USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 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 : no HD1:sc= -6.44! C(o=-8.1!,f=-17!) USER MOD Set 1.2: A 696 HIS : no HD1:sc= -1.68! K(o=-8.1!,f=-9.6) USER MOD Set 2.1: A 677 MET CE :methyl 176:sc= -1.03 (180deg=-0.926) USER MOD Set 2.2: A 685 SER OG : rot 180:sc= -0.128 USER MOD Set 2.3: A 686 CYS SG : rot -160:sc= -0.318 USER MOD Set 3.1: A 644 CYS SG : rot -53:sc= 0.206 USER MOD Set 3.2: A 648 THR OG1 : rot 71:sc= 0.437! USER MOD Single : A 629 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 641 THR OG1 : rot 92:sc= 0.553! USER MOD Single : A 646 MET CE :methyl 168:sc= 0 (180deg=-0.116) USER MOD Single : A 653 LYS NZ :NH3+ 163:sc= -0.0362 (180deg=-0.401) USER MOD Single : A 661 SER OG : rot 180:sc= 0 USER MOD Single : A 662 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 671 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.65) USER MOD Single : A 684 GLN :FLIP amide:sc= -0.289 F(o=-3,f=-0.29) USER MOD Single : A 691 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 718 THR OG1 : rot 180:sc= 0 USER MOD Single : A 720 GLN : amide:sc= -0.765 K(o=-0.76,f=-3.7!) USER MOD Single : A 722 SER OG : rot -32:sc= 0.649 USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 727 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 732 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 736 THR OG1 : rot 83:sc= 1.06 USER MOD Single : A 737 THR OG1 : rot 67:sc= 0.197 USER MOD Single : A 739 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 13 N GLY A 628 -6.786 7.396 10.034 1.00 0.00 N ATOM 14 CA GLY A 628 -7.558 6.650 9.050 1.00 0.00 C ATOM 15 C GLY A 628 -7.064 6.945 7.638 1.00 0.00 C ATOM 16 O GLY A 628 -7.739 6.636 6.657 1.00 0.00 O ATOM 0 HA2 GLY A 628 -7.478 5.582 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 628 -8.613 6.912 9.133 1.00 0.00 H new ATOM 20 N HIS A 629 -5.883 7.549 7.544 1.00 0.00 N ATOM 21 CA HIS A 629 -5.312 7.884 6.244 1.00 0.00 C ATOM 22 C HIS A 629 -4.494 6.722 5.693 1.00 0.00 C ATOM 23 O HIS A 629 -3.721 6.092 6.416 1.00 0.00 O ATOM 24 CB HIS A 629 -4.425 9.123 6.364 1.00 0.00 C ATOM 25 CG HIS A 629 -5.246 10.351 6.090 1.00 0.00 C ATOM 26 ND1 HIS A 629 -5.057 11.129 4.959 1.00 0.00 N ATOM 27 CD2 HIS A 629 -6.269 10.943 6.787 1.00 0.00 C ATOM 28 CE1 HIS A 629 -5.946 12.137 5.007 1.00 0.00 C ATOM 29 NE2 HIS A 629 -6.710 12.071 6.102 1.00 0.00 N ATOM 0 H HIS A 629 -5.308 7.814 8.344 1.00 0.00 H new ATOM 0 HA HIS A 629 -6.132 8.089 5.556 1.00 0.00 H new ATOM 0 HB2 HIS A 629 -3.990 9.178 7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 629 -3.597 9.061 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 629 -6.671 10.588 7.724 1.00 0.00 H new ATOM 0 HE1 HIS A 629 -6.032 12.906 4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 629 -7.456 12.710 6.376 1.00 0.00 H new ATOM 38 N ILE A 630 -4.675 6.447 4.406 1.00 0.00 N ATOM 39 CA ILE A 630 -3.958 5.361 3.749 1.00 0.00 C ATOM 40 C ILE A 630 -3.031 5.911 2.667 1.00 0.00 C ATOM 41 O ILE A 630 -3.392 6.839 1.943 1.00 0.00 O ATOM 42 CB ILE A 630 -4.957 4.387 3.125 1.00 0.00 C ATOM 43 CG1 ILE A 630 -5.889 3.852 4.214 1.00 0.00 C ATOM 44 CG2 ILE A 630 -4.207 3.223 2.480 1.00 0.00 C ATOM 45 CD1 ILE A 630 -7.000 3.017 3.574 1.00 0.00 C ATOM 0 H ILE A 630 -5.312 6.961 3.797 1.00 0.00 H new ATOM 0 HA ILE A 630 -3.357 4.838 4.493 1.00 0.00 H new ATOM 0 HB ILE A 630 -5.541 4.904 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 630 -5.326 3.245 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 630 -6.321 4.680 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 630 -4.922 2.531 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 630 -3.542 3.604 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 630 -3.621 2.703 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 630 -7.663 2.637 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 630 -7.570 3.638 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 630 -6.560 2.180 3.031 1.00 0.00 H new ATOM 57 N LEU A 631 -1.837 5.335 2.562 1.00 0.00 N ATOM 58 CA LEU A 631 -0.872 5.785 1.561 1.00 0.00 C ATOM 59 C LEU A 631 -0.718 4.753 0.449 1.00 0.00 C ATOM 60 O LEU A 631 -0.552 3.562 0.712 1.00 0.00 O ATOM 61 CB LEU A 631 0.489 6.034 2.213 1.00 0.00 C ATOM 62 CG LEU A 631 1.485 6.484 1.143 1.00 0.00 C ATOM 63 CD1 LEU A 631 1.036 7.823 0.556 1.00 0.00 C ATOM 64 CD2 LEU A 631 2.871 6.646 1.771 1.00 0.00 C ATOM 0 H LEU A 631 -1.516 4.565 3.149 1.00 0.00 H new ATOM 0 HA LEU A 631 -1.245 6.714 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 631 0.401 6.796 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 631 0.845 5.125 2.699 1.00 0.00 H new ATOM 0 HG LEU A 631 1.528 5.735 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 631 1.747 8.143 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 631 0.049 7.711 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 631 0.992 8.571 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 631 3.581 6.967 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 631 2.827 7.394 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 631 3.194 5.693 2.190 1.00 0.00 H new ATOM 76 N LEU A 632 -0.777 5.220 -0.797 1.00 0.00 N ATOM 77 CA LEU A 632 -0.644 4.327 -1.943 1.00 0.00 C ATOM 78 C LEU A 632 0.292 4.916 -2.996 1.00 0.00 C ATOM 79 O LEU A 632 0.063 6.017 -3.500 1.00 0.00 O ATOM 80 CB LEU A 632 -2.019 4.083 -2.565 1.00 0.00 C ATOM 81 CG LEU A 632 -1.920 2.968 -3.610 1.00 0.00 C ATOM 82 CD1 LEU A 632 -3.305 2.363 -3.840 1.00 0.00 C ATOM 83 CD2 LEU A 632 -1.385 3.536 -4.929 1.00 0.00 C ATOM 0 H LEU A 632 -0.915 6.202 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 632 -0.220 3.386 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -2.736 3.807 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -2.387 4.998 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 632 -1.239 2.197 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 632 -3.236 1.569 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 632 -3.682 1.952 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 632 -3.985 3.136 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 632 -1.317 2.738 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 632 -2.061 4.310 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 632 -0.396 3.965 -4.766 1.00 0.00 H new ATOM 95 N LEU A 633 1.336 4.166 -3.339 1.00 0.00 N ATOM 96 CA LEU A 633 2.291 4.611 -4.349 1.00 0.00 C ATOM 97 C LEU A 633 2.110 3.807 -5.631 1.00 0.00 C ATOM 98 O LEU A 633 2.324 2.594 -5.648 1.00 0.00 O ATOM 99 CB LEU A 633 3.721 4.437 -3.836 1.00 0.00 C ATOM 100 CG LEU A 633 4.052 5.553 -2.847 1.00 0.00 C ATOM 101 CD1 LEU A 633 3.204 5.390 -1.585 1.00 0.00 C ATOM 