU A 622 4.789 -10.996 1.482 1.00 0.00 O ATOM 0 H GLU A 622 0.769 -8.339 1.248 1.00 0.00 H new ATOM 0 HA GLU A 622 1.746 -6.696 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 622 3.442 -8.406 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 622 1.873 -9.179 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 622 2.236 -9.629 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 622 3.762 -8.769 1.149 1.00 0.00 H new ATOM 175 N TRP A 623 3.684 -5.592 2.536 1.00 0.00 N ATOM 176 CA TRP A 623 4.701 -4.689 2.056 1.00 0.00 C ATOM 177 C TRP A 623 5.906 -5.486 1.556 1.00 0.00 C ATOM 178 O TRP A 623 6.090 -6.667 1.877 1.00 0.00 O ATOM 179 CB TRP A 623 5.162 -3.830 3.243 1.00 0.00 C ATOM 180 CG TRP A 623 4.314 -2.643 3.540 1.00 0.00 C ATOM 181 CD1 TRP A 623 3.575 -2.410 4.647 1.00 0.00 C ATOM 182 CD2 TRP A 623 4.167 -1.468 2.708 1.00 0.00 C ATOM 183 NE1 TRP A 623 2.975 -1.168 4.540 1.00 0.00 N ATOM 184 CE2 TRP A 623 3.305 -0.538 3.356 1.00 0.00 C ATOM 185 CE3 TRP A 623 4.693 -1.111 1.455 1.00 0.00 C ATOM 186 CZ2 TRP A 623 2.959 0.690 2.764 1.00 0.00 C ATOM 187 CZ3 TRP A 623 4.383 0.125 0.879 1.00 0.00 C ATOM 188 CH2 TRP A 623 3.500 1.009 1.505 1.00 0.00 C ATOM 0 H TRP A 623 3.589 -5.575 3.551 1.00 0.00 H new ATOM 0 HA TRP A 623 4.303 -4.077 1.246 1.00 0.00 H new ATOM 0 HB2 TRP A 623 5.200 -4.460 4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 623 6.179 -3.489 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 623 3.469 -3.086 5.483 1.00 0.00 H new ATOM 0 HE1 TRP A 623 2.363 -0.766 5.250 1.00 0.00 H new ATOM 0 HE3 TRP A 623 5.343 -1.797 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 623 2.291 1.375 3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 623 4.833 0.400 -0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 623 3.233 1.937 1.022 1.00 0.00 H new ATOM 199 N SER A 624 6.739 -4.818 0.768 1.00 0.00 N ATOM 200 CA SER A 624 7.971 -5.384 0.260 1.00 0.00 C ATOM 201 C SER A 624 9.077 -4.904 1.202 1.00 0.00 C ATOM 202 O SER A 624 8.817 -4.185 2.176 1.00 0.00 O ATOM 203 CB SER A 624 8.210 -4.893 -1.169 1.00 0.00 C ATOM 204 OG SER A 624 9.020 -5.823 -1.855 1.00 0.00 O ATOM 0 H SER A 624 6.572 -3.859 0.464 1.00 0.00 H new ATOM 0 HA SER A 624 7.941 -6.473 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 624 7.259 -4.771 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 624 8.692 -3.916 -1.154 1.00 0.00 H new ATOM 0 HG SER A 624 9.173 -5.511 -2.771 1.00 0.00 H new ATOM 210 N ASP A 625 10.312 -5.327 0.963 1.00 0.00 N ATOM 211 CA ASP A 625 11.439 -4.887 1.781 1.00 0.00 C ATOM 212 C ASP A 625 11.668 -3.454 1.315 1.00 0.00 C ATOM 213 O ASP A 625 11.493 -2.514 2.088 1.00 0.00 O ATOM 214 CB ASP A 625 12.650 -5.810 1.634 1.00 0.00 C ATOM 215 CG ASP A 625 12.426 -7.047 2.502 1.00 0.00 C ATOM 216 OD1 ASP A 625 11.732 -7.976 2.024 1.00 0.00 O ATOM 217 OD2 ASP A 625 12.854 -7.031 3.677 1.00 0.00 O ATOM 0 H ASP A 625 10.560 -5.972 0.213 1.00 0.00 H new ATOM 0 HA ASP A 625 11.249 -4.927 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 625 12.782 -6.098 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 625 13.560 -5.293 1.939 1.00 0.00 H new ATOM 222 N CYS A 626 11.992 -3.280 0.032 1.00 0.00 N ATOM 223 CA CYS A 626 12.202 -2.005 -0.629 1.00 0.00 C ATOM 224 C CYS A 626 12.330 -2.274 -2.122 1.00 0.00 C ATOM 225 O CYS A 626 12.846 -3.324 -2.510 1.00 0.00 O ATOM 226 CB CYS A 626 13.442 -1.278 -0.109 1.00 0.00 C ATOM 227 SG CYS A 626 13.362 0.523 -0.309 1.00 0.00 S ATOM 0 H CYS A 626 12.120 -4.070 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 626 11.355 -1.351 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 626 13.575 -1.513 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 626 14.321 -1.655 -0.632 1.00 0.00 H new ATOM 232 N SER A 627 11.914 -1.326 -2.959 1.00 0.00 N ATOM 233 CA SER A 627 12.001 -1.448 -4.412 1.00 0.00 C ATOM 234 C SER A 627 13.406 -1.033 -4.897 1.00 0.00 C ATOM 235 O SER A 627 13.556 -0.530 -6.008 1.00 0.00 O ATOM 236 CB SER A 627 10.898 -0.599 -5.061 1.00 0.00 C ATOM 237 OG SER A 627 9.657 -0.729 -4.390 1.00 0.00 O ATOM 0 H SER A 627 11.504 -0.446 -2.646 1.00 0.00 H new ATOM 0 HA SER A 627 11.849 -2.486 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 627 11.201 0.448 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 627 10.779 -0.897 -6.103 1.00 0.00 H new ATOM 0 HG SER A 627 8.985 -0.171 -4.835 1.00 0.00 H new ATOM 243 N VAL A 628 14.429 -1.133 -4.039 1.00 0.00 N ATOM 244 CA VAL A 628 15.809 -0.792 -4.332 1.00 0.00 C ATOM 245 C VAL A 628 16.717 -1.712 -3.508 1.00 0.00 C ATOM 246 O VAL A 628 16.282 -2.280 -2.503 1.00 0.00 O ATOM 247 CB VAL A 628 16.031 0.719 -4.049 1.00 0.00 C ATOM 248 CG1 VAL A 628 16.442 1.095 -2.612 1.00 0.00 C ATOM 249 CG2 VAL A 628 17.083 1.277 -4.997 1.00 0.00 C ATOM 0 H VAL A 628 14.302 -1.469 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 628 16.055 -0.949 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 628 15.045 1.157 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 628 16.567 2.175 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 628 15.668 0.772 