USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 869 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 692 HIS :FLIP no HD1:sc= -1.03 F(o=-2.2!,f=-1.3) USER MOD Set 1.2: A 696 HIS :FLIP no HD1:sc= -0.254 F(o=-3.3,f=-1.3) USER MOD Single : A 629 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 641 THR OG1 : rot 65:sc= -0.869! USER MOD Single : A 644 CYS SG : rot 54:sc= 0.244 USER MOD Single : A 646 MET CE :methyl 159:sc= -0.193 (180deg=-0.816) USER MOD Single : A 648 THR OG1 : rot 70:sc= 0.296! USER MOD Single : A 653 LYS NZ :NH3+ -159:sc= -2.87! (180deg=-4.3!) USER MOD Single : A 661 SER OG : rot 180:sc= 0 USER MOD Single : A 662 THR OG1 : rot 128:sc= 0.945 USER MOD Single : A 666 GLN : amide:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 671 GLN :FLIP amide:sc= -0.522 F(o=-1.7,f=-0.52) USER MOD Single : A 677 MET CE :methyl 170:sc= -0.326 (180deg=-0.565) USER MOD Single : A 684 GLN :FLIP amide:sc= -2.82! C(o=-4.7!,f=-2.8!) USER MOD Single : A 685 SER OG : rot 180:sc= 0 USER MOD Single : A 686 CYS SG : rot -53:sc= -2.1! USER MOD Single : A 691 GLN :FLIP amide:sc= -0.215 F(o=-2.4,f=-0.22) USER MOD Single : A 718 THR OG1 : rot 78:sc= 0.00922 USER MOD Single : A 720 GLN : amide:sc= -8.04! C(o=-8!,f=-12!) USER MOD Single : A 722 SER OG : rot -100:sc= -0.718 USER MOD Single : A 726 SER OG : rot -53:sc= -0.161! USER MOD Single : A 727 LYS NZ :NH3+ -163:sc= -0.0516 (180deg=-0.477) USER MOD Single : A 732 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.58) USER MOD Single : A 736 THR OG1 : rot 91:sc= 1.09 USER MOD Single : A 737 THR OG1 : rot 74:sc= 0.213 USER MOD Single : A 739 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLY A 628 -7.340 5.669 9.541 1.00 0.00 N ATOM 14 CA GLY A 628 -6.641 6.945 9.459 1.00 0.00 C ATOM 15 C GLY A 628 -6.284 7.276 8.014 1.00 0.00 C ATOM 16 O GLY A 628 -7.118 7.159 7.116 1.00 0.00 O ATOM 0 HA2 GLY A 628 -7.267 7.735 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 628 -5.734 6.907 10.063 1.00 0.00 H new ATOM 20 N HIS A 629 -5.040 7.689 7.797 1.00 0.00 N ATOM 21 CA HIS A 629 -4.583 8.034 6.456 1.00 0.00 C ATOM 22 C HIS A 629 -3.986 6.809 5.765 1.00 0.00 C ATOM 23 O HIS A 629 -3.228 6.052 6.370 1.00 0.00 O ATOM 24 CB HIS A 629 -3.528 9.139 6.538 1.00 0.00 C ATOM 25 CG HIS A 629 -4.117 10.345 7.219 1.00 0.00 C ATOM 26 ND1 HIS A 629 -4.003 10.549 8.586 1.00 0.00 N ATOM 27 CD2 HIS A 629 -4.827 11.417 6.738 1.00 0.00 C ATOM 28 CE1 HIS A 629 -4.630 11.703 8.877 1.00 0.00 C ATOM 29 NE2 HIS A 629 -5.150 12.273 7.787 1.00 0.00 N ATOM 0 H HIS A 629 -4.335 7.793 8.527 1.00 0.00 H new ATOM 0 HA HIS A 629 -5.436 8.386 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 629 -2.657 8.785 7.090 1.00 0.00 H new ATOM 0 HB3 HIS A 629 -3.185 9.404 5.538 1.00 0.00 H new ATOM 0 HD2 HIS A 629 -5.094 11.572 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 629 -4.704 12.118 9.871 1.00 0.00 H new ATOM 0 HE2 HIS A 629 -5.672 13.148 7.734 1.00 0.00 H new ATOM 38 N ILE A 630 -4.330 6.623 4.494 1.00 0.00 N ATOM 39 CA ILE A 630 -3.819 5.488 3.730 1.00 0.00 C ATOM 40 C ILE A 630 -2.929 5.973 2.592 1.00 0.00 C ATOM 41 O ILE A 630 -3.266 6.930 1.898 1.00 0.00 O ATOM 42 CB ILE A 630 -4.984 4.678 3.161 1.00 0.00 C ATOM 43 CG1 ILE A 630 -5.896 4.225 4.303 1.00 0.00 C ATOM 44 CG2 ILE A 630 -4.441 3.451 2.426 1.00 0.00 C ATOM 45 CD1 ILE A 630 -7.165 3.597 3.724 1.00 0.00 C ATOM 0 H ILE A 630 -4.956 7.238 3.974 1.00 0.00 H new ATOM 0 HA ILE A 630 -3.230 4.857 4.395 1.00 0.00 H new ATOM 0 HB ILE A 630 -5.551 5.297 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 630 -5.376 3.504 4.934 1.00 0.00 H new ATOM 0 HG13 ILE A 630 -6.154 5.074 4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 630 -5.271 2.873 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 630 -3.791 3.772 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 630 -3.874 2.832 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 630 -7.815 3.274 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 630 -7.688 4.332 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 630 -6.898 2.737 3.110 1.00 0.00 H new ATOM 57 N LEU A 631 -1.786 5.320 2.403 1.00 0.00 N ATOM 58 CA LEU A 631 -0.874 5.729 1.338 1.00 0.00 C ATOM 59 C LEU A 631 -0.595 4.584 0.370 1.00 0.00 C ATOM 60 O LEU A 631 -0.164 3.505 0.774 1.00 0.00 O ATOM 61 CB LEU A 631 0.442 6.228 1.937 1.00 0.00 C ATOM 62 CG LEU A 631 1.266 6.914 0.845 1.00 0.00 C ATOM 63 CD1 LEU A 631 2.078 8.056 1.458 1.00 0.00 C ATOM 64 CD2 LEU A 631 2.217 5.899 0.210 1.00 0.00 C ATOM 0 H LEU A 631 -1.473 4.524 2.958 1.00 0.00 H new ATOM 0 HA LEU A 631 -1.353 6.535 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 631 0.243 6.925 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 631 1.001 5.394 2.361 1.00 0.00 H new ATOM 0 HG LEU A 631 0.596 7.312 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 631 2.665 8.544 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 631 1.402 8.781 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 631 2.747 7.658 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 631 2.804 6.387 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 631 2.886 5.500 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 631 1.640 5.085 -0.228 1.00 0.00 H new ATOM 76 N LEU A 632 -0.831 4.836 -0.915 1.00 0.00 N ATOM 77 CA LEU A 632 -0.589 3.828 -1.941 1.00 0.00 C ATOM 78 C LEU A 632 0.489 4.311 -2.908 1.00 0.00 C ATOM 79 O LEU A 632 0.467 5.460 -3.347 1.00 0.00 O ATOM 80 CB LEU A 632 -1.877 3.546 -2.717 1.00 0.00 C ATOM 81 CG LEU A 632 -2.980 3.137 -1.741 1.00 0.00 C ATOM 82 CD1 LEU A 632 -3.686 4.386 -1.206 1.00 0.00 C ATOM 83 CD2 LEU A 632 -3.996 2.249 -2.465 1.00 0.00 C ATOM 0 H LEU A 632 -1.187 5.724 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 632 -0.253 2.912 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -2.180 4.432 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -1.709 2.753 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 632 -2.540 2.587 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 632 -4.472 4.090 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 632 -2.964 5.019 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 632 -4.126 4.939 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 632 -4.783 1.956 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 632 -4.433 2.800 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 632 -3.496 1.357 -2.843 1.00 0.00 H new ATOM 95 N LEU A 633 1.429 3.432 -3.239 1.00 0.00 N ATOM 96 CA LEU A 633 2.500 3.798 -4.160 1.00 0.00 C ATOM 97 C LEU A 633 2.307 3.112 -5.510 1.00 0.00 C ATOM 98 O LEU A 633 2.445 1.894 -5.622 1.00 0.00 O ATOM 99 CB LEU A 633 3.854 3.396 -3.571 1.00 0.00 C ATOM 100 CG LEU A 633 4.137 4.223 -2.317 1.00 0.00 C ATOM 101 CD1 LEU A 633 3.682 3.446 -1.081 1.00 0.00 C ATOM 102 CD2 LEU A 633 5.639 4.503 -2.218 1.00 0.00 C ATOM 0 H LEU A 633 1.472 2.475 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 633 2.473 4.878 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 633 3.854 2.334 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 633 4.642 3.553 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 633 3.594 5.167 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 633 3.884 4.035 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 633 2.613 3.246 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 633 4.225 2.503 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 633 5.841 5.093 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 633 6.182 3.560 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 633 5.965 5.056 -3.099 1.00 0.00 H new ATOM 114 N GLU A 634 1.995 3.901 -6.534 1.00 0.00 N ATOM 115 CA GLU A 634 1.795 3.355 -7.873 1.00 0.00 C ATOM 116 C GLU A 634 1.938 4.449 -8.927 1.00 0.00 C ATOM 117 O GLU A 634 1.763 5.631 -8.633 1.00 0.00 O ATOM 118 CB GLU A 634 0.411 2.706 -7.980 1.00 0.00 C ATOM 119 CG GLU A 634 0.276 2.019 -9.342 1.00 0.00 C ATOM 120 CD GLU A 634 -1.106 1.390 -9.485 1.00 0.00 C ATOM 121 OE1 GLU A 634 -1.856 1.428 -8.526 1.00 0.00 O ATOM 122 OE2 GLU A 634 -1.393 0.878 -10.555 1.00 0.00 O ATOM 0 H GLU A 634 1.876 4.912 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 634 2.558 2.597 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 634 0.275 1.980 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 634 -0.367 3.460 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 634 0.437 2.744 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 634 1.044 1.253 -9.448 1.00 0.00 H new ATOM 129 N GLU A 635 2.248 4.045 -10.155 1.00 0.00 N ATOM 130 CA GLU A 635 2.402 4.998 -11.246 1.00 0.00 C ATOM 131 C GLU A 635 1.265 4.834 -12.250 1.00 0.00 C ATOM 132 O GLU A 635 0.725 3.741 -12.403 1.00 0.00 O ATOM 133 CB GLU A 635 3.743 4.781 -11.951 1.00 0.00 C ATOM 134 CG GLU A 635 4.884 4.971 -10.950 1.00 0.00 C ATOM 135 CD GLU A 635 6.226 4.854 -11.664 1.00 0.00 C ATOM 136 OE1 GLU A 635 6.224 4.503 -12.832 1.00 0.00 O ATOM 137 OE2 GLU A 635 7.236 5.116 -11.032 1.00 0.00 O ATOM 0 H GLU A 635 2.396 3.071 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 635 2.374 6.006 -10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 635 3.783 3.779 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 635 3.849 5.484 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 635 4.801 5.947 -10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 635 4.816 4.222 -10.161 1.00 0.00 H new ATOM 144 N GLU A 636 0.912 5.933 -12.918 1.00 0.00 N ATOM 145 CA GLU A 636 -0.169 5.933 -13.908 1.00 0.00 C ATOM 146 C GLU A 636 -1.414 6.580 -13.310 1.00 0.00 C ATOM 147 O GLU A 636 -2.123 5.966 -12.513 1.00 0.00 O ATOM 148 CB GLU A 636 -0.499 4.509 -14.364 1.00 0.00 C ATOM 149 CG GLU A 636 -1.361 4.565 -15.626 1.00 0.00 C ATOM 150 CD GLU A 636 -1.756 3.155 -16.048 1.00 0.00 C ATOM 151 OE1 GLU A 636 -1.380 2.224 -15.354 1.00 0.00 O ATOM 152 OE2 GLU A 636 -2.425 3.025 -17.060 1.00 0.00 O ATOM 0 H GLU A 636 1.361 6.840 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 636 0.163 6.503 -14.776 1.00 0.00 H new ATOM 0 HB2 GLU A 636 0.420 3.957 -14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -1.027 3.976 -13.573 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -2.254 5.162 -15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -0.812 5.054 -16.430 1.00 0.00 H new ATOM 159 N ASP A 637 -1.664 7.829 -13.687 1.00 0.00 N ATOM 160 CA ASP A 637 -2.815 8.560 -13.169 1.00 0.00 C ATOM 161 C ASP A 637 -4.120 7.813 -13.430 1.00 0.00 C ATOM 162 O ASP A 637 -5.035 7.851 -12.607 1.00 0.00 O ATOM 163 CB ASP A 637 -2.885 9.947 -13.807 1.00 0.00 C ATOM 164 CG ASP A 637 -3.952 10.782 -13.108 1.00 0.00 C ATOM 165 OD1 ASP A 637 -4.468 10.324 -12.101 1.00 0.00 O ATOM 166 OD2 ASP A 637 -4.238 11.866 -13.589 1.00 0.00 O ATOM 0 H ASP A 637 -1.089 8.354 -14.346 1.00 0.00 H new ATOM 0 HA ASP A 637 -2.687 8.655 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 637 -1.916 10.441 -13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 637 -3.117 9.858 -14.868 1.00 0.00 H new ATOM 171 N GLU A 638 -4.214 7.145 -14.575 1.00 0.00 N ATOM 172 CA GLU A 638 -5.432 6.414 -14.910 1.00 0.00 C ATOM 173 C GLU A 638 -5.664 5.272 -13.925 1.00 0.00 C ATOM 174 O GLU A 638 -6.795 5.027 -13.503 1.00 0.00 O ATOM 175 CB GLU A 638 -5.334 5.853 -16.331 1.00 0.00 C ATOM 176 CG GLU A 638 -5.269 7.006 -17.335 1.00 0.00 C ATOM 177 CD GLU A 638 -5.249 6.454 -18.757 1.00 0.00 C ATOM 178 OE1 GLU A 638 -5.112 5.251 -18.902 1.00 0.00 O ATOM 179 OE2 GLU A 638 -5.371 7.243 -19.680 1.00 0.00 O ATOM 0 H GLU A 638 -3.475 7.094 -15.277 1.00 0.00 H new ATOM 0 HA GLU A 638 -6.273 7.105 -14.850 1.00 0.00 H new ATOM 0 HB2 GLU A 638 -4.448 5.226 -16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 638 -6.196 5.221 -16.543 1.00 0.00 H new ATOM 0 HG2 GLU A 638 -6.128 7.664 -17.203 1.00 0.00 H new ATOM 0 HG3 GLU A 638 -4.377 7.606 -17.156 1.00 0.00 H new ATOM 186 N ALA A 639 -4.590 4.584 -13.554 1.00 0.00 N ATOM 187 CA ALA A 639 -4.699 3.479 -12.608 1.00 0.00 C ATOM 188 C ALA A 639 -4.937 4.007 -11.197 1.00 0.00 C ATOM 189 O ALA A 639 -5.793 3.504 -10.469 1.00 0.00 O ATOM 190 CB ALA A 639 -3.420 2.641 -12.631 1.00 0.00 C ATOM 0 H ALA A 639 -3.644 4.768 -13.889 1.00 0.00 H new ATOM 0 HA ALA A 639 -5.545 2.857 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 639 -3.511 1.819 -11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 639 -3.265 2.240 -13.633 1.00 0.00 H new ATOM 0 HB3 ALA A 639 -2.571 3.266 -12.355 1.00 0.00 H new ATOM 196 N ALA A 640 -4.168 5.023 -10.819 1.00 0.00 N ATOM 197 CA ALA A 640 -4.294 5.614 -9.492 1.00 0.00 C ATOM 198 C ALA A 640 -5.655 6.281 -9.320 1.00 0.00 C ATOM 199 O ALA A 640 -6.258 6.212 -8.249 1.00 0.00 O ATOM 200 CB ALA A 640 -3.191 6.651 -9.278 1.00 0.00 C ATOM 0 H ALA A 640 -3.455 5.452 -11.409 1.00 0.00 H new ATOM 0 HA ALA A 640 -4.199 4.817 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 640 -3.291 7.089 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 640 -2.217 6.170 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 640 -3.278 7.435 -10.030 1.00 0.00 H new ATOM 206 N THR A 641 -6.131 6.932 -10.376 1.00 0.00 N ATOM 207 CA THR A 641 -7.419 7.612 -10.317 