102 CD2 LEU A 633 5.536 5.479 -2.479 1.00 0.00 C ATOM 0 H LEU A 633 1.541 3.252 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 633 2.110 5.666 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 633 3.829 3.466 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 633 4.422 4.457 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 633 3.836 6.519 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 633 3.442 6.187 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 633 2.147 5.441 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 633 3.417 4.425 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 633 5.776 6.274 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 633 5.750 4.512 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 633 6.140 5.598 -3.378 1.00 0.00 H new ATOM 114 N GLU A 634 1.708 4.483 -6.701 1.00 0.00 N ATOM 115 CA GLU A 634 1.497 3.808 -7.976 1.00 0.00 C ATOM 116 C GLU A 634 1.527 4.799 -9.136 1.00 0.00 C ATOM 117 O GLU A 634 1.298 5.994 -8.952 1.00 0.00 O ATOM 118 CB GLU A 634 0.157 3.074 -7.947 1.00 0.00 C ATOM 119 CG GLU A 634 -0.069 2.349 -9.277 1.00 0.00 C ATOM 120 CD GLU A 634 -1.411 1.625 -9.256 1.00 0.00 C ATOM 121 OE1 GLU A 634 -2.087 1.696 -8.243 1.00 0.00 O ATOM 122 OE2 GLU A 634 -1.741 1.003 -10.253 1.00 0.00 O ATOM 0 H GLU A 634 1.523 5.486 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 634 2.305 3.092 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 634 0.142 2.358 -7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 634 -0.652 3.782 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 634 -0.045 3.064 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 634 0.736 1.635 -9.453 1.00 0.00 H new ATOM 129 N GLU A 635 1.808 4.289 -10.332 1.00 0.00 N ATOM 130 CA GLU A 635 1.864 5.131 -11.523 1.00 0.00 C ATOM 131 C GLU A 635 0.762 4.738 -12.505 1.00 0.00 C ATOM 132 O GLU A 635 0.425 3.562 -12.620 1.00 0.00 O ATOM 133 CB GLU A 635 3.230 4.984 -12.198 1.00 0.00 C ATOM 134 CG GLU A 635 3.363 6.012 -13.323 1.00 0.00 C ATOM 135 CD GLU A 635 4.678 5.801 -14.066 1.00 0.00 C ATOM 136 OE1 GLU A 635 5.383 4.865 -13.726 1.00 0.00 O ATOM 137 OE2 GLU A 635 4.961 6.578 -14.963 1.00 0.00 O ATOM 0 H GLU A 635 2.000 3.302 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 635 1.716 6.169 -11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 635 4.025 5.127 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 635 3.342 3.976 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 635 2.526 5.918 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 635 3.325 7.021 -12.912 1.00 0.00 H new ATOM 144 N GLU A 636 0.210 5.739 -13.197 1.00 0.00 N ATOM 145 CA GLU A 636 -0.863 5.528 -14.178 1.00 0.00 C ATOM 146 C GLU A 636 -2.174 6.117 -13.665 1.00 0.00 C ATOM 147 O GLU A 636 -2.776 5.592 -12.729 1.00 0.00 O ATOM 148 CB GLU A 636 -1.066 4.040 -14.479 1.00 0.00 C ATOM 149 CG GLU A 636 -2.022 3.891 -15.665 1.00 0.00 C ATOM 150 CD GLU A 636 -1.329 4.333 -16.949 1.00 0.00 C ATOM 151 OE1 GLU A 636 -0.111 4.275 -16.993 1.00 0.00 O ATOM 152 OE2 GLU A 636 -2.027 4.723 -17.870 1.00 0.00 O ATOM 0 H GLU A 636 0.491 6.714 -13.095 1.00 0.00 H new ATOM 0 HA GLU A 636 -0.565 6.031 -15.098 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -0.110 3.569 -14.706 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -1.471 3.532 -13.604 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -2.345 2.854 -15.754 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -2.917 4.491 -15.499 1.00 0.00 H new ATOM 159 N ASP A 637 -2.608 7.214 -14.280 1.00 0.00 N ATOM 160 CA ASP A 637 -3.846 7.868 -13.870 1.00 0.00 C ATOM 161 C ASP A 637 -5.070 6.994 -14.154 1.00 0.00 C ATOM 162 O ASP A 637 -6.039 7.019 -13.395 1.00 0.00 O ATOM 163 CB ASP A 637 -3.989 9.219 -14.576 1.00 0.00 C ATOM 164 CG ASP A 637 -4.080 9.027 -16.086 1.00 0.00 C ATOM 165 OD1 ASP A 637 -4.247 7.899 -16.512 1.00 0.00 O ATOM 166 OD2 ASP A 637 -3.975 10.013 -16.795 1.00 0.00 O ATOM 0 H ASP A 637 -2.125 7.665 -15.057 1.00 0.00 H new ATOM 0 HA ASP A 637 -3.794 8.027 -12.793 1.00 0.00 H new ATOM 0 HB2 ASP A 637 -4.880 9.732 -14.215 1.00 0.00 H new ATOM 0 HB3 ASP A 637 -3.136 9.854 -14.335 1.00 0.00 H new ATOM 171 N GLU A 638 -5.034 6.226 -15.243 1.00 0.00 N ATOM 172 CA GLU A 638 -6.168 5.368 -15.585 1.00 0.00 C ATOM 173 C GLU A 638 -6.326 4.252 -14.561 1.00 0.00 C ATOM 174 O GLU A 638 -7.414 4.035 -14.025 1.00 0.00 O ATOM 175 CB GLU A 638 -5.974 4.751 -16.973 1.00 0.00 C ATOM 176 CG GLU A 638 -6.050 5.843 -18.041 1.00 0.00 C ATOM 177 CD GLU A 638 -5.969 5.217 -19.429 1.00 0.00 C ATOM 178 OE1 GLU A 638 -5.723 4.025 -19.505 1.00 0.00 O ATOM 179 OE2 GLU A 638 -6.154 5.939 -20.395 1.00 0.00 O ATOM 0 H GLU A 638 -4.249 6.180 -15.892 1.00 0.00 H new ATOM 0 HA GLU A 638 -7.066 5.986 -15.585 1.00 0.00 H new ATOM 0 HB2 GLU A 638 -5.010 4.246 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 638 -6.739 3.997 -17.156 1.00 0.00 H new ATOM 0 HG2 GLU A 638 -6.981 6.401 -17.938 1.00 0.00 H new ATOM 0 HG3 GLU A 638 -5.235 6.554 -17.905 1.00 0.00 H new ATOM 186 N ALA A 639 -5.234 3.551 -14.288 1.00 0.00 N ATOM 187 CA ALA A 639 -5.267 2.466 -13.320 1.00 0.00 C ATOM 188 C ALA A 639 -5.488 3.019 -11.919 1.00 0.00 C ATOM 189 O ALA A 639 -6.167 2.406 -11.096 1.00 0.00 O ATOM 190 CB ALA A 639 -3.951 1.688 -13.366 1.00 0.00 C ATOM 0 H ALA A 639 -4.324 3.712 -14.719 1.00 0.00 H new ATOM 0 HA ALA A 639 -6.090 1.796 -13.570 1.00 0.00 H new ATOM 0 HB1 ALA A 639 -3.982 0.877 -12.639 1.00 0.00 H new ATOM 0 HB2 ALA A 639 -3.807 1.275 -14.364 1.00 0.00 H new ATOM 0 HB3 ALA A 639 -3.124 2.357 -13.128 1.00 0.00 H new ATOM 196 N ALA A 640 -4.903 4.182 -11.657 1.00 0.00 N ATOM 197 CA ALA A 640 -5.034 4.813 -10.351 1.00 0.00 C ATOM 198 C ALA A 640 -6.459 5.301 -10.114 1.00 0.00 C ATOM 199 O ALA A 640 -6.984 5.182 -9.008 1.00 0.00 O ATOM 200 CB ALA A 640 -4.067 5.992 -10.245 1.00 0.00 C ATOM 0 H ALA A 640 -4.337 4.703 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 640 -4.794 4.069 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 640 -4.170 6.460 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 640 -3.044 5.636 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 640 -4.296 6.722 -11.022 1.00 0.00 H new ATOM 206 N THR A 641 -7.079 5.860 -11.148 1.00 0.00 N ATOM 207 CA THR A 641 -8.438 6.370 -11.015 1.00 0.00 C ATOM 208 C THR A 641 -9.405 5.256 -10.632 1.00 0.00 C ATOM 209 O THR A 641 -10.211 5.413 -9.716 1.00 0.00 O ATOM 210 CB THR A 641 -8.887 7.006 -12.332 1.00 0.00 C ATOM 211 OG1 THR A 641 -7.965 8.020 -12.702 1.00 0.00 O ATOM 212 CG2 THR A 641 -10.280 7.615 -12.160 1.00 0.00 C ATOM 0 H THR A 641 -6.669 5.970 -12.075 1.00 0.00 H new ATOM 0 HA THR A 641 -8.443 7.120 -10.224 1.00 