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 628 17.382 0.604 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 628 17.232 2.337 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 628 18.022 0.744 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 628 16.749 1.151 -6.027 1.00 0.00 H new ATOM 259 N THR A 629 17.986 -1.805 -3.902 1.00 0.00 N ATOM 260 CA THR A 629 19.029 -2.609 -3.255 1.00 0.00 C ATOM 261 C THR A 629 20.008 -1.717 -2.491 1.00 0.00 C ATOM 262 O THR A 629 20.741 -2.191 -1.620 1.00 0.00 O ATOM 263 CB THR A 629 19.800 -3.339 -4.365 1.00 0.00 C ATOM 264 OG1 THR A 629 18.896 -4.109 -5.136 1.00 0.00 O ATOM 265 CG2 THR A 629 20.952 -4.231 -3.904 1.00 0.00 C ATOM 0 H THR A 629 18.334 -1.300 -4.717 1.00 0.00 H new ATOM 0 HA THR A 629 18.572 -3.304 -2.551 1.00 0.00 H new ATOM 0 HB THR A 629 20.270 -2.547 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 629 19.386 -4.574 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 629 21.423 -4.694 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 629 21.687 -3.629 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 629 20.569 -5.007 -3.241 1.00 0.00 H new ATOM 273 N CYS A 630 20.033 -0.419 -2.798 1.00 0.00 N ATOM 274 CA CYS A 630 20.936 0.511 -2.169 1.00 0.00 C ATOM 275 C CYS A 630 20.416 1.932 -2.227 1.00 0.00 C ATOM 276 O CYS A 630 19.672 2.307 -3.136 1.00 0.00 O ATOM 277 CB CYS A 630 22.243 0.443 -2.940 1.00 0.00 C ATOM 278 SG CYS A 630 22.073 0.776 -4.717 1.00 0.00 S ATOM 0 H CYS A 630 19.420 0.006 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 630 21.053 0.246 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 630 22.943 1.161 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 630 22.680 -0.547 -2.807 1.00 0.00 H new ATOM 283 N GLY A 631 20.913 2.738 -1.303 1.00 0.00 N ATOM 284 CA GLY A 631 20.609 4.136 -1.158 1.00 0.00 C ATOM 285 C GLY A 631 19.125 4.393 -0.913 1.00 0.00 C ATOM 286 O GLY A 631 18.342 3.494 -0.596 1.00 0.00 O ATOM 0 H GLY A 631 21.574 2.408 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 631 21.186 4.545 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 631 20.922 4.667 -2.057 1.00 0.00 H new ATOM 290 N LYS A 632 18.727 5.658 -1.052 1.00 0.00 N ATOM 291 CA LYS A 632 17.348 6.079 -0.865 1.00 0.00 C ATOM 292 C LYS A 632 16.474 5.312 -1.846 1.00 0.00 C ATOM 293 O LYS A 632 16.798 5.187 -3.033 1.00 0.00 O ATOM 294 CB LYS A 632 17.217 7.608 -1.019 1.00 0.00 C ATOM 295 CG LYS A 632 15.794 8.121 -0.718 1.00 0.00 C ATOM 296 CD LYS A 632 14.882 8.203 -1.957 1.00 0.00 C ATOM 297 CE LYS A 632 13.414 8.264 -1.520 1.00 0.00 C ATOM 298 NZ LYS A 632 12.485 8.346 -2.667 1.00 0.00 N ATOM 0 H LYS A 632 19.359 6.419 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 632 17.013 5.850 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 632 17.924 8.098 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 632 17.493 7.891 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 632 15.331 7.465 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 632 15.864 9.110 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 632 15.132 9.085 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 632 15.044 7.336 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 632 13.178 7.380 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 632 13.266 9.130 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 11.608 7.834 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 12.263 9.343 -2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 12.929 7.919 -3.505 1.00 0.00 H new ATOM 312 N GLY A 633 15.329 4.867 -1.352 1.00 0.00 N ATOM 313 CA GLY A 633 14.333 4.127 -2.075 1.00 0.00 C ATOM 314 C GLY A 633 12.981 4.328 -1.396 1.00 0.00 C ATOM 315 O GLY A 633 12.807 5.208 -0.541 1.00 0.00 O ATOM 0 H GLY A 633 15.065 5.027 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 633 14.289 4.465 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 633 14.591 3.068 -2.096 1.00 0.00 H new ATOM 319 N MET A 634 12.000 3.546 -1.822 1.00 0.00 N ATOM 320 CA MET A 634 10.644 3.516 -1.299 1.00 0.00 C ATOM 321 C MET A 634 9.986 2.266 -1.857 1.00 0.00 C ATOM 322 O MET A 634 10.355 1.822 -2.947 1.00 0.00 O ATOM 323 CB MET A 634 9.847 4.799 -1.559 1.00 0.00 C ATOM 324 CG MET A 634 9.747 5.287 -2.994 1.00 0.00 C ATOM 325 SD MET A 634 9.286 7.040 -3.031 1.00 0.00 S ATOM 326 CE MET A 634 7.638 6.954 -2.281 1.00 0.00 C ATOM 0 H MET A 634 12.137 2.880 -2.582 1.00 0.00 H new ATOM 0 HA MET A 634 10.669 3.474 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 634 8.835 4.647 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 634 10.291 5.597 -0.963 1.00 0.00 H new ATOM 0 HG2 MET A 634 10.701 5.144 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 634 9.007 4.698 -3.535 1.00 0.00 H new ATOM 0 HE1 MET A 634 7.188 7.947 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 634 7.011 6.274 -2.857 1.00 0.00 H new ATOM 0 HE3 MET A 634 7.723 6.590 -1.257 1.00 0.00 H new ATOM 336 N ARG A 635 9.094 1.661 -1.077 1.00 0.00 N ATOM 337 CA ARG A 635 8.353 0.458 -1.427 1.00 0.00 C ATOM 338 C ARG A 635 