1.00 0.00 C ATOM 208 C THR A 641 -8.546 6.618 -10.058 1.00 0.00 C ATOM 209 O THR A 641 -9.408 6.854 -9.211 1.00 0.00 O ATOM 210 CB THR A 641 -7.682 8.349 -11.633 1.00 0.00 C ATOM 211 OG1 THR A 641 -6.606 9.238 -11.899 1.00 0.00 O ATOM 212 CG2 THR A 641 -8.987 9.141 -11.525 1.00 0.00 C ATOM 0 H THR A 641 -5.651 7.003 -11.273 1.00 0.00 H new ATOM 0 HA THR A 641 -7.388 8.328 -9.496 1.00 0.00 H new ATOM 0 HB THR A 641 -7.765 7.626 -12.444 1.00 0.00 H new ATOM 0 HG1 THR A 641 -5.785 8.723 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 641 -9.173 9.665 -12.462 1.00 0.00 H new ATOM 0 HG22 THR A 641 -9.812 8.458 -11.321 1.00 0.00 H new ATOM 0 HG23 THR A 641 -8.907 9.865 -10.714 1.00 0.00 H new ATOM 220 N VAL A 642 -8.539 5.508 -10.789 1.00 0.00 N ATOM 221 CA VAL A 642 -9.574 4.496 -10.617 1.00 0.00 C ATOM 222 C VAL A 642 -9.635 4.026 -9.169 1.00 0.00 C ATOM 223 O VAL A 642 -10.694 4.050 -8.544 1.00 0.00 O ATOM 224 CB VAL A 642 -9.297 3.302 -11.532 1.00 0.00 C ATOM 225 CG1 VAL A 642 -10.186 2.127 -11.122 1.00 0.00 C ATOM 226 CG2 VAL A 642 -9.608 3.690 -12.980 1.00 0.00 C ATOM 0 H VAL A 642 -7.838 5.288 -11.497 1.00 0.00 H new ATOM 0 HA VAL A 642 -10.533 4.941 -10.881 1.00 0.00 H new ATOM 0 HB VAL A 642 -8.249 3.014 -11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 642 -9.988 1.276 -11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 642 -9.971 1.851 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 642 -11.233 2.415 -11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 642 -9.411 2.841 -13.634 1.00 0.00 H new ATOM 0 HG22 VAL A 642 -10.656 3.977 -13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 642 -8.978 4.529 -13.275 1.00 0.00 H new ATOM 236 N VAL A 643 -8.491 3.601 -8.640 1.00 0.00 N ATOM 237 CA VAL A 643 -8.428 3.128 -7.261 1.00 0.00 C ATOM 238 C VAL A 643 -8.871 4.221 -6.295 1.00 0.00 C ATOM 239 O VAL A 643 -9.610 3.960 -5.345 1.00 0.00 O ATOM 240 CB VAL A 643 -7.005 2.689 -6.919 1.00 0.00 C ATOM 241 CG1 VAL A 643 -6.926 2.335 -5.433 1.00 0.00 C ATOM 242 CG2 VAL A 643 -6.636 1.462 -7.755 1.00 0.00 C ATOM 0 H VAL A 643 -7.602 3.574 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 643 -9.102 2.277 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 643 -6.311 3.500 -7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 643 -5.911 2.022 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 643 -7.191 3.208 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 643 -7.620 1.523 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 643 -5.621 1.148 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 643 -7.329 0.650 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 643 -6.694 1.712 -8.814 1.00 0.00 H new ATOM 252 N CYS A 644 -8.414 5.445 -6.542 1.00 0.00 N ATOM 253 CA CYS A 644 -8.772 6.568 -5.686 1.00 0.00 C ATOM 254 C CYS A 644 -10.285 6.740 -5.639 1.00 0.00 C ATOM 255 O CYS A 644 -10.856 7.003 -4.582 1.00 0.00 O ATOM 256 CB CYS A 644 -8.124 7.853 -6.207 1.00 0.00 C ATOM 257 SG CYS A 644 -6.542 8.115 -5.366 1.00 0.00 S ATOM 0 H CYS A 644 -7.800 5.682 -7.321 1.00 0.00 H new ATOM 0 HA CYS A 644 -8.408 6.364 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 644 -7.969 7.784 -7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 644 -8.785 8.702 -6.034 1.00 0.00 H new ATOM 0 HG CYS A 644 -5.802 7.054 -5.493 1.00 0.00 H new ATOM 263 N GLU A 645 -10.930 6.582 -6.789 1.00 0.00 N ATOM 264 CA GLU A 645 -12.379 6.716 -6.856 1.00 0.00 C ATOM 265 C GLU A 645 -13.046 5.658 -5.985 1.00 0.00 C ATOM 266 O GLU A 645 -14.050 5.926 -5.325 1.00 0.00 O ATOM 267 CB GLU A 645 -12.849 6.563 -8.304 1.00 0.00 C ATOM 268 CG GLU A 645 -14.353 6.832 -8.385 1.00 0.00 C ATOM 269 CD GLU A 645 -14.848 6.597 -9.807 1.00 0.00 C ATOM 270 OE1 GLU A 645 -14.036 6.236 -10.643 1.00 0.00 O ATOM 271 OE2 GLU A 645 -16.031 6.782 -10.039 1.00 0.00 O ATOM 0 H GLU A 645 -10.479 6.364 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 645 -12.658 7.704 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 645 -12.310 7.258 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 645 -12.629 5.558 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 645 -14.885 6.179 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 645 -14.564 7.858 -8.082 1.00 0.00 H new ATOM 278 N MET A 646 -12.477 4.455 -5.985 1.00 0.00 N ATOM 279 CA MET A 646 -13.024 3.366 -5.186 1.00 0.00 C ATOM 280 C MET A 646 -12.843 3.658 -3.700 1.00 0.00 C ATOM 281 O MET A 646 -13.788 3.556 -2.915 1.00 0.00 O ATOM 282 CB MET A 646 -12.309 2.060 -5.539 1.00 0.00 C ATOM 283 CG MET A 646 -12.427 1.805 -7.043 1.00 0.00 C ATOM 284 SD MET A 646 -14.142 1.411 -7.463 1.00 0.00 S ATOM 285 CE MET A 646 -13.872 -0.323 -7.906 1.00 0.00 C ATOM 0 H MET A 646 -11.646 4.213 -6.524 1.00 0.00 H new ATOM 0 HA MET A 646 -14.088 3.272 -5.402 1.00 0.00 H new ATOM 0 HB2 MET A 646 -11.260 2.118 -5.250 1.00 0.00 H new ATOM 0 HB3 MET A 646 -12.747 1.231 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 646 -12.100 2.685 -7.597 1.00 0.00 H new ATOM 0 HG3 MET A 646 -11.773 0.983 -7.335 1.00 0.00 H new ATOM 0 HE1 MET A 646 -14.815 -0.866 -7.841 1.00 0.00 H new ATOM 0 HE2 MET A 646 -13.488 -0.383 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 646 -13.150 -0.766 -7.220 1.00 0.00 H new ATOM 295 N LEU A 647 -11.624 4.033 -3.322 1.00 0.00 N ATOM 296 CA LEU A 647 -11.334 4.347 -1.930 1.00 0.00 C ATOM 297 C LEU A 647 -12.047 5.630 -1.527 1.00 0.00 C ATOM 298 O LEU A 647 -12.637 5.716 -0.449 1.00 0.00 O ATOM 299 CB LEU A 647 -9.826 4.510 -1.734 1.00 0.00 C ATOM 300 CG LEU A 647 -9.112 3.234 -2.189 1.00 0.00 C ATOM 301 CD1 LEU A 647 -7.633 3.311 -1.805 1.00 0.00 C ATOM 302 CD2 LEU A 647 -9.750 2.019 -1.512 1.00 0.00 C ATOM 0 H LEU A 647 -10.829 4.126 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 647 -11.689 3.529 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -9.464 5.365 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -9.604 4.710 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 647 -9.203 3.136 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -7.125 2.403 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -7.176 4.174 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -7.543 3.411 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -9.240 1.112 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -9.661 2.117 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -10.803 1.961 -1.786 1.00 0.00 H new ATOM 314 N THR A 648 -12.003 6.622 -2.410 1.00 0.00 N ATOM 315 CA THR A 648 -12.663 7.892 -2.146 1.00 0.00 C ATOM 316 C THR A 648 -14.140 7.655 -1.854 1.00 0.00 C ATOM 317 O THR A 648 -14.713 8.263 -0.950 1.00 0.00 O ATOM 318 CB THR A 648 -12.511 8.821 -3.353 1.00 0.00 C ATOM 319 OG1 THR A 648 -11.131 8.989 -3.649 1.00 0.00 O ATOM 320 CG2 THR A 648 -13.137 10.180 -3.038 1.00 0.00 C ATOM 0 H THR A 648 -11.521 6.571 -3.307 1.00 0.00 H new ATOM 0 HA THR A 648 -12.199 8.361 -1.279 1.00 0.00 H new ATOM 0 HB THR A 648 -13.017 8.383 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 648 -10.767 8.149 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 648 -13.027 10.839 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 648 -14.196 10.050 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 648 -12.635 10.621 -2.177 1.00 0.00 H new ATOM 328 N ALA A 649 -14.744 6.755 -2.625 1.00 0.00 N ATOM 329 CA ALA A 649 -16.153 6.425 -2.447 1.00 0.00 C ATOM 330 C ALA A 649 -16.374 5.725 -1.111 1.00 0.00 C ATOM 331 O ALA A 649 -17.441 5.836 -0.510 1.00 0.00 O ATOM 332 CB ALA A 649 -16.624 5.516 -3.583 1.00 0.00 C ATOM 0 H ALA A 649 -14.281 6.243 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 649 -16.728 7.351 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 649 -17.678 5.274 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 649 -16.493 6.028 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 649 -16.037 4.597 -3.581 1.00 0.00 H new ATOM 338 N ALA A 650 -15.358 4.996 -0.658 1.00 0.00 N ATOM 339 CA ALA A 650 -15.457 4.273 0.605 1.00 0.00 C ATOM 340 C ALA A 650 -15.365 5.234 1.788 1.00 0.00 C ATOM 341 O ALA A 650 -15.536 4.832 2.940 1.00 0.00 O ATOM 342 CB ALA A 650 -14.335 3.236 0.696 1.00 0.00 C ATOM 0 H ALA A 650 -14.466 4.891 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 650 -16.424 3.771 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 650 -14.412 2.698 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 650 -14.423 2.531 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 650 -13.369 3.739 0.643 1.00 0.00 H new ATOM 348 N GLY A 651 -15.105 6.506 1.498 1.00 0.00 N ATOM 349 CA GLY A 651 -15.005 7.515 2.549 1.00 0.00 C ATOM 350 C GLY A 651 -13.597 7.564 3.134 1.00 0.00 C ATOM 351 O GLY A 651 -13.344 8.272 4.109 1.00 0.00 O ATOM 0 H GLY A 651 -14.961 6.861 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 651 -15.268 8.492 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 651 -15.722 7.293 3.339 1.00 0.00 H new ATOM 355 N PHE A 652 -12.685 6.805 2.537 1.00 0.00 N ATOM 356 CA PHE A 652 -11.305 6.768 3.012 1.00 0.00 C ATOM 357 C PHE A 652 -10.434 7.739 2.225 1.00 0.00 C ATOM 358 O PHE A 652 -10.507 7.801 0.997 1.00 0.00 O ATOM 359 CB PHE A 652 -10.744 5.352 2.871 1.00 0.00 C ATOM 360 CG PHE A 652 -11.422 4.439 3.862 1.00 0.00 C ATOM 361 CD1 PHE A 652 -12.716 3.973 3.610 1.00 0.00 C ATOM 362 CD2 PHE A 652 -10.754 4.054 5.031 1.00 0.00 C ATOM 363 CE1 PHE A 652 -13.344 3.121 4.526 1.00 0.00 C ATOM 364 CE2 PHE A 652 -11.382 3.203 5.947 1.00 0.00 C ATOM 365 CZ PHE A 652 -12.677 2.736 5.695 1.00 0.00 C ATOM 0 H PHE A 652 -12.873 6.211 1.729 1.00 0.00 H new ATOM 0 HA PHE A 652 -11.297 7.063 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 652 -10.903 4.986 1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 652 -9.668 5.357 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 652 -13.231 4.270 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 652 -9.754 4.414 5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 652 -14.343 2.761 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 652 -10.867 2.906 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 652 -13.162 2.079 6.402 1.00 0.00 H new ATOM 375 N LYS A 653 -9.600 8.486 2.940 1.00 0.00 N ATOM 376 CA LYS A 653 -8.707 9.441 2.298 1.00 0.00 C ATOM 377 C LYS A 653 -7.354 8.787 2.045 1.00 0.00 C ATOM 378 O LYS A 653 -6.710 8.295 2.973 1.00 0.00 O ATOM 379 CB LYS A 653 -8.526 10.669 3.192 1.00 0.00 C ATOM 380 CG LYS A 653 -7.761 11.751 2.428 1.00 0.00 C ATOM 381 CD LYS A 653 -7.507 12.945 3.351 1.00 0.00 C ATOM 382 CE LYS A 653 -6.881 14.085 2.547 1.00 0.00 C ATOM 383 NZ LYS A 653 -6.152 13.522 1.376 1.00 0.00 N ATOM 0 H LYS A 653 -9.524 8.449 3.957 1.00 0.00 H new ATOM 0 HA LYS A 653 -9.142 9.753 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 653 -9.498 11.049 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 653 -7.983 10.396 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 653 -6.815 11.353 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 653 -8.332 12.068 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 653 -8.443 13.275 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 653 -6.845 12.654 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 653 -7.655 14.775 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 653 -6.197 14.655 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 -5.450 14.212 1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 -5.669 12.645 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 -6.828 13.316 0.613 1.00 0.00 H new ATOM 397 N VAL A 654 -6.930 8.770 0.785 1.00 0.00 N ATOM 398 CA VAL A 654 -5.656 8.156 0.439 1.00 0.00 C ATOM 399 C VAL A 654 -4.788 9.106 -0.379 1.00 0.00 C ATOM 400 O VAL A 654 -5.294 9.940 -1.129 1.00 0.00 O ATOM 401 CB VAL A 654 -5.899 6.873 -0.358 1.00 0.00 C ATOM 402 CG1 VAL A 654 -6.914 5.995 0.378 1.00 0.00 C ATOM 403 CG2 VAL A 654 -6.441 7.229 -1.746 1.00 0.00 C ATOM 0 H VAL A 654 -7.442 9.168 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 654 -5.131 7.923 1.365 1.00 0.00 H new ATOM 0 HB VAL A 654 -4.960 6.329 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 654 -7.086 5.082 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 654 -6.527 5.740 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 654 -7.853 6.537 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 654 -6.614 6.315 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 654 -7.379 7.775 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 654 -5.716 7.851 -2.271 1.00 0.00 H new ATOM 413 N ILE A 655 -3.474 8.960 -0.233 1.00 0.00 N ATOM 414 CA ILE A 655 -2.528 9.794 -0.966 1.00 0.00 C ATOM 415 C ILE A 655 -1.731 8.940 -1.948 1.00 0.00 C ATOM 416 O ILE A 655 -1.193 7.896 -1.577 1.00 0.00 O ATOM 417 CB ILE A 655 -1.578 10.483 0.013 1.00 0.00 C ATOM 418 CG1 ILE A 655 -2.392 11.227 1.074 1.00 0.00 C ATOM 419 CG2 ILE A 655 -0.700 11.480 -0.743 1.00 0.00 C ATOM 420 CD1 ILE A 655 -3.449 12.096 0.390 1.00 0.00 C ATOM 0 H ILE A 655 -3.041 8.273 0.385 1.00 0.00 H new ATOM 0 HA ILE A 655 -3.080 10.552 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 655 -0.948 9.735 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 