0.00 H new ATOM 0 HB THR A 641 -8.923 6.244 -13.111 1.00 0.00 H new ATOM 0 HG1 THR A 641 -7.276 7.639 -13.285 1.00 0.00 H new ATOM 0 HG21 THR A 641 -10.598 8.067 -13.099 1.00 0.00 H new ATOM 0 HG22 THR A 641 -10.986 6.834 -11.876 1.00 0.00 H new ATOM 0 HG23 THR A 641 -10.250 8.378 -11.382 1.00 0.00 H new ATOM 220 N VAL A 642 -9.323 4.131 -11.333 1.00 0.00 N ATOM 221 CA VAL A 642 -10.205 3.007 -11.039 1.00 0.00 C ATOM 222 C VAL A 642 -10.037 2.563 -9.589 1.00 0.00 C ATOM 223 O VAL A 642 -11.009 2.469 -8.835 1.00 0.00 O ATOM 224 CB VAL A 642 -9.884 1.840 -11.975 1.00 0.00 C ATOM 225 CG1 VAL A 642 -10.777 0.646 -11.631 1.00 0.00 C ATOM 226 CG2 VAL A 642 -10.133 2.268 -13.424 1.00 0.00 C ATOM 0 H VAL A 642 -8.666 3.973 -12.097 1.00 0.00 H new ATOM 0 HA VAL A 642 -11.237 3.323 -11.192 1.00 0.00 H new ATOM 0 HB VAL A 642 -8.839 1.554 -11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 642 -10.547 -0.184 -12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 642 -10.598 0.343 -10.600 1.00 0.00 H new ATOM 0 HG13 VAL A 642 -11.823 0.928 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 642 -9.905 1.438 -14.093 1.00 0.00 H new ATOM 0 HG22 VAL A 642 -11.178 2.554 -13.544 1.00 0.00 H new ATOM 0 HG23 VAL A 642 -9.494 3.117 -13.668 1.00 0.00 H new ATOM 236 N VAL A 643 -8.794 2.293 -9.208 1.00 0.00 N ATOM 237 CA VAL A 643 -8.495 1.859 -7.850 1.00 0.00 C ATOM 238 C VAL A 643 -8.923 2.908 -6.827 1.00 0.00 C ATOM 239 O VAL A 643 -9.547 2.581 -5.819 1.00 0.00 O ATOM 240 CB VAL A 643 -6.998 1.585 -7.716 1.00 0.00 C ATOM 241 CG1 VAL A 643 -6.631 1.456 -6.237 1.00 0.00 C ATOM 242 CG2 VAL A 643 -6.654 0.281 -8.439 1.00 0.00 C ATOM 0 H VAL A 643 -7.980 2.367 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 643 -9.055 0.945 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 643 -6.438 2.409 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 643 -5.563 1.261 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 643 -6.877 2.383 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 643 -7.191 0.633 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 643 -5.586 0.083 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 643 -7.216 -0.541 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 643 -6.915 0.370 -9.494 1.00 0.00 H new ATOM 252 N CYS A 644 -8.583 4.169 -7.087 1.00 0.00 N ATOM 253 CA CYS A 644 -8.940 5.247 -6.168 1.00 0.00 C ATOM 254 C CYS A 644 -10.442 5.271 -5.930 1.00 0.00 C ATOM 255 O CYS A 644 -10.897 5.489 -4.808 1.00 0.00 O ATOM 256 CB CYS A 644 -8.492 6.599 -6.729 1.00 0.00 C ATOM 257 SG CYS A 644 -8.085 7.716 -5.363 1.00 0.00 S ATOM 0 H CYS A 644 -8.068 4.467 -7.915 1.00 0.00 H new ATOM 0 HA CYS A 644 -8.432 5.065 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 644 -7.624 6.467 -7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 644 -9.283 7.030 -7.342 1.00 0.00 H new ATOM 0 HG CYS A 644 -9.084 7.768 -4.533 1.00 0.00 H new ATOM 263 N GLU A 645 -11.210 5.043 -6.987 1.00 0.00 N ATOM 264 CA GLU A 645 -12.657 5.041 -6.861 1.00 0.00 C ATOM 265 C GLU A 645 -13.094 3.943 -5.896 1.00 0.00 C ATOM 266 O GLU A 645 -14.035 4.122 -5.125 1.00 0.00 O ATOM 267 CB GLU A 645 -13.305 4.813 -8.228 1.00 0.00 C ATOM 268 CG GLU A 645 -14.811 5.064 -8.131 1.00 0.00 C ATOM 269 CD GLU A 645 -15.083 6.558 -7.986 1.00 0.00 C ATOM 270 OE1 GLU A 645 -14.245 7.336 -8.411 1.00 0.00 O ATOM 271 OE2 GLU A 645 -16.126 6.903 -7.455 1.00 0.00 O ATOM 0 H GLU A 645 -10.860 4.860 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 645 -12.976 6.008 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 645 -12.862 5.480 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 645 -13.117 3.794 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 645 -15.310 4.680 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 645 -15.223 4.526 -7.277 1.00 0.00 H new ATOM 278 N MET A 646 -12.401 2.806 -5.946 1.00 0.00 N ATOM 279 CA MET A 646 -12.732 1.686 -5.067 1.00 0.00 C ATOM 280 C MET A 646 -12.463 2.031 -3.601 1.00 0.00 C ATOM 281 O MET A 646 -13.350 1.908 -2.755 1.00 0.00 O ATOM 282 CB MET A 646 -11.910 0.455 -5.457 1.00 0.00 C ATOM 283 CG MET A 646 -12.380 -0.067 -6.817 1.00 0.00 C ATOM 284 SD MET A 646 -11.497 -1.596 -7.216 1.00 0.00 S ATOM 285 CE MET A 646 -12.216 -1.853 -8.857 1.00 0.00 C ATOM 0 H MET A 646 -11.617 2.637 -6.577 1.00 0.00 H new ATOM 0 HA MET A 646 -13.795 1.474 -5.183 1.00 0.00 H new ATOM 0 HB2 MET A 646 -10.851 0.711 -5.501 1.00 0.00 H new ATOM 0 HB3 MET A 646 -12.019 -0.322 -4.700 1.00 0.00 H new ATOM 0 HG2 MET A 646 -13.454 -0.250 -6.797 1.00 0.00 H new ATOM 0 HG3 MET A 646 -12.199 0.682 -7.588 1.00 0.00 H new ATOM 0 HE1 MET A 646 -11.657 -2.628 -9.382 1.00 0.00 H new ATOM 0 HE2 MET A 646 -13.256 -2.162 -8.754 1.00 0.00 H new ATOM 0 HE3 MET A 646 -12.168 -0.924 -9.425 1.00 0.00 H new ATOM 295 N LEU A 647 -11.240 2.466 -3.302 1.00 0.00 N ATOM 296 CA LEU A 647 -10.893 2.820 -1.930 1.00 0.00 C ATOM 297 C LEU A 647 -11.648 4.069 -1.493 1.00 0.00 C ATOM 298 O LEU A 647 -12.175 4.129 -0.382 1.00 0.00 O ATOM 299 CB LEU A 647 -9.384 3.061 -1.803 1.00 0.00 C ATOM 300 CG LEU A 647 -8.636 1.723 -1.806 1.00 0.00 C ATOM 301 CD1 LEU A 647 -7.986 1.499 -3.171 1.00 0.00 C ATOM 302 CD2 LEU A 647 -7.551 1.747 -0.726 1.00 0.00 C ATOM 0 H LEU A 647 -10.486 2.580 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 647 -11.177 1.989 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -9.036 3.683 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -9.171 3.604 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 647 -9.339 0.915 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -7.455 0.547 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -8.756 1.484 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -7.283 2.306 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -7.017 0.797 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -6.851 2.557 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -8.012 1.905 0.249 1.00 0.00 H new ATOM 314 N THR A 648 -11.702 5.062 -2.374 1.00 0.00 N ATOM 315 CA THR A 648 -12.407 6.298 -2.059 1.00 0.00 C ATOM 316 C THR A 648 -13.852 5.998 -1.673 1.00 0.00 C ATOM 317 O THR A 648 -14.385 6.572 -0.722 1.00 0.00 O ATOM 318 CB THR A 648 -12.380 7.243 -3.264 1.00 0.00 C ATOM 319 OG1 THR A 648 -11.039 7.411 -3.703 1.00 0.00 O ATOM 320 CG2 THR A 648 -12.960 8.600 -2.860 1.00 0.00 C ATOM 0 H THR A 648 -11.273 5.037 -3.299 1.00 0.00 H new ATOM 0 HA THR A 648 -11.907 6.778 -1.218 1.00 0.00 H new ATOM 0 HB THR A 648 -12.976 6.820 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 648 -10.726 6.582 -4.122 1.00 0.00 H new ATOM 0 HG21 THR A 648 -12.941 9.273 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 648 -13.988 8.470 