6.923 0.845 -1.727 1.00 0.00 C ATOM 339 O ARG A 635 6.505 1.939 -1.349 1.00 0.00 O ATOM 340 CB ARG A 635 8.384 -0.561 -0.281 1.00 0.00 C ATOM 341 CG ARG A 635 8.063 0.022 1.103 1.00 0.00 C ATOM 342 CD ARG A 635 8.077 -1.129 2.099 1.00 0.00 C ATOM 343 NE ARG A 635 7.592 -0.711 3.414 1.00 0.00 N ATOM 344 CZ ARG A 635 7.701 -1.453 4.523 1.00 0.00 C ATOM 345 NH1 ARG A 635 8.363 -2.605 4.516 1.00 0.00 N ATOM 346 NH2 ARG A 635 7.143 -1.056 5.651 1.00 0.00 N ATOM 0 H ARG A 635 8.860 2.011 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 635 8.814 -0.004 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 635 7.671 -1.356 -0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 635 9.372 -1.020 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 635 8.798 0.778 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 635 7.089 0.511 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 635 7.456 -1.943 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 635 9.091 -1.518 2.192 1.00 0.00 H new ATOM 0 HE ARG A 635 7.143 0.202 3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 635 8.799 -2.938 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 635 8.435 -3.157 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 635 6.624 -0.178 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 635 7.230 -1.627 6.492 1.00 0.00 H new ATOM 360 N THR A 636 6.166 -0.078 -2.305 1.00 0.00 N ATOM 361 CA THR A 636 4.774 0.114 -2.659 1.00 0.00 C ATOM 362 C THR A 636 3.986 -1.166 -2.346 1.00 0.00 C ATOM 363 O THR A 636 4.578 -2.240 -2.215 1.00 0.00 O ATOM 364 CB THR A 636 4.702 0.493 -4.146 1.00 0.00 C ATOM 365 OG1 THR A 636 5.442 -0.427 -4.938 1.00 0.00 O ATOM 366 CG2 THR A 636 5.293 1.881 -4.420 1.00 0.00 C ATOM 0 H THR A 636 6.517 -1.005 -2.545 1.00 0.00 H new ATOM 0 HA THR A 636 4.326 0.919 -2.077 1.00 0.00 H new ATOM 0 HB THR A 636 3.643 0.480 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 636 5.382 -0.169 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 636 5.219 2.104 -5.484 1.00 0.00 H new ATOM 0 HG22 THR A 636 4.740 2.630 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 636 6.340 1.897 -4.118 1.00 0.00 H new ATOM 374 N ARG A 637 2.667 -1.056 -2.168 1.00 0.00 N ATOM 375 CA ARG A 637 1.751 -2.171 -1.912 1.00 0.00 C ATOM 376 C ARG A 637 0.354 -1.696 -2.317 1.00 0.00 C ATOM 377 O ARG A 637 0.043 -0.512 -2.154 1.00 0.00 O ATOM 378 CB ARG A 637 1.822 -2.709 -0.457 1.00 0.00 C ATOM 379 CG ARG A 637 1.135 -1.865 0.635 1.00 0.00 C ATOM 380 CD ARG A 637 0.833 -2.633 1.927 1.00 0.00 C ATOM 381 NE ARG A 637 0.218 -1.749 2.928 1.00 0.00 N ATOM 382 CZ ARG A 637 -0.259 -2.118 4.118 1.00 0.00 C ATOM 383 NH1 ARG A 637 -0.179 -3.384 4.505 1.00 0.00 N ATOM 384 NH2 ARG A 637 -0.830 -1.203 4.890 1.00 0.00 N ATOM 0 H ARG A 637 2.190 -0.155 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 637 2.041 -3.037 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 637 1.381 -3.706 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 637 2.872 -2.821 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 637 1.771 -1.012 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 637 0.202 -1.466 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 637 0.165 -3.467 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 637 1.754 -3.057 2.327 1.00 0.00 H new ATOM 0 HE ARG A 637 0.150 -0.760 2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 637 0.248 -4.079 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.545 -3.663 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.898 -0.237 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -1.201 -1.466 5.803 1.00 0.00 H new ATOM 398 N GLN A 638 -0.492 -2.586 -2.828 1.00 0.00 N ATOM 399 CA GLN A 638 -1.852 -2.265 -3.237 1.00 0.00 C ATOM 400 C GLN A 638 -2.838 -3.340 -2.800 1.00 0.00 C ATOM 401 O GLN A 638 -2.462 -4.449 -2.414 1.00 0.00 O ATOM 402 CB GLN A 638 -1.920 -2.026 -4.751 1.00 0.00 C ATOM 403 CG GLN A 638 -2.002 -3.325 -5.572 1.00 0.00 C ATOM 404 CD GLN A 638 -1.701 -3.111 -7.050 1.00 0.00 C ATOM 405 OE1 GLN A 638 -1.724 -1.998 -7.568 1.00 0.00 O ATOM 406 NE2 GLN A 638 -1.420 -4.176 -7.770 1.00 0.00 N ATOM 0 H GLN A 638 -0.246 -3.566 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 638 -2.142 -1.342 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 638 -2.789 -1.408 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 638 -1.040 -1.463 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 638 -1.299 -4.052 -5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 638 -2.999 -3.753 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 638 -1.403 -5.097 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 638 -1.219 -4.080 -8.765 1.00 0.00 H new ATOM 415 N ARG A 639 -4.115 -3.004 -2.840 1.00 0.00 N ATOM 416 CA ARG A 639 -5.230 -3.865 -2.483 1.00 0.00 C ATOM 417 C ARG A 639 -6.360 -3.588 -3.458 1.00 0.00 C ATOM 418 O ARG A 639 -6.268 -2.676 -4.279 1.00 0.00 O ATOM 419 CB ARG A 639 -5.654 -3.620 -1.027 1.00 0.00 C ATOM 420 CG ARG A 639 -6.182 -2.197 -0.793 1.00 0.00 C ATOM 421 CD ARG A 639 -6.829 -2.063 0.583 1.00 0.00 