655 -2.871 10.515 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 655 -1.735 11.847 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 655 -0.023 11.971 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 655 -0.120 10.953 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 655 -1.330 12.228 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 655 -4.029 12.626 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 655 -2.959 12.818 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 655 -4.113 11.464 -0.200 1.00 0.00 H new ATOM 432 N TRP A 656 -1.670 9.377 -3.202 1.00 0.00 N ATOM 433 CA TRP A 656 -0.946 8.625 -4.222 1.00 0.00 C ATOM 434 C TRP A 656 0.467 9.169 -4.420 1.00 0.00 C ATOM 435 O TRP A 656 0.668 10.378 -4.537 1.00 0.00 O ATOM 436 CB TRP A 656 -1.706 8.689 -5.547 1.00 0.00 C ATOM 437 CG TRP A 656 -1.711 7.338 -6.181 1.00 0.00 C ATOM 438 CD1 TRP A 656 -0.882 6.941 -7.173 1.00 0.00 C ATOM 439 CD2 TRP A 656 -2.567 6.200 -5.881 1.00 0.00 C ATOM 440 NE1 TRP A 656 -1.180 5.632 -7.506 1.00 0.00 N ATOM 441 CE2 TRP A 656 -2.211 5.131 -6.735 1.00 0.00 C ATOM 442 CE3 TRP A 656 -3.609 5.993 -4.960 1.00 0.00 C ATOM 443 CZ2 TRP A 656 -2.865 3.902 -6.678 1.00 0.00 C ATOM 444 CZ3 TRP A 656 -4.269 4.755 -4.900 1.00 0.00 C ATOM 445 CH2 TRP A 656 -3.897 3.712 -5.759 1.00 0.00 C ATOM 0 H TRP A 656 -2.107 10.237 -3.534 1.00 0.00 H new ATOM 0 HA TRP A 656 -0.869 7.591 -3.885 1.00 0.00 H new ATOM 0 HB2 TRP A 656 -2.728 9.027 -5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 656 -1.238 9.414 -6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 656 -0.113 7.547 -7.630 1.00 0.00 H new ATOM 0 HE1 TRP A 656 -0.698 5.102 -8.232 1.00 0.00 H new ATOM 0 HE3 TRP A 656 -3.904 6.791 -4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 656 -2.575 3.101 -7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 656 -5.067 4.606 -4.188 1.00 0.00 H new ATOM 0 HH2 TRP A 656 -4.409 2.762 -5.709 1.00 0.00 H new ATOM 456 N LEU A 657 1.439 8.260 -4.470 1.00 0.00 N ATOM 457 CA LEU A 657 2.834 8.644 -4.668 1.00 0.00 C ATOM 458 C LEU A 657 3.392 8.004 -5.936 1.00 0.00 C ATOM 459 O LEU A 657 3.102 6.845 -6.235 1.00 0.00 O ATOM 460 CB LEU A 657 3.684 8.206 -3.471 1.00 0.00 C ATOM 461 CG LEU A 657 3.539 9.218 -2.332 1.00 0.00 C ATOM 462 CD1 LEU A 657 4.137 10.558 -2.763 1.00 0.00 C ATOM 463 CD2 LEU A 657 2.060 9.406 -1.995 1.00 0.00 C ATOM 0 H LEU A 657 1.286 7.256 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 657 2.873 9.729 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 657 3.371 7.218 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 657 4.730 8.125 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 657 4.065 8.849 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 657 4.034 11.280 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 657 5.193 10.426 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 657 3.611 10.925 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 657 1.960 10.127 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 657 1.530 9.773 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 657 1.633 8.452 -1.687 1.00 0.00 H new ATOM 475 N VAL A 658 4.204 8.759 -6.670 1.00 0.00 N ATOM 476 CA VAL A 658 4.808 8.246 -7.895 1.00 0.00 C ATOM 477 C VAL A 658 6.295 7.987 -7.674 1.00 0.00 C ATOM 478 O VAL A 658 7.028 7.665 -8.610 1.00 0.00 O ATOM 479 CB VAL A 658 4.627 9.249 -9.036 1.00 0.00 C ATOM 480 CG1 VAL A 658 3.140 9.562 -9.212 1.00 0.00 C ATOM 481 CG2 VAL A 658 5.385 10.537 -8.706 1.00 0.00 C ATOM 0 H VAL A 658 4.457 9.720 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 658 4.314 7.311 -8.161 1.00 0.00 H new ATOM 0 HB VAL A 658 5.018 8.823 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 658 3.012 10.277 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 658 2.600 8.645 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 658 2.746 9.988 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 658 5.257 11.253 -9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 658 4.994 10.963 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 658 6.445 10.314 -8.583 1.00 0.00 H new ATOM 491 N ASP A 659 6.729 8.133 -6.426 1.00 0.00 N ATOM 492 CA ASP A 659 8.127 7.916 -6.076 1.00 0.00 C ATOM 493 C ASP A 659 8.249 7.500 -4.613 1.00 0.00 C ATOM 494 O ASP A 659 7.252 7.185 -3.963 1.00 0.00 O ATOM 495 CB ASP A 659 8.933 9.194 -6.312 1.00 0.00 C ATOM 496 CG ASP A 659 8.483 10.275 -5.337 1.00 0.00 C ATOM 497 OD1 ASP A 659 7.794 9.937 -4.389 1.00 0.00 O ATOM 498 OD2 ASP A 659 8.835 11.423 -5.552 1.00 0.00 O ATOM 0 H ASP A 659 6.134 8.400 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 659 8.521 7.120 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 659 9.996 8.994 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 659 8.797 9.537 -7.338 1.00 0.00 H new ATOM 503 N GLY A 660 9.475 7.495 -4.103 1.00 0.00 N ATOM 504 CA GLY A 660 9.712 7.109 -2.717 1.00 0.00 C ATOM 505 C GLY A 660 10.200 8.293 -1.885 1.00 0.00 C ATOM 506 O GLY A 660 9.842 8.426 -0.715 1.00 0.00 O ATOM 0 H GLY A 660 10.314 7.752 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 660 8.793 6.713 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 660 10.451 6.308 -2.682 1.00 0.00 H new ATOM 510 N SER A 661 11.024 9.144 -2.488 1.00 0.00 N ATOM 511 CA SER A 661 11.557 10.303 -1.778 1.00 0.00 C ATOM 512 C SER A 661 10.429 11.201 -1.275 1.00 0.00 C ATOM 513 O SER A 661 10.438 11.636 -0.123 1.00 0.00 O ATOM 514 CB SER A 661 12.468 11.106 -2.707 1.00 0.00 C ATOM 515 OG SER A 661 13.480 10.255 -3.226 1.00 0.00 O ATOM 0 H SER A 661 11.335 9.056 -3.455 1.00 0.00 H new ATOM 0 HA SER A 661 12.127 9.945 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 661 11.886 11.537 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 661 12.919 11.936 -2.164 1.00 0.00 H new ATOM 0 HG SER A 661 14.064 10.768 -3.823 1.00 0.00 H new ATOM 521 N THR A 662 9.455 11.468 -2.139 1.00 0.00 N ATOM 522 CA THR A 662 8.327 12.309 -1.756 1.00 0.00 C ATOM 523 C THR A 662 7.512 11.631 -0.664 1.00 0.00 C ATOM 524 O THR A 662 6.995 12.287 0.239 1.00 0.00 O ATOM 525 CB THR A 662 7.433 12.584 -2.967 1.00 0.00 C ATOM 526 OG1 THR A 662 8.214 13.151 -4.009 1.00 0.00 O ATOM 527 CG2 THR A 662 6.320 13.556 -2.573 1.00 0.00 C ATOM 0 H THR A 662 9.423 11.119 -3.097 1.00 0.00 H new ATOM 0 HA THR A 662 8.716 13.255 -1.378 1.00 0.00 H new ATOM 0 HB THR A 662 6.989 11.650 -3.312 1.00 0.00 H new ATOM 0 HG1 THR A 662 8.078 12.640 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 662 5.684 13.751 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 662 5.722 13.119 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 662 6.760 14.492 -2.228 1.00 0.00 H new ATOM 535 N ALA A 663 7.398 10.311 -0.760 1.00 0.00 N ATOM 536 CA ALA A 663 6.639 9.549 0.222 1.00 0.00 C ATOM 537 C ALA A 663 7.255 9.688 1.608 1.00 0.00 C ATOM 538 O ALA A 663 6.553 9.913 2.586 1.00 0.00 O ATOM 539 CB ALA A 663 6.605 8.073 -0.177 1.00 0.00 C ATOM 0 H ALA A 663 7.818 9.751 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 663 5.623 9.943 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 663 6.036 7.509 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 663 6.133 7.971 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 663 7.623 7.685 -0.224 1.00 0.00 H new ATOM 545 N LEU A 664 8.570 9.552 1.686 1.00 0.00 N ATOM 546 CA LEU A 664 9.258 9.663 2.968 1.00 0.00 C ATOM 547 C LEU A 664 8.991 11.014 3.626 1.00 0.00 C ATOM 548 O LEU A 664 8.721 11.089 4.826 1.00 0.00 O ATOM 549 CB LEU A 664 10.766 9.488 2.764 1.00 0.00 C ATOM 550 CG LEU A 664 11.050 8.083 2.229 1.00 0.00 C ATOM 551 CD1 LEU A 664 12.530 7.965 1.857 1.00 0.00 C ATOM 552 CD2 LEU A 664 10.718 7.053 3.310 1.00 0.00 C ATOM 0 H LEU A 664 9.178 9.367 0.888 1.00 0.00 H new ATOM 0 HA LEU A 664 8.877 8.879 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 664 11.138 10.237 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 664 11.291 9.643 3.706 1.00 0.00 H new ATOM 0 HG LEU A 664 10.437 7.901 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 664 12.731 6.964 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 664 12.772 8.700 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 664 13.143 8.147 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 664 10.919 6.051 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 664 11.333 7.239 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 664 9.665 7.134 3.579 1.00 0.00 H new ATOM 564 N ASP A 665 9.080 12.079 2.836 1.00 0.00 N ATOM 565 CA ASP A 665 8.866 13.427 3.353 1.00 0.00 C ATOM 566 C ASP A 665 7.442 13.621 3.875 1.00 0.00 C ATOM 567 O ASP A 665 7.238 14.260 4.908 1.00 0.00 O ATOM 568 CB ASP A 665 9.145 14.452 2.252 1.00 0.00 C ATOM 569 CG ASP A 665 9.205 15.853 2.849 1.00 0.00 C ATOM 570 OD1 ASP A 665 9.221 15.958 4.065 1.00 0.00 O ATOM 571 OD2 ASP A 665 9.237 16.801 2.082 1.00 0.00 O ATOM 0 H ASP A 665 9.298 12.036 1.840 1.00 0.00 H new ATOM 0 HA ASP A 665 9.552 13.571 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 665 10.087 14.218 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 665 8.365 14.404 1.493 1.00 0.00 H new ATOM 576 N GLN A 666 6.461 13.090 3.155 1.00 0.00 N ATOM 577 CA GLN A 666 5.066 13.241 3.563 1.00 0.00 C ATOM 578 C GLN A 666 4.590 12.047 4.387 1.00 0.00 C ATOM 579 O GLN A 666 3.943 12.216 5.421 1.00 0.00 O ATOM 580 CB GLN A 666 4.181 13.404 2.328 1.00 0.00 C ATOM 581 CG GLN A 666 4.086 12.072 1.592 1.00 0.00 C ATOM 582 CD GLN A 666 3.385 12.268 0.252 1.00 0.00 C ATOM 583 OE1 GLN A 666 4.007 12.709 -0.715 1.00 0.00 O ATOM 584 NE2 GLN A 666 2.121 11.968 0.135 1.00 0.00 N ATOM 0 H GLN A 666 6.600 12.557 2.296 1.00 0.00 H new ATOM 0 HA GLN A 666 4.993 14.131 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 666 3.187 13.741 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 666 4.595 14.167 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 666 5.084 11.662 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 666 3.537 11.351 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 666 1.607 11.603 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 666 1.646 12.099 -0.758 1.00 0.00 H new ATOM 593 N LEU A 667 4.905 10.846 3.919 1.00 0.00 N ATOM 594 CA LEU A 667 4.495 9.630 4.617 1.00 0.00 C ATOM 595 C LEU A 667 4.818 9.723 6.102 1.00 0.00 C ATOM 596 O LEU A 667 4.018 9.322 6.946 1.00 0.00 O ATOM 597 CB LEU A 667 5.198 8.410 4.014 1.00 0.00 C ATOM 598 CG LEU A 667 4.636 7.134 4.641 1.00 0.00 C ATOM 599 CD1 LEU A 667 4.550 6.038 3.578 1.00 0.00 C ATOM 600 CD2 LEU A 667 5.561 6.670 5.769 1.00 0.00 C ATOM 0 H LEU A 667 5.439 10.686 3.065 1.00 0.00 H new ATOM 0 HA LEU A 667 3.417 9.520 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 667 5.053 8.391 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 667 6.272 8.472 4.191 1.00 0.00 H new ATOM 0 HG LEU A 667 3.642 7.335 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 667 4.149 5.128 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 667 3.895 6.365 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 667 5.545 5.839 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 667 5.161 5.760 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 667 6.554 6.470 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 667 5.628 7.449 6.528 1.00 0.00 H new ATOM 612 N ASP A 668 5.992 10.256 6.416 1.00 0.00 N ATOM 613 CA ASP A 668 6.401 10.396 7.806 1.00 0.00 C ATOM 614 C ASP A 668 5.439 11.307 8.562 1.00 0.00 C ATOM 615 O ASP A 668 5.176 11.102 9.747 1.00 0.00 O ATOM 616 CB ASP A 668 7.816 10.974 7.876 1.00 0.00 C ATOM 617 CG ASP A 668 8.300 10.996 9.321 1.00 0.00 C ATOM 618 OD1 ASP A 668 7.497 10.728 10.199 1.00 0.00 O ATOM 619 OD2 ASP A 668 9.469 11.281 9.529 1.00 0.00 O ATOM 0 H ASP A 668 6.671 10.595 5.734 1.00 0.00 H new ATOM 0 HA ASP A 668 6.386 9.410 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 668 8.493 10.375 7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 668 7.826 11.984 7.465 1.00 0.00 H new ATOM 624 N LEU A 669 4.930 12.322 7.873 1.00 0.00 N ATOM 625 CA LEU A 669 4.011 13.273 8.490 1.00 0.00 C ATOM 626 C LEU A 669 2.603 12.697 8.647 1.00 0.00 C ATOM 627 O LEU A 669 1.971 12.873 9.689 1.00 0.00 O ATOM 628 CB LEU A 669 3.939 14.540 7.637 1.00 0.00 C ATOM 629 CG LEU A 669 5.321 15.192 7.563 1.00 0.00 C ATOM 630 CD1 LEU A 669 5.280 16.364 6.581 1.00 0.00 C ATOM 631 CD2 LEU A 669 5.714 15.707 8.949 1.00 0.00 C ATOM 0 H LEU A 669 5.136 12.508 6.892 1.00 0.00 H new ATOM 0 HA LEU A 669 4.394 13.499 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 669 3.588 14.295 6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 669 3.220 15.238 8.065 1.00 0.00 H new ATOM 0 HG LEU A 669 6.052 14.458 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 669 6.264 16.829 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 669 4.996 16.001 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 669 4.550 17.098 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 669 6.699 16.172 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 669 4.982 16.442 9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 669 5.741 14.875 9.652 1.00 0.00 H new ATOM 643 N LEU A 670 2.103 