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 648 -12.364 9.024 -2.052 1.00 0.00 H new ATOM 328 N ALA A 649 -14.478 5.092 -2.418 1.00 0.00 N ATOM 329 CA ALA A 649 -15.861 4.712 -2.153 1.00 0.00 C ATOM 330 C ALA A 649 -15.966 3.929 -0.848 1.00 0.00 C ATOM 331 O ALA A 649 -17.015 3.914 -0.205 1.00 0.00 O ATOM 332 CB ALA A 649 -16.401 3.864 -3.305 1.00 0.00 C ATOM 0 H ALA A 649 -14.051 4.609 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 649 -16.454 5.622 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 649 -17.434 3.585 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 649 -16.358 4.438 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 649 -15.796 2.963 -3.409 1.00 0.00 H new ATOM 338 N ALA A 650 -14.875 3.271 -0.465 1.00 0.00 N ATOM 339 CA ALA A 650 -14.866 2.483 0.763 1.00 0.00 C ATOM 340 C ALA A 650 -14.945 3.393 1.986 1.00 0.00 C ATOM 341 O ALA A 650 -15.052 2.920 3.117 1.00 0.00 O ATOM 342 CB ALA A 650 -13.589 1.643 0.834 1.00 0.00 C ATOM 0 H ALA A 650 -13.995 3.267 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 650 -15.735 1.826 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 650 -13.589 1.057 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 650 -13.547 0.972 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 650 -12.720 2.301 0.823 1.00 0.00 H new ATOM 348 N GLY A 651 -14.904 4.700 1.749 1.00 0.00 N ATOM 349 CA GLY A 651 -14.984 5.670 2.837 1.00 0.00 C ATOM 350 C GLY A 651 -13.599 6.023 3.368 1.00 0.00 C ATOM 351 O GLY A 651 -13.465 6.840 4.280 1.00 0.00 O ATOM 0 H GLY A 651 -14.816 5.111 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 651 -15.482 6.574 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 651 -15.593 5.264 3.645 1.00 0.00 H new ATOM 355 N PHE A 652 -12.570 5.407 2.797 1.00 0.00 N ATOM 356 CA PHE A 652 -11.203 5.671 3.229 1.00 0.00 C ATOM 357 C PHE A 652 -10.520 6.678 2.310 1.00 0.00 C ATOM 358 O PHE A 652 -10.640 6.598 1.087 1.00 0.00 O ATOM 359 CB PHE A 652 -10.393 4.374 3.250 1.00 0.00 C ATOM 360 CG PHE A 652 -10.942 3.454 4.312 1.00 0.00 C ATOM 361 CD1 PHE A 652 -10.681 3.716 5.662 1.00 0.00 C ATOM 362 CD2 PHE A 652 -11.712 2.341 3.949 1.00 0.00 C ATOM 363 CE1 PHE A 652 -11.188 2.866 6.650 1.00 0.00 C ATOM 364 CE2 PHE A 652 -12.219 1.490 4.938 1.00 0.00 C ATOM 365 CZ PHE A 652 -11.957 1.752 6.288 1.00 0.00 C ATOM 0 H PHE A 652 -12.655 4.728 2.041 1.00 0.00 H new ATOM 0 HA PHE A 652 -11.248 6.090 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 652 -10.438 3.889 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 652 -9.344 4.591 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 652 -10.088 4.575 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 652 -11.914 2.140 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 652 -10.987 3.068 7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 652 -12.812 0.631 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 652 -12.348 1.095 7.051 1.00 0.00 H new ATOM 375 N LYS A 653 -9.792 7.617 2.908 1.00 0.00 N ATOM 376 CA LYS A 653 -9.080 8.626 2.133 1.00 0.00 C ATOM 377 C LYS A 653 -7.649 8.168 1.877 1.00 0.00 C ATOM 378 O LYS A 653 -6.928 7.809 2.807 1.00 0.00 O ATOM 379 CB LYS A 653 -9.063 9.957 2.891 1.00 0.00 C ATOM 380 CG LYS A 653 -8.407 11.038 2.027 1.00 0.00 C ATOM 381 CD LYS A 653 -9.407 11.553 0.987 1.00 0.00 C ATOM 382 CE LYS A 653 -8.778 12.707 0.204 1.00 0.00 C ATOM 383 NZ LYS A 653 -7.591 12.210 -0.547 1.00 0.00 N ATOM 0 H LYS A 653 -9.681 7.700 3.919 1.00 0.00 H new ATOM 0 HA LYS A 653 -9.592 8.763 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 653 -10.080 10.252 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 653 -8.516 9.846 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 653 -8.066 11.861 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 653 -7.527 10.633 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 653 -9.688 10.749 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 653 -10.320 11.888 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 653 -9.507 13.132 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 653 -8.482 13.504 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 -7.338 12.894 -1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 -6.790 12.095 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 -7.816 11.294 -0.984 1.00 0.00 H new ATOM 397 N VAL A 654 -7.245 8.172 0.611 1.00 0.00 N ATOM 398 CA VAL A 654 -5.899 7.741 0.254 1.00 0.00 C ATOM 399 C VAL A 654 -5.182 8.810 -0.562 1.00 0.00 C ATOM 400 O VAL A 654 -5.812 9.585 -1.281 1.00 0.00 O ATOM 401 CB VAL A 654 -5.971 6.447 -0.557 1.00 0.00 C ATOM 402 CG1 VAL A 654 -6.824 5.420 0.191 1.00 0.00 C ATOM 403 CG2 VAL A 654 -6.603 6.739 -1.921 1.00 0.00 C ATOM 0 H VAL A 654 -7.823 8.465 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 654 -5.339 7.572 1.174 1.00 0.00 H new ATOM 0 HB VAL A 654 -4.966 6.049 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 654 -6.875 4.498 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 654 -6.376 5.214 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 654 -7.830 5.816 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 654 -6.656 5.818 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 654 -7.608 7.137 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 654 -5.996 7.470 -2.454 1.00 0.00 H new ATOM 413 N ILE A 655 -3.858 8.833 -0.454 1.00 0.00 N ATOM 414 CA ILE A 655 -3.058 9.798 -1.195 1.00 0.00 C ATOM 415 C ILE A 655 -2.291 9.085 -2.300 1.00 0.00 C ATOM 416 O ILE A 655 -1.603 8.095 -2.051 1.00 0.00 O ATOM 417 CB ILE A 655 -2.074 10.500 -0.258 1.00 0.00 C ATOM 418 CG1 ILE A 655 -2.837 11.096 0.927 1.00 0.00 C ATOM 419 CG2 ILE A 655 -1.356 11.619 -1.015 1.00 0.00 C ATOM 420 CD1 ILE A 655 -4.074 11.839 0.420 1.00 0.00 C ATOM 0 H ILE A 655 -3.320 8.198 0.136 1.00 0.00 H new ATOM 0 HA ILE A 655 -3.721 10.543 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 655 -1.341 9.779 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 655 -3.133 10.305 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 655 -2.192 11.778 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 655 -0.655 12.119 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 655 -0.813 11.196 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 655 -2.088 12.340 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 655 -4.616 12.263 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 655 -3.767 12.640 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 655 -4.722 11.144 -0.115 1.00 0.00 H new ATOM 432 N TRP A 656 -2.424 9.583 -3.523 1.00 0.00 N ATOM 433 CA TRP A 656 -1.749 8.969 -4.656 1.00 0.00 C ATOM 434 C TRP A 656 -0.433 9.676 -4.958 1.00 0.00 C ATOM 435 O TRP