C ATOM 422 NE ARG A 639 -7.231 -0.672 0.787 1.00 0.00 N ATOM 423 CZ ARG A 639 -7.663 -0.109 1.912 1.00 0.00 C ATOM 424 NH1 ARG A 639 -7.918 -0.824 3.009 1.00 0.00 N ATOM 425 NH2 ARG A 639 -7.835 1.200 1.890 1.00 0.00 N ATOM 0 H ARG A 639 -4.418 -2.077 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 639 -4.945 -4.915 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -6.426 -4.339 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -4.803 -3.800 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -5.363 -1.484 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -6.909 -1.945 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -7.696 -2.720 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -6.129 -2.370 1.360 1.00 0.00 H new ATOM 0 HE ARG A 639 -7.173 -0.062 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -7.783 -1.835 3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -8.248 -0.360 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -7.638 1.726 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -8.165 1.685 2.724 1.00 0.00 H new ATOM 439 N MET A 640 -7.440 -4.343 -3.329 1.00 0.00 N ATOM 440 CA MET A 640 -8.606 -4.220 -4.182 1.00 0.00 C ATOM 441 C MET A 640 -9.836 -4.065 -3.283 1.00 0.00 C ATOM 442 O MET A 640 -9.836 -4.510 -2.128 1.00 0.00 O ATOM 443 CB MET A 640 -8.644 -5.468 -5.079 1.00 0.00 C ATOM 444 CG MET A 640 -7.424 -5.548 -6.015 1.00 0.00 C ATOM 445 SD MET A 640 -7.104 -7.179 -6.734 1.00 0.00 S ATOM 446 CE MET A 640 -8.497 -7.269 -7.882 1.00 0.00 C ATOM 0 H MET A 640 -7.530 -5.068 -2.617 1.00 0.00 H new ATOM 0 HA MET A 640 -8.580 -3.346 -4.833 1.00 0.00 H new ATOM 0 HB2 MET A 640 -8.680 -6.361 -4.455 1.00 0.00 H new ATOM 0 HB3 MET A 640 -9.557 -5.458 -5.675 1.00 0.00 H new ATOM 0 HG2 MET A 640 -7.562 -4.833 -6.826 1.00 0.00 H new ATOM 0 HG3 MET A 640 -6.540 -5.234 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 640 -8.464 -8.216 -8.420 1.00 0.00 H new ATOM 0 HE2 MET A 640 -9.432 -7.199 -7.326 1.00 0.00 H new ATOM 0 HE3 MET A 640 -8.436 -6.445 -8.593 1.00 0.00 H new ATOM 456 N LEU A 641 -10.849 -3.351 -3.772 1.00 0.00 N ATOM 457 CA LEU A 641 -12.106 -3.124 -3.063 1.00 0.00 C ATOM 458 C LEU A 641 -12.861 -4.459 -3.068 1.00 0.00 C ATOM 459 O LEU A 641 -12.584 -5.342 -3.890 1.00 0.00 O ATOM 460 CB LEU A 641 -12.873 -1.983 -3.768 1.00 0.00 C ATOM 461 CG LEU A 641 -14.177 -1.504 -3.097 1.00 0.00 C ATOM 462 CD1 LEU A 641 -13.967 -0.988 -1.674 1.00 0.00 C ATOM 463 CD2 LEU A 641 -14.811 -0.359 -3.894 1.00 0.00 C ATOM 0 H LEU A 641 -10.818 -2.906 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 641 -11.966 -2.810 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 641 -12.203 -1.128 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 641 -13.112 -2.309 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 641 -14.822 -2.382 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 641 -14.922 -0.667 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 641 -13.552 -1.784 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 641 -13.277 -0.145 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 641 -15.729 -0.038 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 641 -14.115 0.478 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 641 -15.041 -0.702 -4.903 1.00 0.00 H new ATOM 475 N LYS A 642 -13.821 -4.648 -2.161 1.00 0.00 N ATOM 476 CA LYS A 642 -14.588 -5.888 -2.098 1.00 0.00 C ATOM 477 C LYS A 642 -16.063 -5.624 -1.832 1.00 0.00 C ATOM 478 O LYS A 642 -16.789 -6.498 -1.342 1.00 0.00 O ATOM 479 CB LYS A 642 -13.905 -6.801 -1.074 1.00 0.00 C ATOM 480 CG LYS A 642 -14.176 -8.279 -1.319 1.00 0.00 C ATOM 481 CD LYS A 642 -13.367 -8.795 -2.511 1.00 0.00 C ATOM 482 CE LYS A 642 -14.103 -9.869 -3.295 1.00 0.00 C ATOM 483 NZ LYS A 642 -14.429 -11.044 -2.472 1.00 0.00 N ATOM 0 H LYS A 642 -14.084 -3.955 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 642 -14.590 -6.402 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 642 -12.830 -6.626 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 642 -14.247 -6.536 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 642 -13.922 -8.852 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 642 -15.239 -8.432 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 642 -13.133 -7.962 -3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 642 -12.418 -9.196 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 642 -15.022 -9.450 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 642 -13.490 -10.181 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 642 -14.869 -11.774 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 642 -13.559 -11.422 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 642 -15.090 -10.767 -1.719 1.00 0.00 H new ATOM 497 N SER A 643 -16.513 -4.402 -2.109 1.00 0.00 N ATOM 498 CA SER A 643 -17.898 -4.035 -1.911 1.00 0.00 C ATOM 499 C SER A 643 -18.799 -4.875 -2.830 1.00 0.00 C ATOM 500 O SER A 643 -18.346 -5.524 -3.779 1.00 0.00 O ATOM 501 CB SER A 643 -18.055 -2.521 -2.120 1.00 0.00 C ATOM 502 OG SER A 643 -19.416 -2.160 -1.953 1.00 0.00 O ATOM 