12.030 7.609 1.00 0.00 N ATOM 644 CA LEU A 670 0.754 11.470 7.665 1.00 0.00 C ATOM 645 C LEU A 670 0.724 10.131 8.399 1.00 0.00 C ATOM 646 O LEU A 670 -0.342 9.660 8.793 1.00 0.00 O ATOM 647 CB LEU A 670 0.190 11.303 6.251 1.00 0.00 C ATOM 648 CG LEU A 670 0.970 10.223 5.503 1.00 0.00 C ATOM 649 CD1 LEU A 670 0.093 8.980 5.339 1.00 0.00 C ATOM 650 CD2 LEU A 670 1.365 10.748 4.121 1.00 0.00 C ATOM 0 H LEU A 670 2.601 11.866 6.734 1.00 0.00 H new ATOM 0 HA LEU A 670 0.133 12.170 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -0.865 11.033 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 670 0.252 12.248 5.711 1.00 0.00 H new ATOM 0 HG LEU A 670 1.866 9.965 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 670 0.650 8.210 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -0.194 8.605 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -0.802 9.238 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 670 1.922 9.979 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 670 0.467 11.004 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 670 1.988 11.635 4.233 1.00 0.00 H new ATOM 662 N GLN A 671 1.890 9.519 8.585 1.00 0.00 N ATOM 663 CA GLN A 671 1.954 8.237 9.281 1.00 0.00 C ATOM 664 C GLN A 671 0.757 7.365 8.902 1.00 0.00 C ATOM 665 O GLN A 671 -0.207 7.260 9.660 1.00 0.00 O ATOM 666 CB GLN A 671 1.963 8.463 10.794 1.00 0.00 C ATOM 667 CG GLN A 671 3.403 8.401 11.308 1.00 0.00 C ATOM 668 CD GLN A 671 3.899 6.961 11.288 1.00 0.00 C ATOM 669 OE1 GLN A 671 4.406 6.470 10.190 1.00 0.00 O flip ATOM 670 NE2 GLN A 671 3.824 6.263 12.300 1.00 0.00 N flip ATOM 0 H GLN A 671 2.790 9.882 8.270 1.00 0.00 H new ATOM 0 HA GLN A 671 2.872 7.728 8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 671 1.522 9.431 11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 671 1.355 7.706 11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 671 4.047 9.025 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 671 3.454 8.798 12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 671 3.428 6.648 13.157 1.00 0.00 H new ATOM 0 HE22 GLN A 671 4.158 5.300 12.281 1.00 0.00 H new ATOM 679 N PRO A 672 0.793 6.755 7.744 1.00 0.00 N ATOM 680 CA PRO A 672 -0.321 5.891 7.257 1.00 0.00 C ATOM 681 C PRO A 672 -0.446 4.595 8.055 1.00 0.00 C ATOM 682 O PRO A 672 0.516 4.141 8.676 1.00 0.00 O ATOM 683 CB PRO A 672 0.033 5.606 5.797 1.00 0.00 C ATOM 684 CG PRO A 672 1.504 5.836 5.677 1.00 0.00 C ATOM 685 CD PRO A 672 1.902 6.818 6.779 1.00 0.00 C ATOM 0 HA PRO A 672 -1.287 6.382 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -0.225 4.582 5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -0.521 6.263 5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 672 2.049 4.898 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 672 1.751 6.240 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 672 2.847 6.534 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 672 2.029 7.826 6.385 1.00 0.00 H new ATOM 693 N ILE A 673 -1.639 4.006 8.031 1.00 0.00 N ATOM 694 CA ILE A 673 -1.883 2.763 8.755 1.00 0.00 C ATOM 695 C ILE A 673 -1.654 1.564 7.841 1.00 0.00 C ATOM 696 O ILE A 673 -1.351 0.465 8.306 1.00 0.00 O ATOM 697 CB ILE A 673 -3.323 2.737 9.275 1.00 0.00 C ATOM 698 CG1 ILE A 673 -3.616 4.034 10.032 1.00 0.00 C ATOM 699 CG2 ILE A 673 -3.503 1.547 10.220 1.00 0.00 C ATOM 700 CD1 ILE A 673 -2.422 4.386 10.920 1.00 0.00 C ATOM 0 H ILE A 673 -2.446 4.367 7.522 1.00 0.00 H new ATOM 0 HA ILE A 673 -1.191 2.709 9.595 1.00 0.00 H new ATOM 0 HB ILE A 673 -4.010 2.642 8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -3.810 4.843 9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -4.513 3.918 10.640 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -4.528 1.528 10.590 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -3.294 0.621 9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -2.815 1.642 11.060 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -2.630 5.310 11.460 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -2.249 3.580 11.633 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -1.535 4.519 10.301 1.00 0.00 H new ATOM 712 N VAL A 674 -1.797 1.788 6.539 1.00 0.00 N ATOM 713 CA VAL A 674 -1.600 0.725 5.561 1.00 0.00 C ATOM 714 C VAL A 674 -0.945 1.279 4.299 1.00 0.00 C ATOM 715 O VAL A 674 -1.242 2.398 3.871 1.00 0.00 O ATOM 716 CB VAL A 674 -2.943 0.083 5.208 1.00 0.00 C ATOM 717 CG1 VAL A 674 -3.854 1.124 4.556 1.00 0.00 C ATOM 718 CG2 VAL A 674 -2.714 -1.072 4.232 1.00 0.00 C ATOM 0 H VAL A 674 -2.047 2.692 6.138 1.00 0.00 H new ATOM 0 HA VAL A 674 -0.945 -0.030 5.995 1.00 0.00 H new ATOM 0 HB VAL A 674 -3.414 -0.293 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 674 -4.810 0.665 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 674 -4.018 1.949 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 674 -3.384 1.501 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 674 -3.670 -1.530 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 674 -2.242 -0.694 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 674 -2.066 -1.816 4.695 1.00 0.00 H new ATOM 728 N ILE A 675 -0.045 0.495 3.711 1.00 0.00 N ATOM 729 CA ILE A 675 0.647 0.931 2.505 1.00 0.00 C ATOM 730 C ILE A 675 0.547 -0.106 1.389 1.00 0.00 C ATOM 731 O ILE A 675 0.890 -1.276 1.574 1.00 0.00 O ATOM 732 CB ILE A 675 2.121 1.194 2.815 1.00 0.00 C ATOM 733 CG1 ILE A 675 2.228 2.250 3.917 1.00 0.00 C ATOM 734 CG2 ILE A 675 2.829 1.697 1.554 1.00 0.00 C ATOM 735 CD1 ILE A 675 3.697 2.457 4.287 1.00 0.00 C ATOM 0 H ILE A 675 0.218 -0.432 4.045 1.00 0.00 H new ATOM 0 HA ILE A 675 0.165 1.848 2.165 1.00 0.00 H new ATOM 0 HB ILE A 675 2.592 0.270 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 675 1.792 3.190 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 675 1.663 1.934 4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 675 3.880 1.884 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 675 2.753 0.944 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 675 2.359 2.621 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 675 3.772 3.209 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 675 4.118 1.517 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 675 4.250 2.792 3.409 1.00 0.00 H new ATOM 747 N LEU A 676 0.098 0.345 0.223 1.00 0.00 N ATOM 748 CA LEU A 676 -0.017 -0.530 -0.938 1.00 0.00 C ATOM 749 C LEU A 676 0.995 -0.104 -1.996 1.00 0.00 C ATOM 750 O LEU A 676 1.095 1.078 -2.320 1.00 0.00 O ATOM 751 CB LEU A 676 -1.430 -0.453 -1.521 1.00 0.00 C ATOM 752 CG LEU A 676 -2.437 -0.961 -0.490 1.00 0.00 C ATOM 753 CD1 LEU A 676 -2.962 0.214 0.334 1.00 0.00 C ATOM 754 CD2 LEU A 676 -3.603 -1.641 -1.212 1.00 0.00 C ATOM 0 H LEU A 676 -0.192 1.309 0.057 1.00 0.00 H new ATOM 0 HA LEU A 676 0.182 -1.556 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -1.665 0.575 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -1.492 -1.050 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 676 -1.950 -1.677 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -3.680 -0.149 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -2.131 0.699 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -3.450 0.932 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -4.323 -2.004 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -4.089 -0.924 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -3.228 -2.480 -1.799 1.00 0.00 H new ATOM 766 N MET A 677 1.748 -1.058 -2.532 1.00 0.00 N ATOM 767 CA MET A 677 2.740 -0.723 -3.547 1.00 0.00 C ATOM 768 C MET A 677 2.781 -1.763 -4.658 1.00 0.00 C ATOM 769 O MET A 677 2.932 -2.958 -4.405 1.00 0.00 O ATOM 770 CB MET A 677 4.126 -0.607 -2.910 1.00 0.00 C ATOM 771 CG MET A 677 5.145 -0.206 -3.979 1.00 0.00 C ATOM 772 SD MET A 677 6.796 -0.128 -3.243 1.00 0.00 S ATOM 773 CE MET A 677 7.089 -1.911 -3.158 1.00 0.00 C ATOM 0 H MET A 677 1.694 -2.047 -2.288 1.00 0.00 H new ATOM 0 HA MET A 677 2.451 0.233 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 677 4.110 0.134 -2.111 1.00 0.00 H new ATOM 0 HB3 MET A 677 4.411 -1.557 -2.458 1.00 0.00 H new ATOM 0 HG2 MET A 677 5.134 -0.928 -4.796 1.00 0.00 H new ATOM 0 HG3 MET A 677 4.879 0.762 -4.405 1.00 0.00 H new ATOM 0 HE1 MET A 677 8.130 -2.096 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 677 6.440 -2.351 -2.401 1.00 0.00 H new ATOM 0 HE3 MET A 677 6.874 -2.362 -4.127 1.00 0.00 H new ATOM 783 N ALA A 678 2.667 -1.288 -5.893 1.00 0.00 N ATOM 784 CA ALA A 678 2.714 -2.167 -7.053 1.00 0.00 C ATOM 785 C ALA A 678 4.095 -2.802 -7.166 1.00 0.00 C ATOM 786 O ALA A 678 5.088 -2.223 -6.724 1.00 0.00 O ATOM 787 CB ALA A 678 2.409 -1.372 -8.323 1.00 0.00 C ATOM 0 H ALA A 678 2.542 -0.301 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 678 1.966 -2.951 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 678 2.446 -2.037 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 678 1.415 -0.932 -8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 678 3.148 -0.580 -8.443 1.00 0.00 H new ATOM 793 N TRP A 679 4.159 -3.988 -7.757 1.00 0.00 N ATOM 794 CA TRP A 679 5.436 -4.675 -7.915 1.00 0.00 C ATOM 795 C TRP A 679 5.684 -5.027 -9.379 1.00 0.00 C ATOM 796 O TRP A 679 5.615 -6.193 -9.769 1.00 0.00 O ATOM 797 CB TRP A 679 5.450 -5.951 -7.075 1.00 0.00 C ATOM 798 CG TRP A 679 6.858 -6.429 -6.923 1.00 0.00 C ATOM 799 CD1 TRP A 679 7.491 -7.268 -7.775 1.00 0.00 C ATOM 800 CD2 TRP A 679 7.818 -6.111 -5.874 1.00 0.00 C ATOM 801 NE1 TRP A 679 8.777 -7.486 -7.315 1.00 0.00 N ATOM 802 CE2 TRP A 679 9.027 -6.794 -6.146 1.00 0.00 C ATOM 803 CE3 TRP A 679 7.758 -5.303 -4.724 1.00 0.00 C ATOM 804 CZ2 TRP A 679 10.136 -6.682 -5.308 1.00 0.00 C ATOM 805 CZ3 TRP A 679 8.873 -5.188 -3.877 1.00 0.00 C ATOM 806 CH2 TRP A 679 10.060 -5.875 -4.169 1.00 0.00 C ATOM 0 H TRP A 679 3.354 -4.490 -8.131 1.00 0.00 H new ATOM 0 HA TRP A 679 6.227 -4.006 -7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 679 5.011 -5.760 -6.096 1.00 0.00 H new ATOM 0 HB3 TRP A 679 4.842 -6.720 -7.552 1.00 0.00 H new ATOM 0 HD1 TRP A 679 7.062 -7.697 -8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 679 9.458 -8.085 -7.782 1.00 0.00 H new ATOM 0 HE3 TRP A 679 6.849 -4.768 -4.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 679 11.047 -7.215 -5.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 679 8.816 -4.567 -2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 679 10.914 -5.781 -3.515 1.00 0.00 H new ATOM 817 N PRO A 680 5.973 -4.041 -10.186 1.00 0.00 N ATOM 818 CA PRO A 680 6.242 -4.230 -11.634 1.00 0.00 C ATOM 819 C PRO A 680 7.717 -4.540 -11.911 1.00 0.00 C ATOM 820 O PRO A 680 8.605 -4.018 -11.237 1.00 0.00 O ATOM 821 CB PRO A 680 5.844 -2.877 -12.219 1.00 0.00 C ATOM 822 CG PRO A 680 6.164 -1.884 -11.149 1.00 0.00 C ATOM 823 CD PRO A 680 6.071 -2.623 -9.808 1.00 0.00 C ATOM 0 HA PRO A 680 5.700 -5.074 -12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 680 6.398 -2.664 -13.133 1.00 0.00 H new ATOM 0 HB3 PRO A 680 4.785 -2.854 -12.475 1.00 0.00 H new ATOM 0 HG2 PRO A 680 7.162 -1.470 -11.293 1.00 0.00 H new ATOM 0 HG3 PRO A 680 5.465 -1.048 -11.178 1.00 0.00 H new ATOM 0 HD2 PRO A 680 6.948 -2.435 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 680 5.201 -2.302 -9.235 1.00 0.00 H new ATOM 831 N PRO A 681 7.987 -5.376 -12.882 1.00 0.00 N ATOM 832 CA PRO A 681 9.379 -5.759 -13.249 1.00 0.00 C ATOM 833 C PRO A 681 10.300 -4.554 -13.470 1.00 0.00 C ATOM 834 O PRO A 681 11.395 -4.507 -12.912 1.00 0.00 O ATOM 835 CB PRO A 681 9.245 -6.562 -14.544 1.00 0.00 C ATOM 836 CG PRO A 681 7.785 -6.669 -14.866 1.00 0.00 C ATOM 837 CD PRO A 681 6.988 -6.047 -13.719 1.00 0.00 C ATOM 0 HA PRO A 681 9.838 -6.324 -12.438 1.00 0.00 H new ATOM 0 HB2 PRO A 681 9.780 -6.070 -15.356 1.00 0.00 H new ATOM 0 HB3 PRO A 681 9.684 -7.553 -14.427 1.00 0.00 H new ATOM 0 HG2 PRO A 681 7.565 -6.156 -15.802 1.00 0.00 H new ATOM 0 HG3 PRO A 681 7.502 -7.713 -15.001 1.00 0.00 H new ATOM 0 HD2 PRO A 681 6.247 -5.340 -14.092 1.00 0.00 H new ATOM 0 HD3 PRO A 681 6.448 -6.808 -13.156 1.00 0.00 H new ATOM 845 N PRO A 682 9.893 -3.594 -14.270 1.00 0.00 N ATOM 846 CA PRO A 682 10.714 -2.385 -14.552 1.00 0.00 C ATOM 847 C PRO A 682 11.456 -1.896 -13.315 1.00 0.00 C ATOM 848 O PRO A 682 12.345 -1.049 -13.405 1.00 0.00 O ATOM 849 CB PRO A 682 9.688 -1.348 -15.005 1.00 0.00 C ATOM 850 CG PRO A 682 8.509 -2.116 -15.514 1.00 0.00 C ATOM 851 CD PRO A 682 8.620 -3.556 -15.002 1.00 0.00 C ATOM 0 HA PRO A 682 11.488 -2.582 -15.293 1.00 0.00 H new ATOM 0 HB2 PRO A 682 9.401 -0.698 -14.178 1.00 0.00 H new ATOM 0 HB3 PRO A 682 10.101 -0.708 -15.785 1.00 0.00 H new ATOM 0 HG2 PRO A 682 7.581 -1.660 -15.169 1.00 0.00 H new ATOM 0 HG3 PRO A 682 8.487 -2.100 -16.604 1.00 0.00 H new ATOM 0 HD2 PRO A 682 7.782 -3.811 -14.353 1.00 0.00 H new ATOM 0 HD3 PRO A 682 8.615 -4.271 -15.825 1.00 0.00 H new ATOM 859 N ASP A 683 11.087 -2.441 -12.164 1.00 0.00 N ATOM 860 CA ASP A 683 11.729 -2.058 -10.910 1.00 0.00 C ATOM 861 C ASP A 683 11.273 -0.672 -10.476 1.00 0.00 C ATOM 862 O ASP A 683 11.988 0.315 -10.650 1.00 0.00 O ATOM 863 CB ASP A 683 13.249 -2.070 -11.083 1.00 0.00 C ATOM 864 CG ASP A 683 13.927 -2.344 -9.745 1.00 0.00 C