A 656 -0.412 10.865 -5.272 1.00 0.00 O ATOM 436 CB TRP A 656 -2.651 9.027 -5.885 1.00 0.00 C ATOM 437 CG TRP A 656 -2.408 7.822 -6.730 1.00 0.00 C ATOM 438 CD1 TRP A 656 -1.434 7.707 -7.660 1.00 0.00 C ATOM 439 CD2 TRP A 656 -3.130 6.558 -6.734 1.00 0.00 C ATOM 440 NE1 TRP A 656 -1.519 6.456 -8.244 1.00 0.00 N ATOM 441 CE2 TRP A 656 -2.549 5.709 -7.705 1.00 0.00 C ATOM 442 CE3 TRP A 656 -4.226 6.072 -5.998 1.00 0.00 C ATOM 443 CZ2 TRP A 656 -3.038 4.424 -7.937 1.00 0.00 C ATOM 444 CZ3 TRP A 656 -4.718 4.778 -6.227 1.00 0.00 C ATOM 445 CH2 TRP A 656 -4.126 3.957 -7.197 1.00 0.00 C ATOM 0 H TRP A 656 -2.987 10.402 -3.753 1.00 0.00 H new ATOM 0 HA TRP A 656 -1.534 7.931 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 656 -3.697 9.068 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 656 -2.449 9.933 -6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 656 -0.708 8.468 -7.907 1.00 0.00 H new ATOM 0 HE1 TRP A 656 -0.897 6.125 -8.982 1.00 0.00 H new ATOM 0 HE3 TRP A 656 -4.692 6.699 -5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 656 -2.578 3.794 -8.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 656 -5.557 4.413 -5.653 1.00 0.00 H new ATOM 0 HH2 TRP A 656 -4.511 2.963 -7.372 1.00 0.00 H new ATOM 456 N LEU A 657 0.662 8.931 -4.870 1.00 0.00 N ATOM 457 CA LEU A 657 1.979 9.490 -5.146 1.00 0.00 C ATOM 458 C LEU A 657 2.756 8.560 -6.075 1.00 0.00 C ATOM 459 O LEU A 657 2.698 7.338 -5.926 1.00 0.00 O ATOM 460 CB LEU A 657 2.751 9.695 -3.839 1.00 0.00 C ATOM 461 CG LEU A 657 3.940 10.626 -4.091 1.00 0.00 C ATOM 462 CD1 LEU A 657 3.429 12.039 -4.379 1.00 0.00 C ATOM 463 CD2 LEU A 657 4.842 10.654 -2.853 1.00 0.00 C ATOM 0 H LEU A 657 0.665 7.944 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 657 1.856 10.457 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 657 2.096 10.122 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 657 3.101 8.736 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 657 4.509 10.262 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 657 4.275 12.702 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 657 2.788 12.022 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 657 2.859 12.401 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 657 5.688 11.317 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 657 4.273 11.017 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 657 5.207 9.648 -2.646 1.00 0.00 H new ATOM 475 N VAL A 658 3.470 9.133 -7.040 1.00 0.00 N ATOM 476 CA VAL A 658 4.235 8.323 -7.985 1.00 0.00 C ATOM 477 C VAL A 658 5.708 8.259 -7.589 1.00 0.00 C ATOM 478 O VAL A 658 6.485 7.505 -8.176 1.00 0.00 O ATOM 479 CB VAL A 658 4.109 8.910 -9.391 1.00 0.00 C ATOM 480 CG1 VAL A 658 2.629 9.030 -9.759 1.00 0.00 C ATOM 481 CG2 VAL A 658 4.754 10.296 -9.421 1.00 0.00 C ATOM 0 H VAL A 658 3.535 10.140 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 658 3.830 7.311 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 658 4.611 8.258 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 658 2.536 9.448 -10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 658 2.167 8.043 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 658 2.128 9.684 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 658 4.666 10.717 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 658 4.249 10.948 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 658 5.808 10.213 -9.154 1.00 0.00 H new ATOM 491 N ASP A 659 6.084 9.048 -6.589 1.00 0.00 N ATOM 492 CA ASP A 659 7.466 9.070 -6.119 1.00 0.00 C ATOM 493 C ASP A 659 7.628 8.192 -4.878 1.00 0.00 C ATOM 494 O ASP A 659 6.667 7.952 -4.147 1.00 0.00 O ATOM 495 CB ASP A 659 7.881 10.504 -5.797 1.00 0.00 C ATOM 496 CG ASP A 659 7.955 11.322 -7.082 1.00 0.00 C ATOM 497 OD1 ASP A 659 7.915 10.724 -8.144 1.00 0.00 O ATOM 498 OD2 ASP A 659 8.051 12.535 -6.985 1.00 0.00 O ATOM 0 H ASP A 659 5.456 9.678 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 659 8.107 8.676 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 659 7.165 10.954 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 659 8.849 10.508 -5.296 1.00 0.00 H new ATOM 503 N GLY A 660 8.847 7.711 -4.649 1.00 0.00 N ATOM 504 CA GLY A 660 9.115 6.857 -3.496 1.00 0.00 C ATOM 505 C GLY A 660 9.695 7.647 -2.322 1.00 0.00 C ATOM 506 O GLY A 660 9.080 7.733 -1.259 1.00 0.00 O ATOM 0 H GLY A 660 9.657 7.896 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 660 8.192 6.369 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 660 9.811 6.069 -3.782 1.00 0.00 H new ATOM 510 N SER A 661 10.888 8.207 -2.513 1.00 0.00 N ATOM 511 CA SER A 661 11.545 8.966 -1.451 1.00 0.00 C ATOM 512 C SER A 661 10.675 10.126 -0.974 1.00 0.00 C ATOM 513 O SER A 661 10.604 10.404 0.224 1.00 0.00 O ATOM 514 CB SER A 661 12.884 9.510 -1.952 1.00 0.00 C ATOM 515 OG SER A 661 13.582 10.110 -0.868 1.00 0.00 O ATOM 0 H SER A 661 11.415 8.151 -3.384 1.00 0.00 H new ATOM 0 HA SER A 661 11.708 8.291 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 661 13.479 8.704 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 661 12.719 10.241 -2.743 1.00 0.00 H new ATOM 0 HG SER A 661 14.441 10.458 -1.185 1.00 0.00 H new ATOM 521 N THR A 662 10.011 10.796 -1.907 1.00 0.00 N ATOM 522 CA THR A 662 9.152 11.918 -1.550 1.00 0.00 C ATOM 523 C THR A 662 8.008 11.449 -0.661 1.00 0.00 C ATOM 524 O THR A 662 7.603 12.146 0.270 1.00 0.00 O ATOM 525 CB THR A 662 8.582 12.568 -2.811 1.00 0.00 C ATOM 526 OG1 THR A 662 9.646 12.957 -3.668 1.00 0.00 O ATOM 527 CG2 THR A 662 7.757 13.797 -2.427 1.00 0.00 C ATOM 0 H THR A 662 10.049 10.586 -2.904 1.00 0.00 H new ATOM 0 HA THR A 662 9.751 12.649 -1.006 1.00 0.00 H new ATOM 0 HB THR A 662 7.943 11.853 -3.329 1.00 0.00 H new ATOM 0 HG1 THR A 662 9.280 13.372 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 662 7.352 14.259 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 662 6.938 13.496 -1.773 1.00 0.00 H new ATOM 0 HG23 THR A 662 8.392 14.513 -1.906 1.00 0.00 H new ATOM 535 N ALA A 663 7.489 10.264 -0.958 1.00 0.00 N ATOM 536 CA ALA A 663 6.389 9.710 -0.182 1.00 0.00 C ATOM 537 C ALA A 663 6.809 9.480 1.263 1.00 0.00 C ATOM 538 O ALA A 663 6.047 9.750 2.184 1.00 0.00 O ATOM 539 CB ALA A 663 5.928 8.389 -0.797 1.00 0.00 C ATOM 0 H ALA A 663 7.810 9.673 -1.725 1.00 0.00 H new ATOM 0 HA ALA A 663 5.567 10.425 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 663 5.105 7.982 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 663 5.594 8.561 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 663 6.756 7.681 -0.800 1.00 0.00 H new ATOM 545 N LEU A 664 8.022 8.978 1.454 1.00 0.00 N ATOM 546 CA LEU A 664 8.525 8.718 2.800 1.00 0.00 C ATOM 547 C LEU A 664 8.536 9.999 