0 H SER A 643 -15.928 -3.650 -2.473 1.00 0.00 H new ATOM 0 HA SER A 643 -18.213 -4.252 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 643 -17.434 -1.978 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 643 -17.714 -2.243 -3.117 1.00 0.00 H new ATOM 0 HG SER A 643 -19.517 -1.194 -2.084 1.00 0.00 H new ATOM 508 N LEU A 644 -20.094 -4.884 -2.517 1.00 0.00 N ATOM 509 CA LEU A 644 -21.132 -5.579 -3.259 1.00 0.00 C ATOM 510 C LEU A 644 -21.697 -4.680 -4.359 1.00 0.00 C ATOM 511 O LEU A 644 -22.448 -5.164 -5.202 1.00 0.00 O ATOM 512 CB LEU A 644 -22.255 -6.049 -2.310 1.00 0.00 C ATOM 513 CG LEU A 644 -23.303 -5.001 -1.872 1.00 0.00 C ATOM 514 CD1 LEU A 644 -24.398 -5.704 -1.060 1.00 0.00 C ATOM 515 CD2 LEU A 644 -22.745 -3.845 -1.033 1.00 0.00 C ATOM 0 H LEU A 644 -20.458 -4.385 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 644 -20.690 -6.458 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 644 -22.783 -6.871 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 644 -21.789 -6.455 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 644 -23.684 -4.557 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 644 -25.143 -4.974 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 644 -24.875 -6.467 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 644 -23.955 -6.172 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 644 -23.553 -3.161 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 644 -22.297 -4.240 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 644 -21.988 -3.311 -1.607 1.00 0.00 H new ATOM 527 N ALA A 645 -21.349 -3.387 -4.355 1.00 0.00 N ATOM 528 CA ALA A 645 -21.837 -2.424 -5.327 1.00 0.00 C ATOM 529 C ALA A 645 -20.806 -1.385 -5.770 1.00 0.00 C ATOM 530 O ALA A 645 -21.170 -0.571 -6.609 1.00 0.00 O ATOM 531 CB ALA A 645 -23.071 -1.734 -4.732 1.00 0.00 C ATOM 0 H ALA A 645 -20.714 -2.984 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 645 -22.080 -2.976 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 645 -23.458 -1.004 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 645 -23.839 -2.479 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 645 -22.794 -1.228 -3.807 1.00 0.00 H new ATOM 537 N GLU A 646 -19.569 -1.401 -5.254 1.00 0.00 N ATOM 538 CA GLU A 646 -18.489 -0.457 -5.589 1.00 0.00 C ATOM 539 C GLU A 646 -18.975 0.982 -5.441 1.00 0.00 C ATOM 540 O GLU A 646 -19.467 1.623 -6.368 1.00 0.00 O ATOM 541 CB GLU A 646 -17.849 -0.731 -6.958 1.00 0.00 C ATOM 542 CG GLU A 646 -17.397 -2.186 -7.095 1.00 0.00 C ATOM 543 CD GLU A 646 -16.228 -2.592 -6.196 1.00 0.00 C ATOM 544 OE1 GLU A 646 -16.474 -2.998 -5.037 1.00 0.00 O ATOM 545 OE2 GLU A 646 -15.073 -2.627 -6.675 1.00 0.00 O ATOM 0 H GLU A 646 -19.281 -2.097 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 646 -17.684 -0.614 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 646 -18.564 -0.497 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 646 -16.993 -0.070 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 646 -18.245 -2.835 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 646 -17.116 -2.366 -8.133 1.00 0.00 H new ATOM 552 N LEU A 647 -18.936 1.432 -4.193 1.00 0.00 N ATOM 553 CA LEU A 647 -19.347 2.780 -3.799 1.00 0.00 C ATOM 554 C LEU A 647 -18.497 3.857 -4.479 1.00 0.00 C ATOM 555 O LEU A 647 -17.497 3.578 -5.140 1.00 0.00 O ATOM 556 CB LEU A 647 -19.406 2.965 -2.269 1.00 0.00 C ATOM 557 CG LEU A 647 -18.082 3.070 -1.493 1.00 0.00 C ATOM 558 CD1 LEU A 647 -18.460 3.214 -0.019 1.00 0.00 C ATOM 559 CD2 LEU A 647 -17.164 1.853 -1.660 1.00 0.00 C ATOM 0 H LEU A 647 -18.613 0.863 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 647 -20.369 2.905 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -19.982 3.868 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -19.968 2.128 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 647 -17.519 3.919 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -17.555 3.293 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -19.065 4.111 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -19.031 2.341 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -16.252 2.003 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -17.676 0.959 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -16.911 1.730 -2.713 1.00 0.00 H new ATOM 571 N GLY A 648 -18.925 5.102 -4.316 1.00 0.00 N ATOM 572 CA GLY A 648 -18.299 6.303 -4.839 1.00 0.00 C ATOM 573 C GLY A 648 -18.450 7.452 -3.854 1.00 0.00 C ATOM 574 O GLY A 648 -18.288 8.606 -4.243 1.00 0.00 O ATOM 0 H GLY A 648 -19.769 5.310 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 648 -17.242 6.116 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 648 -18.753 6.571 -5.793 1.00 0.00 H new ATOM 578 N ASP A 649 -18.804 7.159 -2.603 1.00 0.00 N ATOM 579 CA ASP A 649 -19.017 8.117 -1.524 1.00 0.00 C ATOM 580 C ASP A 649 -17.953 7.970 -0.434 1.00 0.00 C ATOM 581 O ASP A 649 -18.148 8.428 0.692 1.00 0.00 O ATOM 582 CB ASP A 649 -20.444 7.955 -0.988 1.00 0.00 C ATOM 583 CG ASP A 649 -20.837 9.052 -0.004 1.00 0.00 C ATOM 584 OD1 ASP A 649 -20.578 10.242 -0.294 1.00 0.00 O ATOM 585 OD2 ASP A 649 -21.426 8.722 1.050 1.00 0.00 O ATOM 0 H ASP A 649 -18.957 6.197 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 649 -18.911 9.133 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -21.143 7.957 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -20.535 6.985 -0.499 1.00 0.00 H new ATOM 590 N CYS A 650 -16.852 7.275 -0.724 1.00 0.00 N ATOM 591 CA CYS A 650 -15.746 7.071 0.194 1.00 0.00 C ATOM 592 C CYS A 650 -14.499 7.562 -0.520 1.00 0.00 C ATOM 593 O CYS A 650 -14.355 7.402 -1.730 1.00 0.00 O ATOM 594 CB CYS A 650 -15.624 5.598 0.578 1.00 0.00 C ATOM 595 SG CYS A 650 -14.502 5.248 1.958 1.00 0.00 S ATOM 0 H CYS A 650 -16.708 6.829 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 650 -15.898 7.618 1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -16.615 5.223 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -15.286 5.039 -0.294 1.00 0.00 H new ATOM 600 N ASN A 651 -13.581 8.160 0.220 1.00 0.00 N ATOM 601 CA ASN A 651 -12.336 8.689 -0.309 1.00 0.00 C ATOM 602 C ASN A 651 -11.215 7.713 0.055 1.00 0.00 C ATOM 603 O ASN A 651 -10.172 8.103 0.573 1.00 0.00 O ATOM 604 CB ASN A 651 -12.166 10.113 0.236 1.00 0.00 C ATOM 605 CG ASN A 651 -11.054 10.857 -0.471 1.00 0.00 C ATOM 606 OD1 ASN A 651 -10.084 11.273 0.147 1.00 0.00 O ATOM 607 ND2 ASN A 651 -11.194 11.099 -1.762 1.00 0.00 N ATOM 0 H ASN A 651 -13.683 8.294 1.226 1.00 0.00 H new ATOM 0 HA ASN A 651 -12.320 8.773 -1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 651 -13.101 10.661 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 651 -11.953 10.070 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 651 -10.487 11.640 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 651 -12.009 10.744 -2.262 1.00 0.00 H new ATOM 614 N GLU A 652 -11.495 6.417 -0.108 1.00 0.00 N ATOM 615 CA GLU A 652 -10.590 5.314 0.192 1.00 0.00 C ATOM 616 C GLU A 652 -9.360 5.225 -0.723 1.00 0.00 C ATOM 617 O GLU A 652 -9.336 5.760 -1.837 1.00 0.00 O ATOM 618 CB GLU A 652 -11.391 4.007 0.164 1.00 0.00 C ATOM 619 CG GLU A 652 -11.929 3.626 -1.228 1.00 0.00 C ATOM 620 CD GLU A 652 -13.330 3.000 -1.212 1.00 0.00 C ATOM 621 OE1 GLU A 652 -13.653 2.225 -0.289 1.00 0.00 O ATOM 622 OE2 GLU A 652 -14.079 3.291 -2.173 1.00 0.00 O ATOM 0 H GLU A 652 -12.395 6.099 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 652 -10.176 5.500 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 652 -10.759 3.198 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 652 -12.230 4.093 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 652 -11.949 4.518 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 652 -11.236 2.926 -1.694 1.00 0.00 H new ATOM 629 N ASP A 653 -8.357 4.474 -0.255 1.00 0.00 N ATOM 630 CA ASP A 653 -7.080 4.236 -0.924 1.00 0.00 C ATOM 631 C ASP A 653 -7.015 2.805 -1.448 1.00 0.00 C ATOM 632 O ASP A 653 -7.502 1.881 -0.783 1.00 0.00 O ATOM 633 CB ASP A 653 -5.886 4.365 0.049 1.00 0.00 C ATOM 634 CG ASP A 653 -6.070 5.326 1.213 1.00 0.00 C ATOM 635 OD1 ASP A 653 -5.794 6.529 1.036 1.00 0.00 O ATOM 636 OD2 ASP A 653 -6.437 4.843 2.311 1.00 0.00 O ATOM 0 H ASP A 653 -8.420 3.994 0.643 1.00 0.00 H new ATOM 0 HA ASP A 653 -7.017 4.977 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 653 -5.664 3.377 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 653 -5.012 4.680 -0.521 1.00 0.00 H new ATOM 641 N LEU A 654 -6.312 2.600 -2.563 1.00 0.00 N ATOM 642 CA LEU A 654 -6.122 1.283 -3.172 1.00 0.00 C ATOM 643 C LEU A 654 -4.636 0.940 -3.230 1.00 0.00 C ATOM 644 O LEU A 654 -4.294 -0.230 -3.113 1.00 0.00 O ATOM 645 CB LEU A 654 -6.761 1.196 -4.568 1.00 0.00 C ATOM 646 CG LEU A 654 -8.305 1.170 -4.556 1.00 0.00 C ATOM 647 CD1 LEU A 654 -8.833 1.223 -5.994 1.00 0.00 C ATOM 648 CD2 LEU A 654 -8.879 -0.076 -3.865 1.00 0.00 C ATOM 0 H LEU A 654 -5.853 3.354 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 654 -6.629 0.550 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 654 -6.428 2.047 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 654 -6.397 0.298 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 654 -8.628 2.042 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 654 -9.923 1.204 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 654 -8.491 2.140 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 654 -8.461 0.362 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 654 -9.968 -0.036 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 654 -8.537 -0.971 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 654 -8.540 -0.107 -2.830 1.00 0.00 H new ATOM 660 N GLU A 655 -3.741 1.925 -3.331 1.00 0.00 N ATOM 661 CA GLU A 655 -2.300 1.715 -3.397 1.00 0.00 C ATOM 662 C GLU A 655 -1.607 2.766 -2.544 1.00 0.00 C ATOM 663 O GLU A 655 -2.101 3.893 -2.419 1.00 0.00 O ATOM 664 CB GLU A 655 -1.858 1.769 -4.859 1.00 0.00 C ATOM 665 CG GLU A 655 -0.335 1.722 -5.065 1.00 0.00 C ATOM 666 CD GLU A 655 0.058 1.158 -6.441 1.00 0.00 C ATOM 667 OE1 GLU A 655 -0.787 1.128 -7.364 1.00 0.00 O ATOM 668 OE2 GLU A 655 1.217 0.704 -6.577 1.00 0.00 O ATOM 0 H GLU