ATOM 865 OD1 ASP A 683 13.269 -2.876 -8.869 1.00 0.00 O ATOM 866 OD2 ASP A 683 15.097 -2.022 -9.619 1.00 0.00 O ATOM 0 H ASP A 683 10.353 -3.144 -12.070 1.00 0.00 H new ATOM 0 HA ASP A 683 11.444 -2.775 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 683 13.534 -2.833 -11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 683 13.585 -1.112 -11.480 1.00 0.00 H new ATOM 871 N GLN A 684 10.074 -0.608 -9.912 1.00 0.00 N ATOM 872 CA GLN A 684 9.520 0.659 -9.455 1.00 0.00 C ATOM 873 C GLN A 684 10.419 1.281 -8.386 1.00 0.00 C ATOM 874 O GLN A 684 10.935 0.586 -7.512 1.00 0.00 O ATOM 875 CB GLN A 684 8.115 0.429 -8.891 1.00 0.00 C ATOM 876 CG GLN A 684 7.397 1.769 -8.732 1.00 0.00 C ATOM 877 CD GLN A 684 6.047 1.555 -8.055 1.00 0.00 C ATOM 878 OE1 GLN A 684 4.981 2.114 -8.556 1.00 0.00 O flip ATOM 879 NE2 GLN A 684 5.963 0.861 -7.042 1.00 0.00 N flip ATOM 0 H GLN A 684 9.469 -1.415 -9.761 1.00 0.00 H new ATOM 0 HA GLN A 684 9.463 1.346 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 684 7.548 -0.222 -9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 684 8.178 -0.077 -7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 684 8.007 2.451 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 684 7.255 2.234 -9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 684 6.798 0.425 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 684 5.058 0.722 -6.593 1.00 0.00 H new ATOM 888 N SER A 685 10.604 2.593 -8.470 1.00 0.00 N ATOM 889 CA SER A 685 11.445 3.309 -7.511 1.00 0.00 C ATOM 890 C SER A 685 10.875 3.191 -6.106 1.00 0.00 C ATOM 891 O SER A 685 11.614 3.209 -5.121 1.00 0.00 O ATOM 892 CB SER A 685 11.548 4.783 -7.903 1.00 0.00 C ATOM 893 OG SER A 685 12.051 4.883 -9.229 1.00 0.00 O ATOM 0 H SER A 685 10.186 3.184 -9.189 1.00 0.00 H new ATOM 0 HA SER A 685 12.439 2.862 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 685 10.569 5.258 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 685 12.206 5.310 -7.212 1.00 0.00 H new ATOM 0 HG SER A 685 12.116 5.827 -9.484 1.00 0.00 H new ATOM 899 N CYS A 686 9.560 3.057 -6.018 1.00 0.00 N ATOM 900 CA CYS A 686 8.906 2.923 -4.726 1.00 0.00 C ATOM 901 C CYS A 686 9.549 1.781 -3.951 1.00 0.00 C ATOM 902 O CYS A 686 9.352 1.642 -2.744 1.00 0.00 O ATOM 903 CB CYS A 686 7.416 2.644 -4.922 1.00 0.00 C ATOM 904 SG CYS A 686 6.641 4.071 -5.720 1.00 0.00 S ATOM 0 H CYS A 686 8.929 3.038 -6.819 1.00 0.00 H new ATOM 0 HA CYS A 686 9.019 3.851 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 686 7.279 1.752 -5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 686 6.941 2.448 -3.961 1.00 0.00 H new ATOM 0 HG CYS A 686 6.919 5.148 -5.047 1.00 0.00 H new ATOM 910 N LEU A 687 10.328 0.970 -4.662 1.00 0.00 N ATOM 911 CA LEU A 687 11.011 -0.158 -4.045 1.00 0.00 C ATOM 912 C LEU A 687 11.994 0.336 -2.993 1.00 0.00 C ATOM 913 O LEU A 687 12.220 -0.332 -1.984 1.00 0.00 O ATOM 914 CB LEU A 687 11.762 -0.963 -5.109 1.00 0.00 C ATOM 915 CG LEU A 687 10.758 -1.638 -6.048 1.00 0.00 C ATOM 916 CD1 LEU A 687 11.462 -2.065 -7.339 1.00 0.00 C ATOM 917 CD2 LEU A 687 10.178 -2.878 -5.365 1.00 0.00 C ATOM 0 H LEU A 687 10.500 1.074 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 687 10.268 -0.797 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 687 12.422 -0.307 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 687 12.392 -1.715 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 687 9.959 -0.934 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 687 10.744 -2.545 -8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 687 11.882 -1.188 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 687 12.262 -2.767 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 687 9.463 -3.360 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 687 10.983 -3.575 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 687 9.674 -2.584 -4.444 1.00 0.00 H new ATOM 929 N LEU A 688 12.571 1.513 -3.224 1.00 0.00 N ATOM 930 CA LEU A 688 13.518 2.072 -2.266 1.00 0.00 C ATOM 931 C LEU A 688 12.796 2.362 -0.956 1.00 0.00 C ATOM 932 O LEU A 688 13.325 2.123 0.132 1.00 0.00 O ATOM 933 CB LEU A 688 14.113 3.373 -2.813 1.00 0.00 C ATOM 934 CG LEU A 688 14.710 3.124 -4.198 1.00 0.00 C ATOM 935 CD1 LEU A 688 15.370 4.406 -4.712 1.00 0.00 C ATOM 936 CD2 LEU A 688 15.760 2.015 -4.110 1.00 0.00 C ATOM 0 H LEU A 688 12.403 2.088 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 688 14.321 1.354 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 688 13.341 4.141 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 688 14.882 3.745 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 688 13.917 2.824 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 688 15.795 4.226 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 688 14.624 5.198 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 688 16.162 4.708 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 688 16.186 1.838 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 688 16.551 2.316 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 688 15.293 1.100 -3.747 1.00 0.00 H new ATOM 948 N LEU A 689 11.571 2.864 -1.076 1.00 0.00 N ATOM 949 CA LEU A 689 10.758 3.172 0.092 1.00 0.00 C ATOM 950 C LEU A 689 10.520 1.909 0.916 1.00 0.00 C ATOM 951 O LEU A 689 10.625 1.922 2.143 1.00 0.00 O ATOM 952 CB LEU A 689 9.418 3.759 -0.369 1.00 0.00 C ATOM 953 CG LEU A 689 8.495 3.991 0.830 1.00 0.00 C ATOM 954 CD1 LEU A 689 7.956 2.651 1.335 1.00 0.00 C ATOM 955 CD2 LEU A 689 9.266 4.688 1.952 1.00 0.00 C ATOM 0 H LEU A 689 11.121 3.065 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 689 11.280 3.898 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 689 9.587 4.700 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 689 8.941 3.081 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 689 7.662 4.622 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 689 7.300 2.821 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 689 7.396 2.161 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 689 8.788 2.015 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 689 8.604 4.850 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 689 10.105 4.064 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 689 9.640 5.648 1.595 1.00 0.00 H new ATOM 967 N LEU A 690 10.201 0.816 0.227 1.00 0.00 N ATOM 968 CA LEU A 690 9.949 -0.453 0.899 1.00 0.00 C ATOM 969 C LEU A 690 11.170 -0.893 1.697 1.00 0.00 C ATOM 970 O LEU A 690 11.042 -1.411 2.807 1.00 0.00 O ATOM 971 CB LEU A 690 9.591 -1.530 -0.125 1.00 0.00 C ATOM 972 CG LEU A 690 9.220 -2.822 0.606 1.00 0.00 C ATOM 973 CD1 LEU A 690 7.814 -2.690 1.197 1.00 0.00 C ATOM 974 CD2 LEU A 690 9.252 -3.993 -0.379 1.00 0.00 C ATOM 0 H LEU A 690 10.112 0.784 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 690 9.113 -0.314 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 690 8.758 -1.197 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 690 10.434 -1.706 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 690 9.935 -3.003 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 690 7.550 -3.611 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 690 7.791 -1.857 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 690 7.098 -2.509 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 690 8.988 -4.914 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 690 8.538 -3.812 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 690 10.253 -4.088 -0.799 1.00 0.00 H new ATOM 986 N GLN A 691 12.356 -0.684 1.132 1.00 0.00 N ATOM 987 CA GLN A 691 13.585 -1.066 1.816 1.00 0.00 C ATOM 988 C GLN A 691 13.699 -0.322 3.140 1.00 0.00 C ATOM 989 O GLN A 691 14.122 -0.888 4.150 1.00 0.00 O ATOM 990 CB GLN A 691 14.799 -0.751 0.938 1.00 0.00 C ATOM 991 CG GLN A 691 14.758 -1.619 -0.322 1.00 0.00 C ATOM 992 CD GLN A 691 16.018 -1.393 -1.150 1.00 0.00 C ATOM 993 OE1 GLN A 691 15.961 -0.648 -2.219 1.00 0.00 O flip ATOM 994 NE2 GLN A 691 17.083 -1.910 -0.813 1.00 0.00 N flip ATOM 0 H GLN A 691 12.491 -0.258 0.215 1.00 0.00 H new ATOM 0 HA GLN A 691 13.557 -2.138 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 691 14.800 0.304 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 691 15.719 -0.938 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 691 14.677 -2.671 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 691 13.875 -1.375 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 691 17.125 -2.492 0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 691 17.923 -1.756 -1.370 1.00 0.00 H new ATOM 1003 N HIS A 692 13.305 0.948 3.134 1.00 0.00 N ATOM 1004 CA HIS A 692 13.356 1.751 4.348 1.00 0.00 C ATOM 1005 C HIS A 692 12.531 1.087 5.447 1.00 0.00 C ATOM 1006 O HIS A 692 13.004 0.899 6.568 1.00 0.00 O ATOM 1007 CB HIS A 692 12.807 3.151 4.069 1.00 0.00 C ATOM 1008 CG HIS A 692 12.907 3.985 5.314 1.00 0.00 C ATOM 1009 ND1 HIS A 692 12.428 3.793 6.586 1.00 0.00 N flip ATOM 1010 CD2 HIS A 692 13.575 5.200 5.339 1.00 0.00 C flip ATOM 1011 CE1 HIS A 692 12.791 4.870 7.390 1.00 0.00 C flip ATOM 1012 NE2 HIS A 692 13.481 5.688 6.589 1.00 0.00 N flip ATOM 0 H HIS A 692 12.951 1.437 2.312 1.00 0.00 H new ATOM 0 HA HIS A 692 14.392 1.830 4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 692 13.367 3.618 3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 692 11.769 3.088 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 692 14.079 5.669 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 692 12.564 5.014 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 692 13.887 6.574 6.889 1.00 0.00 H new ATOM 1021 N LEU A 693 11.297 0.726 5.108 1.00 0.00 N ATOM 1022 CA LEU A 693 10.409 0.071 6.063 1.00 0.00 C ATOM 1023 C LEU A 693 11.060 -1.189 6.623 1.00 0.00 C ATOM 1024 O LEU A 693 10.875 -1.530 7.792 1.00 0.00 O ATOM 1025 CB LEU A 693 9.088 -0.290 5.385 1.00 0.00 C ATOM 1026 CG LEU A 693 8.443 0.978 4.828 1.00 0.00 C ATOM 1027 CD1 LEU A 693 7.109 0.628 4.169 1.00 0.00 C ATOM 1028 CD2 LEU A 693 8.202 1.968 5.971 1.00 0.00 C ATOM 0 H LEU A 693 10.891 0.875 4.184 1.00 0.00 H new ATOM 0 HA LEU A 693 10.217 0.761 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 693 9.262 -1.006 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 693 8.418 -0.769 6.099 1.00 0.00 H new ATOM 0 HG LEU A 693 9.105 1.427 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 693 6.650 1.534 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 693 7.279 -0.079 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 693 6.445 0.179 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 693 7.742 2.874 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 693 7.540 1.517 6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 693 9.153 2.219 6.441 1.00 0.00 H new ATOM 1040 N ARG A 694 11.821 -1.880 5.778 1.00 0.00 N ATOM 1041 CA ARG A 694 12.490 -3.104 6.200 1.00 0.00 C ATOM 1042 C ARG A 694 13.476 -2.802 7.322 1.00 0.00 C ATOM 1043 O ARG A 694 13.636 -3.593 8.251 1.00 0.00 O ATOM 1044 CB ARG A 694 13.226 -3.733 5.015 1.00 0.00 C ATOM 1045 CG ARG A 694 12.222 -4.068 3.909 1.00 0.00 C ATOM 1046 CD ARG A 694 11.557 -5.415 4.201 1.00 0.00 C ATOM 1047 NE ARG A 694 10.359 -5.567 3.385 1.00 0.00 N ATOM 1048 CZ ARG A 694 9.645 -6.685 3.415 1.00 0.00 C ATOM 1049 NH1 ARG A 694 10.030 -7.685 4.160 1.00 0.00 N ATOM 1050 NH2 ARG A 694 8.561 -6.785 2.697 1.00 0.00 N ATOM 0 H ARG A 694 11.988 -1.616 4.807 1.00 0.00 H new ATOM 0 HA ARG A 694 11.741 -3.806 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 694 13.983 -3.046 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 694 13.746 -4.636 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 694 11.466 -3.286 3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 694 12.728 -4.104 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 694 12.254 -6.227 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 694 11.298 -5.480 5.258 1.00 0.00 H new ATOM 0 HE ARG A 694 10.064 -4.800 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 694 10.880 -7.607 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 694 9.481 -8.545 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 694 8.262 -6.004 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 694 8.012 -7.644 2.720 1.00 0.00 H new ATOM 1064 N GLU A 695 14.127 -1.648 7.233 1.00 0.00 N ATOM 1065 CA GLU A 695 15.086 -1.248 8.255 1.00 0.00 C ATOM 1066 C GLU A 695 14.370 -0.939 9.567 1.00 0.00 C ATOM 1067 O GLU A 695 14.906 -1.178 10.650 1.00 0.00 O ATOM 1068 CB GLU A 695 15.860 -0.012 7.791 1.00 0.00 C ATOM 1069 CG GLU A 695 16.772 -0.388 6.622 1.00 0.00 C ATOM 1070 CD GLU A 695 17.804 -1.414 7.076 1.00 0.00 C ATOM 1071 OE1 GLU A 695 17.990 -1.547 8.275 1.00 0.00 O ATOM 1072 OE2 GLU A 695 18.393 -2.053 6.219 1.00 0.00 O ATOM 0 H GLU A 695 14.010 -0.979 6.472 1.00 0.00 H new ATOM 0 HA GLU A 695 15.782 -2.071 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 695 15.166 0.771 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 695 16.452 0.389 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 695 16.179 -0.795 5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 695 17.274 0.501 6.241 1.00 0.00 H new ATOM 1079 N HIS A 696 13.159 -0.401 