3.629 1.00 0.00 C ATOM 548 O LEU A 664 8.074 10.021 4.774 1.00 0.00 O ATOM 549 CB LEU A 664 9.946 8.159 2.714 1.00 0.00 C ATOM 550 CG LEU A 664 9.939 6.877 1.881 1.00 0.00 C ATOM 551 CD1 LEU A 664 11.377 6.451 1.585 1.00 0.00 C ATOM 552 CD2 LEU A 664 9.234 5.764 2.660 1.00 0.00 C ATOM 0 H LEU A 664 8.672 8.744 0.703 1.00 0.00 H new ATOM 0 HA LEU A 664 7.868 7.994 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 664 10.611 8.895 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 664 10.329 7.954 3.714 1.00 0.00 H new ATOM 0 HG LEU A 664 9.411 7.059 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 664 11.371 5.537 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 664 11.884 7.241 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 664 11.903 6.271 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 664 9.229 4.850 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 664 9.762 5.585 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 664 8.208 6.063 2.873 1.00 0.00 H new ATOM 564 N ASP A 665 9.066 11.066 3.036 1.00 0.00 N ATOM 565 CA ASP A 665 9.142 12.351 3.719 1.00 0.00 C ATOM 566 C ASP A 665 7.749 12.858 4.068 1.00 0.00 C ATOM 567 O ASP A 665 7.534 13.427 5.138 1.00 0.00 O ATOM 568 CB ASP A 665 9.851 13.374 2.829 1.00 0.00 C ATOM 569 CG ASP A 665 10.095 14.662 3.608 1.00 0.00 C ATOM 570 OD1 ASP A 665 9.635 14.746 4.735 1.00 0.00 O ATOM 571 OD2 ASP A 665 10.736 15.547 3.065 1.00 0.00 O ATOM 0 H ASP A 665 9.447 11.065 2.090 1.00 0.00 H new ATOM 0 HA ASP A 665 9.707 12.217 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 665 10.799 12.967 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 665 9.246 13.582 1.947 1.00 0.00 H new ATOM 576 N GLN A 666 6.805 12.646 3.159 1.00 0.00 N ATOM 577 CA GLN A 666 5.433 13.082 3.382 1.00 0.00 C ATOM 578 C GLN A 666 4.666 12.051 4.202 1.00 0.00 C ATOM 579 O GLN A 666 3.803 12.404 5.005 1.00 0.00 O ATOM 580 CB GLN A 666 4.733 13.299 2.039 1.00 0.00 C ATOM 581 CG GLN A 666 5.311 14.542 1.358 1.00 0.00 C ATOM 582 CD GLN A 666 4.627 14.761 0.014 1.00 0.00 C ATOM 583 OE1 GLN A 666 3.842 13.834 -0.464 1.00 0.00 O flip ATOM 584 NE2 GLN A 666 4.821 15.797 -0.623 1.00 0.00 N flip ATOM 0 H GLN A 666 6.963 12.178 2.267 1.00 0.00 H new ATOM 0 HA GLN A 666 5.454 14.020 3.937 1.00 0.00 H new ATOM 0 HB2 GLN A 666 4.868 12.426 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 666 3.660 13.420 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 666 5.170 15.415 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 666 6.385 14.423 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 666 5.435 16.520 -0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 666 4.368 15.933 -1.527 1.00 0.00 H new ATOM 593 N LEU A 667 4.986 10.777 3.996 1.00 0.00 N ATOM 594 CA LEU A 667 4.314 9.708 4.723 1.00 0.00 C ATOM 595 C LEU A 667 4.329 9.984 6.217 1.00 0.00 C ATOM 596 O LEU A 667 3.344 9.735 6.912 1.00 0.00 O ATOM 597 CB LEU A 667 4.975 8.358 4.446 1.00 0.00 C ATOM 598 CG LEU A 667 4.107 7.256 5.062 1.00 0.00 C ATOM 599 CD1 LEU A 667 4.438 5.907 4.418 1.00 0.00 C ATOM 600 CD2 LEU A 667 4.361 7.172 6.572 1.00 0.00 C ATOM 0 H LEU A 667 5.699 10.463 3.338 1.00 0.00 H new ATOM 0 HA LEU A 667 3.281 9.671 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 667 5.081 8.201 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 667 5.978 8.333 4.872 1.00 0.00 H new ATOM 0 HG LEU A 667 3.059 7.495 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 667 3.816 5.130 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 667 4.245 5.958 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 667 5.489 5.671 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 667 3.740 6.386 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 667 5.412 6.944 6.752 1.00 0.00 H new ATOM 0 HD23 LEU A 667 4.112 8.126 7.036 1.00 0.00 H new ATOM 612 N ASP A 668 5.444 10.508 6.713 1.00 0.00 N ATOM 613 CA ASP A 668 5.541 10.812 8.133 1.00 0.00 C ATOM 614 C ASP A 668 4.402 11.744 8.525 1.00 0.00 C ATOM 615 O ASP A 668 3.841 11.639 9.615 1.00 0.00 O ATOM 616 CB ASP A 668 6.885 11.475 8.442 1.00 0.00 C ATOM 617 CG ASP A 668 7.060 11.622 9.950 1.00 0.00 C ATOM 618 OD1 ASP A 668 6.281 11.028 10.678 1.00 0.00 O ATOM 619 OD2 ASP A 668 7.969 12.328 10.354 1.00 0.00 O ATOM 0 H ASP A 668 6.276 10.727 6.166 1.00 0.00 H new ATOM 0 HA ASP A 668 5.470 9.886 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 668 7.698 10.877 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 668 6.935 12.454 7.965 1.00 0.00 H new ATOM 624 N LEU A 669 4.056 12.644 7.611 1.00 0.00 N ATOM 625 CA LEU A 669 2.969 13.585 7.844 1.00 0.00 C ATOM 626 C LEU A 669 1.618 12.887 7.698 1.00 0.00 C ATOM 627 O LEU A 669 0.639 13.269 8.339 1.00 0.00 O ATOM 628 CB LEU A 669 3.056 14.738 6.841 1.00 0.00 C ATOM 629 CG LEU A 669 4.407 15.439 6.982 1.00 0.00 C ATOM 630 CD1 LEU A 669 4.461 16.636 6.031 1.00 0.00 C ATOM 631 CD2 LEU A 669 4.579 15.926 8.423 1.00 0.00 C ATOM 0 H LEU A 669 4.512 12.741 6.704 1.00 0.00 H new ATOM 0 HA LEU A 669 3.059 13.974 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 669 2.935 14.360 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 669 2.247 15.447 7.016 1.00 0.00 H new ATOM 0 HG LEU A 669 5.207 14.741 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 669 5.424 17.137 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 669 4.336 16.291 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 669 3.662 17.334 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 669 5.542 16.426 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 669 3.779 16.625 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 669 4.538 15.074 9.102 1.00 0.00 H new ATOM 643 N LEU A 670 1.571 11.871 6.838 1.00 0.00 N ATOM 644 CA LEU A 670 0.333 11.134 6.599 1.00 0.00 C ATOM 645 C LEU A 670 -0.028 10.258 7.797 1.00 0.00 C ATOM 646 O LEU A 670 -1.202 10.108 8.135 1.00 0.00 O ATOM 647 CB LEU A 670 0.485 10.246 5.362 1.00 0.00 C ATOM 648 CG LEU A 670 0.953 11.084 4.174 1.00 0.00 C ATOM 649 CD1 LEU A 670 0.888 10.241 2.901 1.00 0.00 C ATOM 650 CD2 LEU A 670 0.051 12.312 4.020 1.00 0.00 C ATOM 0 H LEU A 670 2.371 11.541 6.298 1.00 0.00 H new ATOM 0 HA LEU A 670 -0.463 11.862 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 670 1.202 9.450 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -0.466 9.767 5.128 1.00 0.00 H new ATOM 0 HG LEU A 670 1.979 11.410 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 670 1.222 10.838 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 670 1.534 9.370 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -0.138 9.914 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 670 0.388 12.907 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -0.977 