A 655 -4.007 2.909 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 655 -2.026 0.736 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 655 -2.311 0.934 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 655 -2.245 2.683 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 655 0.074 2.727 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 655 0.115 1.110 -4.283 1.00 0.00 H new ATOM 675 N GLN A 656 -0.482 2.390 -1.937 1.00 0.00 N ATOM 676 CA GLN A 656 0.319 3.255 -1.094 1.00 0.00 C ATOM 677 C GLN A 656 1.799 2.917 -1.231 1.00 0.00 C ATOM 678 O GLN A 656 2.171 1.793 -1.576 1.00 0.00 O ATOM 679 CB GLN A 656 -0.111 3.112 0.379 1.00 0.00 C ATOM 680 CG GLN A 656 -1.183 4.144 0.738 1.00 0.00 C ATOM 681 CD GLN A 656 -1.643 4.081 2.191 1.00 0.00 C ATOM 682 OE1 GLN A 656 -0.973 3.521 3.061 1.00 0.00 O ATOM 683 NE2 GLN A 656 -2.808 4.625 2.481 1.00 0.00 N ATOM 0 H GLN A 656 -0.099 1.449 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 656 0.162 4.285 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 656 -0.495 2.107 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 656 0.755 3.240 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 656 -0.795 5.142 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 656 -2.046 3.998 0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 656 -3.352 5.085 1.751 1.00 0.00 H new ATOM 0 HE22 GLN A 656 -3.166 4.586 3.435 1.00 0.00 H new ATOM 692 N ALA A 657 2.629 3.894 -0.869 1.00 0.00 N ATOM 693 CA ALA A 657 4.080 3.836 -0.873 1.00 0.00 C ATOM 694 C ALA A 657 4.625 4.277 0.483 1.00 0.00 C ATOM 695 O ALA A 657 3.967 5.038 1.195 1.00 0.00 O ATOM 696 CB ALA A 657 4.655 4.758 -1.952 1.00 0.00 C ATOM 0 H ALA A 657 2.281 4.797 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 657 4.375 2.807 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 657 5.743 4.700 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 657 4.287 4.447 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 657 4.344 5.784 -1.757 1.00 0.00 H new ATOM 702 N GLU A 658 5.839 3.852 0.829 1.00 0.00 N ATOM 703 CA GLU A 658 6.508 4.216 2.078 1.00 0.00 C ATOM 704 C GLU A 658 8.007 4.282 1.807 1.00 0.00 C ATOM 705 O GLU A 658 8.523 3.463 1.043 1.00 0.00 O ATOM 706 CB GLU A 658 6.202 3.215 3.207 1.00 0.00 C ATOM 707 CG GLU A 658 6.579 3.786 4.586 1.00 0.00 C ATOM 708 CD GLU A 658 5.850 5.092 4.907 1.00 0.00 C ATOM 709 OE1 GLU A 658 4.645 5.061 5.243 1.00 0.00 O ATOM 710 OE2 GLU A 658 6.488 6.167 4.805 1.00 0.00 O ATOM 0 H GLU A 658 6.396 3.234 0.239 1.00 0.00 H new ATOM 0 HA GLU A 658 6.138 5.184 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 658 5.141 2.964 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 658 6.751 2.290 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 658 6.349 3.048 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 658 7.655 3.958 4.621 1.00 0.00 H new ATOM 717 N LYS A 659 8.712 5.269 2.367 1.00 0.00 N ATOM 718 CA LYS A 659 10.148 5.386 2.140 1.00 0.00 C ATOM 719 C LYS A 659 10.889 4.264 2.851 1.00 0.00 C ATOM 720 O LYS A 659 10.472 3.806 3.913 1.00 0.00 O ATOM 721 CB LYS A 659 10.714 6.771 2.504 1.00 0.00 C ATOM 722 CG LYS A 659 10.711 7.154 3.999 1.00 0.00 C ATOM 723 CD LYS A 659 9.470 7.911 4.474 1.00 0.00 C ATOM 724 CE LYS A 659 9.368 9.296 3.827 1.00 0.00 C ATOM 725 NZ LYS A 659 8.314 10.112 4.451 1.00 0.00 N ATOM 0 H LYS A 659 8.315 5.988 2.972 1.00 0.00 H new ATOM 0 HA LYS A 659 10.310 5.284 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 659 11.741 6.824 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 659 10.145 7.524 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 659 10.811 6.244 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 659 11.590 7.765 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 659 8.578 7.332 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 659 9.502 8.017 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 659 10.325 9.810 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 659 9.161 9.186 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 8.275 11.042 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 7.397 9.634 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 8.525 10.238 5.462 1.00 0.00 H new ATOM 739 N CYS A 660 11.990 3.828 2.257 1.00 0.00 N ATOM 740 CA CYS A 660 12.858 2.796 2.783 1.00 0.00 C ATOM 741 C CYS A 660 14.218 3.125 2.171 1.00 0.00 C ATOM 742 O CYS A 660 14.291 3.393 0.974 1.00 0.00 O ATOM 743 CB CYS A 660 12.320 1.387 2.482 1.00 0.00 C ATOM 744 SG CYS A 660 11.738 1.049 0.799 1.00 0.00 S ATOM 0 H CYS A 660 12.311 4.200 1.363 1.00 0.00 H new ATOM 0 HA CYS A 660 12.925 2.782 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 660 13.108 0.670 2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 660 11.496 1.189 3.168 1.00 0.00 H new ATOM 749 N MET A 661 15.292 3.188 2.950 1.00 0.00 N ATOM 750 CA MET A 661 16.606 3.538 2.433 1.00 0.00 C ATOM 751 C MET A 661 17.583 2.430 2.731 1.00 0.00 C ATOM 752 O MET A 661 17.864 2.109 3.885 1.00 0.00 O ATOM 753 CB MET A 661 17.129 4.874 2.975 1.00 0.00 C ATOM 754 CG MET A 661 