9.460 1.00 0.00 N ATOM 1080 CA HIS A 696 12.377 -0.056 10.644 1.00 0.00 C ATOM 1081 C HIS A 696 11.139 -0.941 10.764 1.00 0.00 C ATOM 1082 O HIS A 696 10.154 -0.562 11.399 1.00 0.00 O ATOM 1083 CB HIS A 696 11.957 1.412 10.574 1.00 0.00 C ATOM 1084 CG HIS A 696 13.186 2.277 10.494 1.00 0.00 C ATOM 1085 ND1 HIS A 696 13.872 2.797 9.425 1.00 0.00 N flip ATOM 1086 CD2 HIS A 696 13.863 2.706 11.625 1.00 0.00 C flip ATOM 1087 CE1 HIS A 696 14.957 3.540 9.883 1.00 0.00 C flip ATOM 1088 NE2 HIS A 696 14.905 3.452 11.214 1.00 0.00 N flip ATOM 0 H HIS A 696 12.700 -0.195 8.573 1.00 0.00 H new ATOM 0 HA HIS A 696 12.999 -0.219 11.524 1.00 0.00 H new ATOM 0 HB2 HIS A 696 11.323 1.580 9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 696 11.369 1.676 11.453 1.00 0.00 H new ATOM 0 HD2 HIS A 696 13.602 2.482 12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 696 15.684 4.073 9.289 1.00 0.00 H new ATOM 0 HE2 HIS A 696 15.574 3.896 11.843 1.00 0.00 H new ATOM 1168 N PRO A 702 4.183 -4.723 13.013 1.00 0.00 N ATOM 1169 CA PRO A 702 4.408 -4.128 11.666 1.00 0.00 C ATOM 1170 C PRO A 702 3.102 -3.709 10.990 1.00 0.00 C ATOM 1171 O PRO A 702 2.079 -4.378 11.131 1.00 0.00 O ATOM 1172 CB PRO A 702 5.092 -5.246 10.873 1.00 0.00 C ATOM 1173 CG PRO A 702 4.738 -6.509 11.581 1.00 0.00 C ATOM 1174 CD PRO A 702 4.555 -6.142 13.051 1.00 0.00 C ATOM 0 HA PRO A 702 5.003 -3.217 11.725 1.00 0.00 H new ATOM 0 HB2 PRO A 702 4.744 -5.264 9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 702 6.172 -5.102 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 702 3.825 -6.941 11.172 1.00 0.00 H new ATOM 0 HG3 PRO A 702 5.524 -7.255 11.462 1.00 0.00 H new ATOM 0 HD2 PRO A 702 3.779 -6.747 13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 702 5.471 -6.300 13.620 1.00 0.00 H new ATOM 1182 N PRO A 703 3.125 -2.626 10.257 1.00 0.00 N ATOM 1183 CA PRO A 703 1.923 -2.115 9.536 1.00 0.00 C ATOM 1184 C PRO A 703 1.435 -3.103 8.481 1.00 0.00 C ATOM 1185 O PRO A 703 2.176 -3.992 8.061 1.00 0.00 O ATOM 1186 CB PRO A 703 2.393 -0.806 8.891 1.00 0.00 C ATOM 1187 CG PRO A 703 3.885 -0.869 8.877 1.00 0.00 C ATOM 1188 CD PRO A 703 4.301 -1.774 10.034 1.00 0.00 C ATOM 0 HA PRO A 703 1.077 -1.969 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 703 1.997 -0.704 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 703 2.044 0.057 9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 703 4.246 -1.265 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 703 4.315 0.126 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 703 5.181 -2.366 9.782 1.00 0.00 H new ATOM 0 HD3 PRO A 703 4.550 -1.196 10.924 1.00 0.00 H new ATOM 1196 N LEU A 704 0.185 -2.945 8.059 1.00 0.00 N ATOM 1197 CA LEU A 704 -0.387 -3.837 7.057 1.00 0.00 C ATOM 1198 C LEU A 704 0.144 -3.474 5.671 1.00 0.00 C ATOM 1199 O LEU A 704 0.041 -2.325 5.241 1.00 0.00 O ATOM 1200 CB LEU A 704 -1.912 -3.712 7.074 1.00 0.00 C ATOM 1201 CG LEU A 704 -2.535 -4.893 6.331 1.00 0.00 C ATOM 1202 CD1 LEU A 704 -2.680 -6.075 7.291 1.00 0.00 C ATOM 1203 CD2 LEU A 704 -3.914 -4.493 5.801 1.00 0.00 C ATOM 0 H LEU A 704 -0.446 -2.216 8.391 1.00 0.00 H new ATOM 0 HA LEU A 704 -0.104 -4.864 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 704 -2.273 -3.686 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 704 -2.215 -2.775 6.606 1.00 0.00 H new ATOM 0 HG LEU A 704 -1.895 -5.178 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 704 -3.124 -6.919 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 704 -1.698 -6.359 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 704 -3.321 -5.790 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 704 -4.358 -5.335 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -4.556 -4.209 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 704 -3.811 -3.649 5.119 1.00 0.00 H new ATOM 1215 N VAL A 705 0.727 -4.453 4.981 1.00 0.00 N ATOM 1216 CA VAL A 705 1.283 -4.208 3.652 1.00 0.00 C ATOM 1217 C VAL A 705 0.662 -5.124 2.597 1.00 0.00 C ATOM 1218 O VAL A 705 0.566 -6.340 2.784 1.00 0.00 O ATOM 1219 CB VAL A 705 2.796 -4.425 3.682 1.00 0.00 C ATOM 1220 CG1 VAL A 705 3.382 -4.130 2.301 1.00 0.00 C ATOM 1221 CG2 VAL A 705 3.426 -3.484 4.712 1.00 0.00 C ATOM 0 H VAL A 705 0.826 -5.412 5.315 1.00 0.00 H new ATOM 0 HA VAL A 705 1.053 -3.178 3.381 1.00 0.00 H new ATOM 0 HB VAL A 705 3.008 -5.459 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 705 4.461 -4.285 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 705 2.934 -4.798 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 705 3.169 -3.096 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 705 4.505 -3.638 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 705 3.213 -2.451 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 705 3.010 -3.692 5.698 1.00 0.00 H new ATOM 1231 N LEU A 706 0.257 -4.526 1.477 1.00 0.00 N ATOM 1232 CA LEU A 706 -0.335 -5.287 0.380 1.00 0.00 C ATOM 1233 C LEU A 706 0.423 -5.027 -0.919 1.00 0.00 C ATOM 1234 O LEU A 706 0.907 -3.917 -1.153 1.00 0.00 O ATOM 1235 CB LEU A 706 -1.806 -4.909 0.200 1.00 0.00 C ATOM 1236 CG LEU A 706 -2.576 -5.242 1.478 1.00 0.00 C ATOM 1237 CD1 LEU A 706 -2.376 -4.124 2.505 1.00 0.00 C ATOM 1238 CD2 LEU A 706 -4.065 -5.379 1.153 1.00 0.00 C ATOM 0 H LEU A 706 0.328 -3.523 1.307 1.00 0.00 H new ATOM 0 HA LEU A 706 -0.267 -6.347 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 706 -1.895 -3.846 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 706 -2.231 -5.450 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 706 -2.206 -6.180 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 706 -2.926 -4.363 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 706 -1.315 -4.028 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 706 -2.744 -3.183 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 706 -4.616 -5.616 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 706 -4.435 -4.441 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 706 -4.206 -6.177 0.425 1.00 0.00 H new ATOM 1250 N PHE A 707 0.520 -6.048 -1.764 1.00 0.00 N ATOM 1251 CA PHE A 707 1.220 -5.904 -3.037 1.00 0.00 C ATOM 1252 C PHE A 707 0.226 -5.847 -4.192 1.00 0.00 C ATOM 1253 O PHE A 707 -0.584 -6.755 -4.376 1.00 0.00 O ATOM 1254 CB PHE A 707 2.176 -7.080 -3.243 1.00 0.00 C ATOM 1255 CG PHE A 707 3.379 -6.917 -2.346 1.00 0.00 C ATOM 1256 CD1 PHE A 707 3.216 -6.864 -0.957 1.00 0.00 C ATOM 1257 CD2 PHE A 707 4.659 -6.816 -2.906 1.00 0.00 C ATOM 1258 CE1 PHE A 707 4.334 -6.709 -0.127 1.00 0.00 C ATOM 1259 CE2 PHE A 707 5.776 -6.662 -2.077 1.00 0.00 C ATOM 1260 CZ PHE A 707 5.614 -6.609 -0.687 1.00 0.00 C ATOM 0 H PHE A 707 0.128 -6.974 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 707 1.787 -4.974 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 707 1.668 -8.018 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.491 -7.128 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 707 2.229 -6.943 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 707 4.784 -6.857 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 707 4.209 -6.667 0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 707 6.763 -6.584 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 707 6.476 -6.491 -0.047 1.00 0.00 H new ATOM 1270 N LEU A 708 0.299 -4.773 -4.970 1.00 0.00 N ATOM 1271 CA LEU A 708 -0.593 -4.599 -6.109 1.00 0.00 C ATOM 1272 C LEU A 708 0.086 -5.055 -7.396 1.00 0.00 C ATOM 1273 O LEU A 708 1.308 -4.988 -7.522 1.00 0.00 O ATOM 1274 CB LEU A 708 -1.004 -3.131 -6.232 1.00 0.00 C ATOM 1275 CG LEU A 708 -1.626 -2.665 -4.914 1.00 0.00 C ATOM 1276 CD1 LEU A 708 -2.228 -1.270 -5.095 1.00 0.00 C ATOM 1277 CD2 LEU A 708 -2.726 -3.644 -4.497 1.00 0.00 C ATOM 0 H LEU A 708 0.965 -4.012 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 708 -1.482 -5.209 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 708 -0.136 -2.518 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 708 -1.718 -3.009 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 708 -0.857 -2.630 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 708 -2.671 -0.940 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 708 -1.446 -0.572 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 708 -2.997 -1.303 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 708 -3.170 -3.314 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 708 -3.494 -3.679 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 708 -2.298 -4.638 -4.366 1.00 0.00 H new ATOM 1289 N GLY A 709 -0.715 -5.518 -8.351 1.00 0.00 N ATOM 1290 CA GLY A 709 -0.178 -5.982 -9.624 1.00 0.00 C ATOM 1291 C GLY A 709 0.255 -7.441 -9.539 1.00 0.00 C ATOM 1292 O GLY A 709 -0.542 -8.315 -9.197 1.00 0.00 O ATOM 0 H GLY A 709 -1.730 -5.581 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 709 -0.932 -5.868 -10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 709 0.672 -5.363 -9.910 1.00 0.00 H new ATOM 1296 N GLU A 710 1.518 -7.699 -9.861 1.00 0.00 N ATOM 1297 CA GLU A 710 2.043 -9.060 -9.825 1.00 0.00 C ATOM 1298 C GLU A 710 2.624 -9.382 -8.451 1.00 0.00 C ATOM 1299 O GLU A 710 3.017 -8.487 -7.702 1.00 0.00 O ATOM 1300 CB GLU A 710 3.131 -9.227 -10.891 1.00 0.00 C ATOM 1301 CG GLU A 710 2.521 -9.848 -12.151 1.00 0.00 C ATOM 1302 CD GLU A 710 3.434 -9.607 -13.349 1.00 0.00 C ATOM 1303 OE1 GLU A 710 3.525 -8.469 -13.781 1.00 0.00 O ATOM 1304 OE2 GLU A 710 4.028 -10.564 -13.818 1.00 0.00 O ATOM 0 H GLU A 710 2.193 -6.990 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 710 1.222 -9.748 -10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 710 3.575 -8.260 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 710 3.932 -9.861 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 710 2.375 -10.918 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 710 1.538 -9.416 -12.340 1.00 0.00 H new ATOM 1311 N PRO A 711 2.681 -10.643 -8.120 1.00 0.00 N ATOM 1312 CA PRO A 711 3.224 -11.119 -6.814 1.00 0.00 C ATOM 1313 C PRO A 711 4.740 -10.956 -6.723 1.00 0.00 C ATOM 1314 O PRO A 711 5.433 -10.903 -7.739 1.00 0.00 O ATOM 1315 CB PRO A 711 2.835 -12.599 -6.774 1.00 0.00 C ATOM 1316 CG PRO A 711 2.665 -13.006 -8.200 1.00 0.00 C ATOM 1317 CD PRO A 711 2.226 -11.757 -8.964 1.00 0.00 C ATOM 0 HA PRO A 711 2.827 -10.545 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 711 3.606 -13.194 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 711 1.913 -12.747 -6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 711 3.598 -13.399 -8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 711 1.920 -13.797 -8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 711 2.678 -11.717 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 711 1.145 -11.735 -9.105 1.00 0.00 H new ATOM 1325 N PRO A 712 5.253 -10.881 -5.525 1.00 0.00 N ATOM 1326 CA PRO A 712 6.718 -10.725 -5.278 1.00 0.00 C ATOM 1327 C PRO A 712 7.497 -11.978 -5.678 1.00 0.00 C ATOM 1328 O PRO A 712 7.062 -12.736 -6.545 1.00 0.00 O ATOM 1329 CB PRO A 712 6.807 -10.467 -3.768 1.00 0.00 C ATOM 1330 CG PRO A 712 5.555 -11.034 -3.187 1.00 0.00 C ATOM 1331 CD PRO A 712 4.485 -10.940 -4.273 1.00 0.00 C ATOM 0 HA PRO A 712 7.157 -9.922 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 712 7.688 -10.945 -3.340 1.00 0.00 H new ATOM 0 HB3 PRO A 712 6.889 -9.401 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 712 5.705 -12.069 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 712 5.255 -10.479 -2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 712 3.819 -11.803 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 712 3.863 -10.054 -4.144 1.00 0.00 H new ATOM 1339 N VAL A 713 8.648 -12.194 -5.047 1.00 0.00 N ATOM 1340 CA VAL A 713 9.466 -13.360 -5.359 1.00 0.00 C ATOM 1341 C VAL A 713 10.159 -13.877 -4.104 1.00 0.00 C ATOM 1342 O VAL A 713 10.063 -15.060 -3.776 1.00 0.00 O ATOM 1343 CB VAL A 713 10.515 -12.997 -6.411 1.00 0.00 C ATOM 1344 CG1 VAL A 713 10.878 -14.242 -7.222 1.00 0.00 C ATOM 1345 CG2 VAL A 713 9.950 -11.928 -7.349 1.00 0.00 C ATOM 0 H VAL A 713 9.031 -11.584 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 713 8.816 -14.142 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 713 11.406 -12.613 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 713 11.626 -13.983 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 713 11.281 -15.005 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 713 9.986 -14.627 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 713 10.698 -11.670 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 713 9.058 -12.313 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL A 713 9.691 -11.039 -6.774 1.00 0.00 H new ATOM 1355 N ASP A 714 10.851 -12.988 -3.402 1.00 0.00 N ATOM 1356 CA ASP A 714 11.546 -13.378 -2.181 1.00 0.00 C ATOM 1357 C ASP A 714 10.539 -13.664 -1.070 1.00 0.00 C ATOM 1358 O ASP A 714 9.496 -13.014 -0.985 1.00 0.00 O ATOM 1359 CB ASP A 714 12.495 -12.262 -1.740 1.00 0.00 C ATOM 1360 CG ASP A 714 13.924 -12.605 -2.143 1.00 0.00 C ATOM 1361 OD1 ASP A 714 14.380 -13.678 -1.781 1.00 0.00 O ATOM 1362 OD2 ASP A 714 14.542 -11.791 -2.809 1.00 0.00 O ATOM 0 H ASP A 714 10.946 -12.004 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 