11.990 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 670 0.098 12.914 4.927 1.00 0.00 H new ATOM 662 N GLN A 671 0.986 9.675 8.429 1.00 0.00 N ATOM 663 CA GLN A 671 0.761 8.809 9.582 1.00 0.00 C ATOM 664 C GLN A 671 -0.390 7.838 9.311 1.00 0.00 C ATOM 665 O GLN A 671 -1.403 7.849 10.012 1.00 0.00 O ATOM 666 CB GLN A 671 0.438 9.657 10.814 1.00 0.00 C ATOM 667 CG GLN A 671 1.735 10.000 11.551 1.00 0.00 C ATOM 668 CD GLN A 671 2.395 8.724 12.065 1.00 0.00 C ATOM 669 OE1 GLN A 671 1.744 7.906 12.714 1.00 0.00 O ATOM 670 NE2 GLN A 671 3.656 8.505 11.813 1.00 0.00 N ATOM 0 H GLN A 671 1.965 9.785 8.165 1.00 0.00 H new ATOM 0 HA GLN A 671 1.669 8.234 9.764 1.00 0.00 H new ATOM 0 HB2 GLN A 671 -0.076 10.571 10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 671 -0.236 9.114 11.476 1.00 0.00 H new ATOM 0 HG2 GLN A 671 2.415 10.527 10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 671 1.524 10.671 12.384 1.00 0.00 H new ATOM 0 HE21 GLN A 671 4.194 9.184 11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 671 4.104 7.655 12.154 1.00 0.00 H new ATOM 679 N PRO A 672 -0.249 7.008 8.309 1.00 0.00 N ATOM 680 CA PRO A 672 -1.280 6.010 7.921 1.00 0.00 C ATOM 681 C PRO A 672 -1.102 4.674 8.640 1.00 0.00 C ATOM 682 O PRO A 672 -0.009 4.350 9.102 1.00 0.00 O ATOM 683 CB PRO A 672 -1.035 5.851 6.425 1.00 0.00 C ATOM 684 CG PRO A 672 0.439 6.051 6.251 1.00 0.00 C ATOM 685 CD PRO A 672 0.921 6.922 7.423 1.00 0.00 C ATOM 0 HA PRO A 672 -2.289 6.330 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -1.343 4.865 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -1.603 6.584 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 672 0.959 5.093 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 672 0.652 6.536 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 672 1.774 6.471 7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 672 1.237 7.908 7.083 1.00 0.00 H new ATOM 693 N ILE A 673 -2.179 3.900 8.722 1.00 0.00 N ATOM 694 CA ILE A 673 -2.119 2.599 9.377 1.00 0.00 C ATOM 695 C ILE A 673 -1.932 1.483 8.350 1.00 0.00 C ATOM 696 O ILE A 673 -1.634 0.344 8.709 1.00 0.00 O ATOM 697 CB ILE A 673 -3.396 2.357 10.185 1.00 0.00 C ATOM 698 CG1 ILE A 673 -4.575 2.135 9.234 1.00 0.00 C ATOM 699 CG2 ILE A 673 -3.678 3.573 11.069 1.00 0.00 C ATOM 700 CD1 ILE A 673 -5.824 1.786 10.045 1.00 0.00 C ATOM 0 H ILE A 673 -3.095 4.148 8.347 1.00 0.00 H new ATOM 0 HA ILE A 673 -1.263 2.594 10.052 1.00 0.00 H new ATOM 0 HB ILE A 673 -3.265 1.473 10.810 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -4.752 3.032 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -4.346 1.331 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -4.587 3.401 11.645 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -2.842 3.730 11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -3.806 4.456 10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -6.664 1.628 9.369 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -5.643 0.877 10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -6.056 2.605 10.726 1.00 0.00 H new ATOM 712 N VAL A 674 -2.104 1.820 7.072 1.00 0.00 N ATOM 713 CA VAL A 674 -1.949 0.839 5.998 1.00 0.00 C ATOM 714 C VAL A 674 -1.296 1.472 4.771 1.00 0.00 C ATOM 715 O VAL A 674 -1.605 2.608 4.404 1.00 0.00 O ATOM 716 CB VAL A 674 -3.310 0.263 5.606 1.00 0.00 C ATOM 717 CG1 VAL A 674 -3.173 -0.501 4.288 1.00 0.00 C ATOM 718 CG2 VAL A 674 -3.797 -0.693 6.700 1.00 0.00 C ATOM 0 H VAL A 674 -2.349 2.758 6.756 1.00 0.00 H new ATOM 0 HA VAL A 674 -1.307 0.039 6.366 1.00 0.00 H new ATOM 0 HB VAL A 674 -4.029 1.074 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 674 -4.141 -0.914 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 674 -2.825 0.177 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 674 -2.455 -1.312 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 674 -4.767 -1.103 6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 674 -3.080 -1.506 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 674 -3.890 -0.151 7.641 1.00 0.00 H new ATOM 728 N ILE A 675 -0.391 0.728 4.140 1.00 0.00 N ATOM 729 CA ILE A 675 0.297 1.228 2.955 1.00 0.00 C ATOM 730 C ILE A 675 0.129 0.273 1.777 1.00 0.00 C ATOM 731 O ILE A 675 0.454 -0.911 1.874 1.00 0.00 O ATOM 732 CB ILE A 675 1.788 1.389 3.251 1.00 0.00 C ATOM 733 CG1 ILE A 675 1.976 2.317 4.452 1.00 0.00 C ATOM 734 CG2 ILE A 675 2.487 1.989 2.028 1.00 0.00 C ATOM 735 CD1 ILE A 675 3.452 2.333 4.856 1.00 0.00 C ATOM 0 H ILE A 675 -0.120 -0.213 4.426 1.00 0.00 H new ATOM 0 HA ILE A 675 -0.142 2.191 2.694 1.00 0.00 H new ATOM 0 HB ILE A 675 2.220 0.414 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 675 1.645 3.325 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 675 1.363 1.978 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 675 3.550 2.105 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 675 2.355 1.327 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 675 2.053 2.963 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 675 3.588 2.994 5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 675 3.767 1.324 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 675 4.054 2.692 4.021 1.00 0.00 H new ATOM 747 N LEU A 676 -0.350 0.802 0.656 1.00 0.00 N ATOM 748 CA LEU A 676 -0.521 -0.007 -0.547 1.00 0.00 C ATOM 749 C LEU A 676 0.585 0.325 -1.541 1.00 0.00 C ATOM 750 O LEU A 676 0.938 1.491 -1.715 1.00 0.00 O ATOM 751 CB LEU A 676 -1.888 0.257 -1.184 1.00 0.00 C ATOM 752 CG LEU A 676 -2.994 -0.205 -0.232 1.00 0.00 C ATOM 753 CD1 LEU A 676 -3.445 0.968 0.637 1.00 0.00 C ATOM 754 CD2 LEU A 676 -4.184 -0.727 -1.043 1.00 0.00 C ATOM 0 H LEU A 676 -0.625 1.779 0.554 1.00 0.00 H new ATOM 0 HA LEU A 676 -0.465 -1.061 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -2.001 1.319 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -1.967 -0.272 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 676 -2.612 -1.002 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -4.233 0.637 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -2.599 1.338 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -3.825 1.767 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -4.971 -1.056 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -4.566 0.069 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -3.863 -1.566 -1.660 1.00 0.00 H new ATOM 766 N MET A 677 1.145 -0.696 -2.181 1.00 0.00 N ATOM 767 CA MET A 677 2.222 -0.462 -3.134 1.00 0.00 C ATOM 768 C MET A 677 2.060 -1.300 -4.397 1.00 0.00 C ATOM 769 O MET A 677 2.026 -2.528 -4.346 1.00 0.00 O ATOM 770 CB MET A 677 3.565 -0.792 -2.482 1.00 0.00 C ATOM 771 CG MET A 677 4.650 -0.862 -3.557 1.00 0.00 C ATOM 772 SD