16.104 6.018 2.973 1.00 0.00 C ATOM 755 SD MET A 661 14.771 5.996 4.216 1.00 0.00 S ATOM 756 CE MET A 661 15.725 5.705 5.733 1.00 0.00 C ATOM 0 H MET A 661 15.275 2.999 3.952 1.00 0.00 H new ATOM 0 HA MET A 661 16.504 3.663 1.355 1.00 0.00 H new ATOM 0 HB2 MET A 661 17.481 4.723 3.995 1.00 0.00 H new ATOM 0 HB3 MET A 661 17.992 5.177 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 661 16.651 6.953 3.091 1.00 0.00 H new ATOM 0 HG3 MET A 661 15.638 6.043 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 661 15.110 5.944 6.601 1.00 0.00 H new ATOM 0 HE2 MET A 661 16.026 4.658 5.779 1.00 0.00 H new ATOM 0 HE3 MET A 661 16.613 6.338 5.732 1.00 0.00 H new ATOM 766 N LEU A 662 18.035 1.798 1.660 1.00 0.00 N ATOM 767 CA LEU A 662 19.004 0.726 1.754 1.00 0.00 C ATOM 768 C LEU A 662 20.390 1.344 1.987 1.00 0.00 C ATOM 769 O LEU A 662 20.571 2.552 1.776 1.00 0.00 O ATOM 770 CB LEU A 662 18.930 -0.105 0.466 1.00 0.00 C ATOM 771 CG LEU A 662 17.912 -1.257 0.465 1.00 0.00 C ATOM 772 CD1 LEU A 662 18.447 -2.471 1.218 1.00 0.00 C ATOM 773 CD2 LEU A 662 16.540 -0.887 1.026 1.00 0.00 C ATOM 0 H LEU A 662 17.741 2.014 0.708 1.00 0.00 H new ATOM 0 HA LEU A 662 18.798 0.058 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 662 18.693 0.564 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 662 19.918 -0.520 0.267 1.00 0.00 H new ATOM 0 HG LEU A 662 17.771 -1.496 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 662 17.703 -3.268 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 662 19.364 -2.819 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 662 18.656 -2.195 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 662 15.885 -1.757 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 662 16.646 -0.558 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 662 16.109 -0.082 0.431 1.00 0.00 H new ATOM 785 N PRO A 663 21.377 0.539 2.411 1.00 0.00 N ATOM 786 CA PRO A 663 22.738 0.999 2.650 1.00 0.00 C ATOM 787 C PRO A 663 23.417 1.331 1.313 1.00 0.00 C ATOM 788 O PRO A 663 22.750 1.404 0.280 1.00 0.00 O ATOM 789 CB PRO A 663 23.409 -0.156 3.398 1.00 0.00 C ATOM 790 CG PRO A 663 22.687 -1.390 2.880 1.00 0.00 C ATOM 791 CD PRO A 663 21.268 -0.885 2.692 1.00 0.00 C ATOM 0 HA PRO A 663 22.796 1.916 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 663 24.478 -0.201 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 663 23.299 -0.051 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 663 23.117 -1.749 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 663 22.733 -2.215 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 663 20.775 -1.407 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 663 20.671 -1.061 3.587 1.00 0.00 H new ATOM 799 N GLU A 664 24.725 1.597 1.300 1.00 0.00 N ATOM 800 CA GLU A 664 25.408 1.906 0.043 1.00 0.00 C ATOM 801 C GLU A 664 25.262 0.758 -0.971 1.00 0.00 C ATOM 802 O GLU A 664 24.918 -0.371 -0.608 1.00 0.00 O ATOM 803 CB GLU A 664 26.891 2.226 0.275 1.00 0.00 C ATOM 804 CG GLU A 664 27.664 1.122 1.014 1.00 0.00 C ATOM 805 CD GLU A 664 27.905 1.539 2.464 1.00 0.00 C ATOM 806 OE1 GLU A 664 28.840 2.331 2.710 1.00 0.00 O ATOM 807 OE2 GLU A 664 27.118 1.145 3.362 1.00 0.00 O ATOM 0 H GLU A 664 25.322 1.605 2.127 1.00 0.00 H new ATOM 0 HA GLU A 664 24.929 2.792 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 664 27.368 2.405 -0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 664 26.967 3.152 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 664 27.101 0.189 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 664 28.616 0.937 0.516 1.00 0.00 H new ATOM 814 N CYS A 665 25.525 1.062 -2.244 1.00 0.00 N ATOM 815 CA CYS A 665 25.457 0.105 -3.350 1.00 0.00 C ATOM 816 C CYS A 665 26.786 -0.640 -3.550 1.00 0.00 C ATOM 817 O CYS A 665 27.725 -0.020 -4.062 1.00 0.00 O ATOM 818 CB CYS A 665 25.040 0.790 -4.661 1.00 0.00 C ATOM 819 SG CYS A 665 23.713 -0.085 -5.519 1.00 0.00 S ATOM 0 H CYS A 665 25.797 1.999 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 665 24.695 -0.626 -3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 665 24.717 1.809 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 665 25.906 0.862 -5.319 1.00 0.00 H new ATOM 824 N PRO A 666 26.884 -1.924 -3.159 1.00 0.00 N ATOM 825 CA PRO A 666 28.082 -2.732 -3.321 1.00 0.00 C ATOM 826 C PRO A 666 28.048 -3.426 -4.694 1.00 0.00 C ATOM 827 O PRO A 666 28.900 -4.306 -4.942 1.00 0.00 O ATOM 828 CB PRO A 666 27.970 -3.756 -2.189 1.00 0.00 C ATOM 829 CG PRO A 666 26.484 -4.098 -2.259 1.00 0.00 C ATOM 830 CD PRO A 666 25.851 -2.741 -2.537 1.00 0.00 C ATOM 0 HA PRO A 666 29.010 -2.162 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 666 28.603 -4.628 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 666 28.253 -3.337 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 666 26.269 -4.817 -3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 666 26.122 -4.532 -1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 666 24.988 -2.843 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 666 25.496 -2.282 -1.614 1.00 0.00 H new TER 838 PRO A 666