714 12.122 -14.282 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 714 12.196 -11.318 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 714 12.435 -12.128 -0.660 1.00 0.00 H new ATOM 1367 N PRO A 715 10.829 -14.618 -0.227 1.00 0.00 N ATOM 1368 CA PRO A 715 9.928 -14.996 0.899 1.00 0.00 C ATOM 1369 C PRO A 715 9.883 -13.931 1.992 1.00 0.00 C ATOM 1370 O PRO A 715 8.971 -13.917 2.818 1.00 0.00 O ATOM 1371 CB PRO A 715 10.528 -16.300 1.429 1.00 0.00 C ATOM 1372 CG PRO A 715 11.965 -16.271 1.026 1.00 0.00 C ATOM 1373 CD PRO A 715 12.048 -15.441 -0.255 1.00 0.00 C ATOM 0 HA PRO A 715 8.894 -15.102 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 715 10.426 -16.367 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 715 10.019 -17.166 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 715 12.578 -15.831 1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 715 12.340 -17.281 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 715 12.946 -14.823 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 715 12.080 -16.076 -1.140 1.00 0.00 H new ATOM 1381 N LEU A 716 10.870 -13.039 1.992 1.00 0.00 N ATOM 1382 CA LEU A 716 10.919 -11.980 2.992 1.00 0.00 C ATOM 1383 C LEU A 716 9.813 -10.963 2.750 1.00 0.00 C ATOM 1384 O LEU A 716 9.246 -10.413 3.694 1.00 0.00 O ATOM 1385 CB LEU A 716 12.279 -11.281 2.967 1.00 0.00 C ATOM 1386 CG LEU A 716 12.310 -10.197 4.047 1.00 0.00 C ATOM 1387 CD1 LEU A 716 12.167 -10.844 5.425 1.00 0.00 C ATOM 1388 CD2 LEU A 716 13.640 -9.441 3.975 1.00 0.00 C ATOM 0 H LEU A 716 11.637 -13.028 1.319 1.00 0.00 H new ATOM 0 HA LEU A 716 10.772 -12.434 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 716 13.076 -12.005 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 716 12.456 -10.839 1.986 1.00 0.00 H new ATOM 0 HG LEU A 716 11.487 -9.501 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 716 12.189 -10.072 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 716 11.220 -11.382 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 716 12.989 -11.541 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 716 13.662 -8.669 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 716 14.463 -10.137 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 716 13.743 -8.978 2.994 1.00 0.00 H new ATOM 1400 N LEU A 717 9.501 -10.721 1.482 1.00 0.00 N ATOM 1401 CA LEU A 717 8.449 -9.773 1.146 1.00 0.00 C ATOM 1402 C LEU A 717 7.090 -10.414 1.392 1.00 0.00 C ATOM 1403 O LEU A 717 6.159 -9.763 1.866 1.00 0.00 O ATOM 1404 CB LEU A 717 8.563 -9.357 -0.323 1.00 0.00 C ATOM 1405 CG LEU A 717 9.941 -8.746 -0.581 1.00 0.00 C ATOM 1406 CD1 LEU A 717 10.017 -8.254 -2.028 1.00 0.00 C ATOM 1407 CD2 LEU A 717 10.163 -7.565 0.367 1.00 0.00 C ATOM 0 H LEU A 717 9.954 -11.161 0.681 1.00 0.00 H new ATOM 0 HA LEU A 717 8.554 -8.888 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 717 8.412 -10.222 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 717 7.783 -8.636 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 717 10.709 -9.500 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 717 10.999 -7.818 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 717 9.858 -9.092 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 717 9.248 -7.500 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 717 11.145 -7.130 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 717 9.394 -6.811 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 717 10.108 -7.911 1.399 1.00 0.00 H new ATOM 1419 N THR A 718 6.994 -11.701 1.080 1.00 0.00 N ATOM 1420 CA THR A 718 5.754 -12.438 1.284 1.00 0.00 C ATOM 1421 C THR A 718 5.438 -12.538 2.772 1.00 0.00 C ATOM 1422 O THR A 718 4.293 -12.363 3.189 1.00 0.00 O ATOM 1423 CB THR A 718 5.874 -13.842 0.689 1.00 0.00 C ATOM 1424 OG1 THR A 718 6.267 -13.746 -0.673 1.00 0.00 O ATOM 1425 CG2 THR A 718 4.525 -14.554 0.783 1.00 0.00 C ATOM 0 H THR A 718 7.756 -12.253 0.687 1.00 0.00 H new ATOM 0 HA THR A 718 4.946 -11.904 0.784 1.00 0.00 H new ATOM 0 HB THR A 718 6.621 -14.409 1.244 1.00 0.00 H new ATOM 0 HG1 THR A 718 7.228 -13.560 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 718 4.611 -15.554 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 718 4.225 -14.628 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 718 3.776 -13.988 0.229 1.00 0.00 H new ATOM 1433 N ALA A 719 6.466 -12.823 3.568 1.00 0.00 N ATOM 1434 CA ALA A 719 6.290 -12.945 5.010 1.00 0.00 C ATOM 1435 C ALA A 719 5.897 -11.603 5.614 1.00 0.00 C ATOM 1436 O ALA A 719 5.038 -11.533 6.493 1.00 0.00 O ATOM 1437 CB ALA A 719 7.588 -13.438 5.653 1.00 0.00 C ATOM 0 H ALA A 719 7.421 -12.972 3.241 1.00 0.00 H new ATOM 0 HA ALA A 719 5.494 -13.664 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 719 7.449 -13.527 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 719 7.852 -14.411 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 719 8.389 -12.727 5.448 1.00 0.00 H new ATOM 1443 N GLN A 720 6.534 -10.540 5.136 1.00 0.00 N ATOM 1444 CA GLN A 720 6.246 -9.200 5.636 1.00 0.00 C ATOM 1445 C GLN A 720 4.956 -8.661 5.024 1.00 0.00 C ATOM 1446 O GLN A 720 4.312 -7.777 5.589 1.00 0.00 O ATOM 1447 CB GLN A 720 7.412 -8.263 5.313 1.00 0.00 C ATOM 1448 CG GLN A 720 7.159 -6.892 5.943 1.00 0.00 C ATOM 1449 CD GLN A 720 8.412 -6.030 5.827 1.00 0.00 C ATOM 1450 OE1 GLN A 720 9.487 -6.438 6.267 1.00 0.00 O ATOM 1451 NE2 GLN A 720 8.340 -4.859 5.258 1.00 0.00 N ATOM 0 H GLN A 720 7.248 -10.578 4.409 1.00 0.00 H new ATOM 0 HA GLN A 720 6.117 -9.253 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 720 8.344 -8.682 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 720 7.523 -8.163 4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 720 6.322 -6.402 5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 720 6.883 -7.009 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 720 7.448 -4.523 4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 720 9.175 -4.279 5.177 1.00 0.00 H new ATOM 1460 N ALA A 721 4.583 -9.201 3.868 1.00 0.00 N ATOM 1461 CA ALA A 721 3.365 -8.768 3.190 1.00 0.00 C ATOM 1462 C ALA A 721 2.130 -9.285 3.924 1.00 0.00 C ATOM 1463 O ALA A 721 2.104 -10.428 4.384 1.00 0.00 O ATOM 1464 CB ALA A 721 3.360 -9.285 1.751 1.00 0.00 C ATOM 0 H ALA A 721 5.102 -9.934 3.384 1.00 0.00 H new ATOM 0 HA ALA A 721 3.340 -7.678 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 721 2.449 -8.959 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 721 4.227 -8.891 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 721 3.401 -10.374 1.756 1.00 0.00 H new ATOM 1470 N SER A 722 1.107 -8.441 4.028 1.00 0.00 N ATOM 1471 CA SER A 722 -0.124 -8.832 4.708 1.00 0.00 C ATOM 1472 C SER A 722 -1.072 -9.531 3.742 1.00 0.00 C ATOM 1473 O SER A 722 -1.855 -10.393 4.142 1.00 0.00 O ATOM 1474 CB SER A 722 -0.817 -7.604 5.295 1.00 0.00 C ATOM 1475 OG SER A 722 -2.117 -7.486 4.733 1.00 0.00 O ATOM 0 H SER A 722 1.105 -7.492 3.654 1.00 0.00 H new ATOM 0 HA SER A 722 0.137 -9.520 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 722 -0.884 -7.693 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 722 -0.234 -6.707 5.084 1.00 0.00 H new ATOM 0 HG SER A 722 -2.105 -6.814 4.020 1.00 0.00 H new ATOM 1481 N ALA A 723 -0.998 -9.155 2.470 1.00 0.00 N ATOM 1482 CA ALA A 723 -1.862 -9.760 1.461 1.00 0.00 C ATOM 1483 C ALA A 723 -1.433 -9.340 0.060 1.00 0.00 C ATOM 1484 O ALA A 723 -1.345 -8.150 -0.245 1.00 0.00 O ATOM 1485 CB ALA A 723 -3.314 -9.341 1.698 1.00 0.00 C ATOM 0 H ALA A 723 -0.358 -8.444 2.115 1.00 0.00 H new ATOM 0 HA ALA A 723 -1.777 -10.844 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -3.952 -9.797 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -3.631 -9.672 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -3.394 -8.256 1.635 1.00 0.00 H new ATOM 1491 N ILE A 724 -1.163 -10.328 -0.787 1.00 0.00 N ATOM 1492 CA ILE A 724 -0.740 -10.054 -2.155 1.00 0.00 C ATOM 1493 C ILE A 724 -1.942 -9.996 -3.093 1.00 0.00 C ATOM 1494 O ILE A 724 -2.736 -10.936 -3.159 1.00 0.00 O ATOM 1495 CB ILE A 724 0.221 -11.148 -2.623 1.00 0.00 C ATOM 1496 CG1 ILE A 724 1.377 -11.267 -1.628 1.00 0.00 C ATOM 1497 CG2 ILE A 724 0.775 -10.785 -4.001 1.00 0.00 C ATOM 1498 CD1 ILE A 724 2.246 -12.471 -1.994 1.00 0.00 C ATOM 0 H ILE A 724 -1.229 -11.318 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 724 -0.237 -9.087 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 724 -0.311 -12.098 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 724 1.976 -10.356 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 724 0.989 -11.380 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 724 1.460 -11.565 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 724 -0.047 -10.695 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 724 1.307 -9.836 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 724 3.069 -12.555 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 724 1.643 -13.379 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 724 2.646 -12.339 -2.999 1.00 0.00 H new ATOM 1510 N LEU A 725 -2.064 -8.893 -3.822 1.00 0.00 N ATOM 1511 CA LEU A 725 -3.166 -8.726 -4.763 1.00 0.00 C ATOM 1512 C LEU A 725 -2.667 -8.851 -6.199 1.00 0.00 C ATOM 1513 O LEU A 725 -1.531 -8.488 -6.506 1.00 0.00 O ATOM 1514 CB LEU A 725 -3.833 -7.365 -4.561 1.00 0.00 C ATOM 1515 CG LEU A 725 -4.582 -7.358 -3.226 1.00 0.00 C ATOM 1516 CD1 LEU A 725 -3.579 -7.299 -2.072 1.00 0.00 C ATOM 1517 CD2 LEU A 725 -5.503 -6.138 -3.165 1.00 0.00 C ATOM 0 H LEU A 725 -1.418 -8.105 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 725 -3.898 -9.512 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -3.082 -6.575 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 725 -4.524 -7.161 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 725 -5.176 -8.268 -3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -4.116 -7.294 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -2.924 -8.169 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -2.981 -6.391 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -6.037 -6.132 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -4.909 -5.229 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -6.221 -6.183 -3.984 1.00 0.00 H new ATOM 1529 N SER A 726 -3.521 -9.368 -7.075 1.00 0.00 N ATOM 1530 CA SER A 726 -3.156 -9.540 -8.477 1.00 0.00 C ATOM 1531 C SER A 726 -4.393 -9.840 -9.316 1.00 0.00 C ATOM 1532 O SER A 726 -4.314 -9.956 -10.538 1.00 0.00 O ATOM 1533 CB SER A 726 -2.153 -10.685 -8.620 1.00 0.00 C ATOM 1534 OG SER A 726 -1.307 -10.715 -7.478 1.00 0.00 O ATOM 0 H SER A 726 -4.466 -9.674 -6.842 1.00 0.00 H new ATOM 0 HA SER A 726 -2.703 -8.614 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 726 -2.679 -11.634 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 726 -1.558 -10.552 -9.524 1.00 0.00 H new ATOM 0 HG SER A 726 -0.905 -9.831 -7.346 1.00 0.00 H new ATOM 1540 N LYS A 727 -5.534 -9.962 -8.647 1.00 0.00 N ATOM 1541 CA LYS A 727 -6.787 -10.244 -9.335 1.00 0.00 C ATOM 1542 C LYS A 727 -7.887 -9.315 -8.834 1.00 0.00 C ATOM 1543 O LYS A 727 -8.712 -9.701 -8.006 1.00 0.00 O ATOM 1544 CB LYS A 727 -7.196 -11.700 -9.102 1.00 0.00 C ATOM 1545 CG LYS A 727 -8.333 -12.067 -10.057 1.00 0.00 C ATOM 1546 CD LYS A 727 -7.773 -12.862 -11.239 1.00 0.00 C ATOM 1547 CE LYS A 727 -8.874 -13.070 -12.280 1.00 0.00 C ATOM 1548 NZ LYS A 727 -10.015 -13.796 -11.656 1.00 0.00 N ATOM 0 H LYS A 727 -5.617 -9.871 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 727 -6.643 -10.078 -10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 727 -6.343 -12.359 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 727 -7.515 -11.839 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 727 -9.086 -12.656 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 727 -8.827 -11.164 -10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 727 -6.933 -12.329 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 727 -7.394 -13.825 -10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 727 -9.209 -12.108 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 727 -8.487 -13.637 -13.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 727 -10.625 -14.189 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 727 -9.652 -14.568 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 727 -10.566 -13.138 -11.069 1.00 0.00 H new ATOM 1562 N PRO A 728 -7.905 -8.103 -9.318 1.00 0.00 N ATOM 1563 CA PRO A 728 -8.919 -7.086 -8.913 1.00 0.00 C ATOM 1564 C PRO A 728 -10.343 -7.629 -9.000 1.00 0.00 C ATOM 1565 O PRO A 728 -10.681 -8.367 -9.926 1.00 0.00 O ATOM 1566 CB PRO A 728 -8.712 -5.945 -9.912 1.00 0.00 C ATOM 1567 CG PRO A 728 -7.310 -6.090 -10.407 1.00 0.00 C ATOM 1568 CD PRO A 728 -6.955 -7.573 -10.306 1.00 0.00 C ATOM 0 HA PRO A 728 -8.794 -6.777 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 728 -9.426 -6.009 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 728 -8.861 -4.976 -9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 728 -7.226 -5.742 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 728 -6.625 -5.487 -9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 728 -7.060 -8.074 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 728 -5.924 -7.715 -9.983 1.00 0.00 H new ATOM 1576 N LEU A 729 -11.175 -7.259 -8.029 1.00 0.00 N ATOM 1577 CA LEU A 729 -12.559 -7.718 -8.009 1.00 0.00 C ATOM 1578 C LEU A 729 -13.307 -7.138 -6.811 1.00 0.00 C ATOM 1579 O LEU A 729 -12.974 -7.424 -5.660 1.00 0.00 O ATOM 1580 CB LEU A 729 -12.596 -9.249 -7.947 1.00 0.00 C ATOM 1581 CG LEU A 729 -13.330 -9.805 -9.171 1.00 0.00 C ATOM 1582 CD1 LEU A 729 -12.943 -11.271 -9.375 1.00 0.00 C ATOM 1583 CD2 LEU A 729 -14.840 -9.704 -8.947 1.00 0.00 C ATOM 0 H LEU A 729 -10.917 -6.649 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 729 -13.048 -7.376 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -11.581 -9.644 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -13.097 -9.572 -7.034 1.00 0.00 H new ATOM 0 HG LEU A 729 -13.053 -9.229 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -13.465 -11.667 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -11.867 -11.345 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -13.221 -11.847 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -15.364 -10.099 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -15.116 -10.281 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -15.117 -8.660 -8.800 1.00 0.00 H new ATOM 1595 N ASP A 730 -14.324 -6.329 -7.091 1.00 0.00 N ATOM 1596 CA ASP A 730 -15.121 -5.722 -6.031 1.00 0.00 C ATOM 1597 C ASP A 730 -14.230 -4.923 -5.072 1.00 0.00 C ATOM 1598 O ASP A 730 -13.310 -5.478 -4.470 1.00 0.00 O ATOM 1599 CB ASP A 730 -15.858 -6.814 -5.253 1.00 0.00 C ATOM 1600 CG ASP A 730 -16.683 -6.193 -4.131 1.00 0.00 C ATOM 1601 OD1 ASP A 730 -16.491 -5.019 -3.861 1.00 0.00 O ATOM 1602 OD2 ASP A 730 -17.497 -6.900 -3.560 1.00 0.00 O ATOM 0 H ASP A 730 -14.614 -6.080 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 730 -15.842 -5.042 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -16.508 -7.374 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -15.141 -7.523 -4.838 1.00 0.00 H new ATOM 1607 N PRO A 731 -14.477 -3.641 -4.917 1.00 0.00 N ATOM 1608 CA PRO A 731 -13.667 -2.776 -4.009 1.00 0.00 C ATOM 1609 C PRO A 731 -13.909 -3.099 -2.537 1.00 0.00 C ATOM 1610 O PRO A 731 -13.175 -2.641 -1.660 1.00 0.00 O ATOM 1611 CB PRO A 731 -14.121 -1.353 -4.336 1.00 0.00 C ATOM 1612 CG PRO A 731 -15.469 -1.484 -4.963 1.00 0.00 C ATOM 1613 CD PRO A 731 -15.550 -2.880 -5.582 1.00 0.00 C ATOM 0 HA PRO A 731 -12.598 -2.926 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 731 -14.168 -0.742 -3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 731 -13.421 -0.867 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO A 731 -16.254 -1.348 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 731 -15.615 -0.717 -5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 731 -16.525 -3.335 -5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 731 -15.402 -2.845 -6.661 1.00 0.00 H new ATOM 1621 N GLN A 732 -14.943 -3.890 -2.275 1.00 0.00 N ATOM 1622 CA GLN A 732 -15.274 -4.265 -0.907 1.00 0.00 C ATOM 1623 C GLN A 732 -14.241 -5.240 -0.358 1.00 0.00 C ATOM 1624 O GLN A 732 -14.014 -5.302 0.850 1.00 0.00 O ATOM 1625 CB GLN A 732 -16.662 -4.908 -0.861 1.00 0.00 C ATOM 1626 CG GLN A 732 -17.718 -3.879 -1.268 1.00 0.00 C ATOM 1627 CD GLN A 732 -17.769 -2.753 -0.240 1.00 0.00 C ATOM 1628 OE1 GLN A 732 -17.782 -3.011 0.964 1.00 0.00 O ATOM 1629 NE2 GLN A 732 -17.799 -1.513 -0.644 1.00 0.00 N ATOM 0 H GLN A 732 -15.562 -4.281 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 732 -15.272 -3.365 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 732 -16.699 -5.766 -1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 732 -16.869 -5.279 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 732 -17.483 -3.474 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 732 -18.694 -4.358 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 732 -17.788 -1.301 -1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 732 -17.833 -0.755 0.038 1.00 0.00 H new ATOM 1638 N LEU A 733 -13.616 -6.000 -1.251 1.00 0.00 N ATOM 1639 CA LEU A 733 -12.608 -6.964 -0.832 1.00 0.00 C ATOM 1640 C LEU A 733 -11.393 -6.245 -0.257 1.00 0.00 C ATOM 1641 O LEU A 733 -10.932 -6.569 0.837 1.00 0.00 O ATOM 1642 CB LEU A 733 -12.179 -7.819 -2.026 1.00 0.00 C ATOM 1643 CG LEU A 733 -11.122 -8.827 -1.578 1.00 0.00 C ATOM 1644 CD1 LEU A 733 -11.762 -9.862 -0.651 1.00 0.00 C ATOM 1645 CD2 LEU A 733 -10.542 -9.533 -2.805 1.00 0.00 C ATOM 0 H LEU A 733 -13.787 -5.968 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 733 -13.037 -7.605 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -13.041 -8.341 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -11.779 -7.184 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 733 -10.326 -8.306 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -11.007 -10.581 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -12.178 -9.360 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -12.558 -10.384 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -9.787 -10.253 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -11.339 -10.053 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -10.086 -8.797 -3.467 1.00 0.00 H new ATOM 1657 N LEU A 734 -10.887 -5.257 -0.989 1.00 0.00 N ATOM 1658 CA LEU A 734 -9.738 -4.495 -0.520 1.00 0.00 C ATOM 1659 C LEU A 734 -10.057 -3.837 0.817 1.00 0.00 C ATOM 1660 O LEU A 734 -9.238 -3.842 1.737 1.00 0.00 O ATOM 1661 CB LEU A 734 -9.354 -3.425 -1.544 1.00 0.00 C ATOM 1662 CG LEU A 734 -8.709 -4.087 -2.765 1.00 0.00 C ATOM 1663 CD1 LEU A 734 -9.774 -4.346 -3.832 1.00 0.00 C ATOM 1664 CD2 LEU A 734 -7.633 -3.160 -3.334 1.00 0.00 C ATOM 0 H LEU A 734 -11.250 -4.969 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 734 -8.898 -5.178 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 734 -10.238 -2.864 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 734 -8.662 -2.712 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 734 -8.258 -5.034 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 734 -9.313 -4.817 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 734 -10.542 -5.005 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 734 -10.227 -3.401 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 734 -7.172 -3.628 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 734 -8.087 -2.214 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 734 -6.873 -2.976 -2.575 1.00 0.00 H new ATOM 1676 N LEU A 735 -11.260 -3.277 0.917 1.00 0.00 N ATOM 1677 CA LEU A 735 -11.687 -2.622 2.147 1.00 0.00 C ATOM 1678 C LEU A 735 -11.735 -3.627 3.293 1.00 0.00 C ATOM 1679 O LEU A 735 -11.336 -3.323 4.417 1.00 0.00 O ATOM 1680 CB LEU A 735 -13.070 -1.998 1.947 1.00 0.00 C ATOM 1681 CG LEU A 735 -13.493 -1.263 3.219 1.00 0.00 C ATOM 1682 CD1 LEU A 735 -12.637 -0.008 3.393 1.00 0.00 C ATOM 1683 CD2 LEU A 735 -14.968 -0.863 3.107 1.00 0.00 C ATOM 0 H LEU A 735 -11.951 -3.264 0.166 1.00 0.00 H new ATOM 0 HA LEU A 735 -10.970 -1.840 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 735 -13.049 -1.306 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 735 -13.797 -2.773 1.704 1.00 0.00 H new ATOM 0 HG LEU A 735 -13.356 -1.917 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 735 -12.939 0.516 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 735 -11.587 -0.291 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 735 -12.774 0.648 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 735 -15.273 -0.339 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 735 -15.103 -0.208 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 735 -15.579 -1.757 2.983 1.00 0.00 H new ATOM 1695 N THR A 736 -12.224 -4.826 2.995 1.00 0.00 N ATOM 1696 CA THR A 736 -12.318 -5.875 4.003 1.00 0.00 C ATOM 1697 C THR A 736 -10.936 -6.218 4.553 1.00 0.00 C ATOM 1698 O THR A 736 -10.776 -6.454 5.751 1.00 0.00 O ATOM 1699 CB THR A 736 -12.958 -7.125 3.396 1.00 0.00 C ATOM 1700 OG1 THR A 736 -14.218 -6.785 2.834 1.00 0.00 O ATOM 1701 CG2 THR A 736 -13.151 -8.180 4.485 1.00 0.00 C ATOM 0 H THR A 736 -12.559 -5.094 2.070 1.00 0.00 H new ATOM 0 HA THR A 736 -12.939 -5.512 4.822 1.00 0.00 H new ATOM 0 HB THR A 736 -12.309 -7.525 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 736 -14.102 -6.545 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 736 -13.607 -9.070 4.052 1.00 0.00 H new ATOM 0 HG22 THR A 736 -12.184 -8.440 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 736 -13.800 -7.783 5.265 1.00 0.00 H new ATOM 1709 N THR A 737 -9.943 -6.250 3.670 1.00 0.00 N ATOM 1710 CA THR A 737 -8.581 -6.572 4.082 1.00 0.00 C ATOM 1711 C THR A 737 -8.065 -5.547 5.085 1.00 0.00 C ATOM 1712 O THR A 737 -7.462 -5.906 6.097 1.00 0.00 O ATOM 1713 CB THR A 737 -7.662 -6.602 2.859 1.00 0.00 C ATOM 1714 OG1 THR A 737 -8.188 -7.505 1.897 1.00 0.00 O ATOM 1715 CG2 THR A 737 -6.264 -7.057 3.279 1.00 0.00 C ATOM 0 H THR A 737 -10.053 -6.059 2.674 1.00 0.00 H new ATOM 0 HA THR A 737 -8.587 -7.553 4.558 1.00 0.00 H new ATOM 0 HB THR A 737 -7.600 -5.604 2.426 1.00 0.00 H new ATOM 0 HG1 THR A 737 -8.973 -7.105 1.468 1.00 0.00 H new ATOM 0 HG21 THR A 737 -5.611 -7.078 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 737 -5.862 -6.363 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 737 -6.321 -8.055 3.713 1.00 0.00 H new ATOM 1723 N LEU A 738 -8.310 -4.271 4.806 1.00 0.00 N ATOM 1724 CA LEU A 738 -7.868 -3.210 5.703 1.00 0.00 C ATOM 1725 C LEU A 738 -8.606 -3.312 7.032 1.00 0.00 C ATOM 1726 O LEU A 738 -8.034 -3.079 8.097 1.00 0.00 O ATOM 1727 CB LEU A 738 -8.130 -1.844 5.066 1.00 0.00 C ATOM 1728 CG LEU A 738 -7.425 -1.774 3.710 1.00 0.00 C ATOM 1729 CD1 LEU A 738 -7.511 -0.349 3.162 1.00 0.00 C ATOM 1730 CD2 LEU A 738 -5.957 -2.169 3.877 1.00 0.00 C ATOM 0 H LEU A 738 -8.807 -3.949 3.975 1.00 0.00 H new ATOM 0 HA LEU A 738 -6.798 -3.320 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 738 -9.201 -1.688 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 738 -7.767 -1.050 5.719 1.00 0.00 H new ATOM 0 HG LEU A 738 -7.909 -2.460 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 738 -7.009 -0.300 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 738 -8.557 -0.068 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 738 -7.029 0.338 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 738 -5.455 -2.119 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 738 -5.473 -1.484 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 738 -5.896 -3.185 4.266 1.00 0.00 H new ATOM 1742 N GLN A 739 -9.881 -3.676 6.953 1.00 0.00 N ATOM 1743 CA GLN A 739 -10.706 -3.825 8.145 1.00 0.00 C ATOM 1744 C GLN A 739 -10.180 -4.960 9.017 1.00 0.00 C ATOM 1745 O GLN A 739 -10.320 -4.936 10.240 1.00 0.00 O ATOM 1746 CB GLN A 739 -12.153 -4.114 7.740 1.00 0.00 C ATOM 1747 CG GLN A 739 -13.052 -4.072 8.976 1.00 0.00 C ATOM 1748 CD GLN A 739 -14.484 -4.423 8.589 1.00 0.00 C ATOM 1749 OE1 GLN A 739 -14.778 -5.576 8.273 1.00 0.00 O ATOM 1750 NE2 GLN A 739 -15.397 -3.491 8.589 1.00 0.00 N ATOM 0 H GLN A 739 -10.365 -3.873 6.077 1.00 0.00 H new ATOM 0 HA GLN A 739 -10.667 -2.897 8.715 1.00 0.00 H new ATOM 0 HB2 GLN A 739 -12.490 -3.380 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 739 -12.219 -5.092 7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 739 -12.687 -4.773 9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 739 -13.021 -3.080 9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 739 -15.151 -2.536 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 739 -16.356 -3.717 8.327 1.00 0.00 H new ATOM 1759 N GLY A 740 -9.581 -5.957 8.374 1.00 0.00 N ATOM 1760 CA GLY A 740 -9.042 -7.108 9.090 1.00 0.00 C ATOM 1761 C GLY A 740 -8.279 -6.681 10.340 1.00 0.00 C ATOM 1762 O GLY A 740 -7.861 -7.523 11.135 1.00 0.00 O ATOM 0 H GLY A 740 -9.457 -5.992 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 740 -9.855 -7.777 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 740 -8.379 -7.670 8.432 1.00 0.00 H new ATOM 1766 N LEU A 741 -8.102 -5.376 10.517 1.00 0.00 N ATOM 1767 CA LEU A 741 -7.391 -4.874 11.687 1.00 0.00 C ATOM 1768 C LEU A 741 -8.291 -4.909 12.915 1.00 0.00 C ATOM 1769 O LEU A 741 -7.858 -5.285 14.004 1.00 0.00 O ATOM 1770 CB LEU A 741 -6.917 -3.439 11.446 1.00 0.00 C ATOM 1771 CG LEU A 741 -5.835 -3.425 10.364 1.00 0.00 C ATOM 1772 CD1 LEU A 741 -5.325 -1.995 10.172 1.00 0.00 C ATOM 1773 CD2 LEU A 741 -4.674 -4.323 10.799 1.00 0.00 C ATOM 0 H LEU A 741 -8.435 -4.656 9.876 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.527 -5.515 11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -7.757 -2.815 11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.525 -3.016 12.371 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.252 -3.792 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.554 -1.984 9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -6.151 -1.352 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.906 -1.629 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -3.901 -4.316 10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.258 -3.952 11.736 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -5.035 -5.342 10.941 1.00 0.00 H new