MET A 677 4.306 0.365 -4.843 1.00 0.00 S ATOM 773 CE MET A 677 5.676 1.482 -4.458 1.00 0.00 C ATOM 0 H MET A 677 0.878 -1.673 -2.061 1.00 0.00 H new ATOM 0 HA MET A 677 2.185 0.589 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 677 3.819 -0.032 -1.743 1.00 0.00 H new ATOM 0 HB3 MET A 677 3.501 -1.743 -1.953 1.00 0.00 H new ATOM 0 HG2 MET A 677 5.628 -0.676 -3.114 1.00 0.00 H new ATOM 0 HG3 MET A 677 4.682 -1.861 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 677 5.701 2.292 -5.187 1.00 0.00 H new ATOM 0 HE2 MET A 677 5.538 1.897 -3.459 1.00 0.00 H new ATOM 0 HE3 MET A 677 6.616 0.931 -4.495 1.00 0.00 H new ATOM 783 N ALA A 678 1.992 -0.618 -5.533 1.00 0.00 N ATOM 784 CA ALA A 678 1.871 -1.291 -6.819 1.00 0.00 C ATOM 785 C ALA A 678 3.146 -2.074 -7.114 1.00 0.00 C ATOM 786 O ALA A 678 4.217 -1.730 -6.616 1.00 0.00 O ATOM 787 CB ALA A 678 1.619 -0.269 -7.927 1.00 0.00 C ATOM 0 H ALA A 678 2.019 0.400 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 678 1.028 -1.981 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 678 1.530 -0.784 -8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 678 0.696 0.273 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 678 2.451 0.434 -7.969 1.00 0.00 H new ATOM 793 N TRP A 679 3.033 -3.126 -7.917 1.00 0.00 N ATOM 794 CA TRP A 679 4.203 -3.934 -8.247 1.00 0.00 C ATOM 795 C TRP A 679 4.615 -3.756 -9.710 1.00 0.00 C ATOM 796 O TRP A 679 4.550 -4.699 -10.500 1.00 0.00 O ATOM 797 CB TRP A 679 3.910 -5.411 -7.977 1.00 0.00 C ATOM 798 CG TRP A 679 5.184 -6.191 -8.053 1.00 0.00 C ATOM 799 CD1 TRP A 679 5.453 -7.154 -8.966 1.00 0.00 C ATOM 800 CD2 TRP A 679 6.364 -6.093 -7.202 1.00 0.00 C ATOM 801 NE1 TRP A 679 6.723 -7.651 -8.730 1.00 0.00 N ATOM 802 CE2 TRP A 679 7.325 -7.029 -7.654 1.00 0.00 C ATOM 803 CE3 TRP A 679 6.691 -5.290 -6.094 1.00 0.00 C ATOM 804 CZ2 TRP A 679 8.565 -7.165 -7.029 1.00 0.00 C ATOM 805 CZ3 TRP A 679 7.938 -5.424 -5.463 1.00 0.00 C ATOM 806 CH2 TRP A 679 8.874 -6.358 -5.930 1.00 0.00 C ATOM 0 H TRP A 679 2.161 -3.436 -8.345 1.00 0.00 H new ATOM 0 HA TRP A 679 5.027 -3.598 -7.617 1.00 0.00 H new ATOM 0 HB2 TRP A 679 3.456 -5.529 -6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 679 3.194 -5.791 -8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 679 4.786 -7.481 -9.750 1.00 0.00 H new ATOM 0 HE1 TRP A 679 7.161 -8.387 -9.284 1.00 0.00 H new ATOM 0 HE3 TRP A 679 5.979 -4.566 -5.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 679 9.281 -7.888 -7.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 679 8.178 -4.804 -4.612 1.00 0.00 H new ATOM 0 HH2 TRP A 679 9.832 -6.454 -5.441 1.00 0.00 H new ATOM 817 N PRO A 680 5.058 -2.577 -10.071 1.00 0.00 N ATOM 818 CA PRO A 680 5.521 -2.272 -11.460 1.00 0.00 C ATOM 819 C PRO A 680 6.830 -2.988 -11.782 1.00 0.00 C ATOM 820 O PRO A 680 7.483 -3.528 -10.890 1.00 0.00 O ATOM 821 CB PRO A 680 5.735 -0.754 -11.447 1.00 0.00 C ATOM 822 CG PRO A 680 5.966 -0.400 -10.018 1.00 0.00 C ATOM 823 CD PRO A 680 5.161 -1.398 -9.194 1.00 0.00 C ATOM 0 HA PRO A 680 4.807 -2.601 -12.215 1.00 0.00 H new ATOM 0 HB2 PRO A 680 6.588 -0.472 -12.065 1.00 0.00 H new ATOM 0 HB3 PRO A 680 4.866 -0.231 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 680 7.026 -0.457 -9.770 1.00 0.00 H new ATOM 0 HG3 PRO A 680 5.645 0.621 -9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 680 5.662 -1.639 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 680 4.178 -1.004 -8.937 1.00 0.00 H new ATOM 831 N PRO A 681 7.235 -2.986 -13.024 1.00 0.00 N ATOM 832 CA PRO A 681 8.508 -3.635 -13.446 1.00 0.00 C ATOM 833 C PRO A 681 9.674 -3.194 -12.561 1.00 0.00 C ATOM 834 O PRO A 681 9.520 -2.314 -11.715 1.00 0.00 O ATOM 835 CB PRO A 681 8.713 -3.167 -14.897 1.00 0.00 C ATOM 836 CG PRO A 681 7.635 -2.166 -15.186 1.00 0.00 C ATOM 837 CD PRO A 681 6.529 -2.390 -14.161 1.00 0.00 C ATOM 0 HA PRO A 681 8.464 -4.721 -13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 681 9.699 -2.720 -15.023 1.00 0.00 H new ATOM 0 HB3 PRO A 681 8.654 -4.009 -15.587 1.00 0.00 H new ATOM 0 HG2 PRO A 681 8.024 -1.150 -15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 681 7.253 -2.293 -16.199 1.00 0.00 H new ATOM 0 HD2 PRO A 681 6.041 -1.455 -13.886 1.00 0.00 H new ATOM 0 HD3 PRO A 681 5.754 -3.053 -14.545 1.00 0.00 H new ATOM 845 N PRO A 682 10.820 -3.798 -12.726 1.00 0.00 N ATOM 846 CA PRO A 682 12.025 -3.486 -11.925 1.00 0.00 C ATOM 847 C PRO A 682 12.021 -2.065 -11.372 1.00 0.00 C ATOM 848 O PRO A 682 11.958 -1.865 -10.160 1.00 0.00 O ATOM 849 CB PRO A 682 13.144 -3.703 -12.938 1.00 0.00 C ATOM 850 CG PRO A 682 12.653 -4.812 -13.825 1.00 0.00 C ATOM 851 CD PRO A 682 11.118 -4.848 -13.707 1.00 0.00 C ATOM 0 HA PRO A 682 12.113 -4.101 -11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 682 13.340 -2.796 -13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 682 14.077 -3.976 -12.444 1.00 0.00 H new ATOM 0 HG2 PRO A 682 12.955 -4.640 -14.858 1.00 0.00 H new ATOM 0 HG3 PRO A 682 13.084 -5.766 -13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 682 10.638 -4.649 -14.665 1.00 0.00 H new ATOM 0 HD3 PRO A 682 10.765 -5.823 -13.370 1.00 0.00 H new ATOM 859 N ASP A 683 12.086 -1.086 -12.263 1.00 0.00 N ATOM 860 CA ASP A 683 12.092 0.315 -11.848 1.00 0.00 C ATOM 861 C ASP A 683 13.205 0.567 -10.834 1.00 0.00 C ATOM 862 O ASP A 683 14.196 1.226 -11.148 1.00 0.00 O ATOM 863 CB ASP A 683 10.741 0.684 -11.232 1.00 0.00 C ATOM 864 CG ASP A 683 9.654 0.643 -12.300 1.00 0.00 C ATOM 865 OD1 ASP A 683 10.002 0.582 -13.468 1.00 0.00 O ATOM 866 OD2 ASP A 683 8.491 0.676 -11.935 1.00 0.00 O ATOM 0 H ASP A 683 12.135 -1.231 -13.271 1.00 0.00 H new ATOM 0 HA ASP A 683 12.269 0.935 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 683 10.498 -0.009 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 683 10.792 1.680 -10.791 1.00 0.00 H new ATOM 871 N GLN A 684 13.028 0.030 -9.625 1.00 0.00 N ATOM 872 CA GLN A 684 14.015 0.177 -8.553 1.00 0.00 C ATOM 873 C GLN A 684 13.563 1.213 -7.528 1.00 0.00 C ATOM 874 O GLN A 684 13.918 1.127 -6.352 1.00 0.00 O ATOM 875 CB GLN A 684 15.380 0.585 -9.117 1.00 0.00 C ATOM 876 CG GLN A 684 16.462 0.319 -8.069 1.00 0.00 C ATOM 877 CD GLN A 684 16.893 -1.142 -8.121 1.00 0.00 C ATOM 878 OE1 GLN A 684 16.110 -2.026 -8.677 1.00 0.00 O flip ATOM 879 NE2 GLN A 684 17.976 -1.488 -7.647 1.00 0.00 N flip ATOM 0 H GLN A 684 12.206 -0.513 -9.363 1.00 0.00 H new ATOM 0 HA GLN A 684 14.106 -0.792 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 684 15.593 0.023 -10.026 1.00 0.00 H new ATOM 0 HB3 GLN A 684 15.373 1.641 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 684 17.320 0.966 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 684 16.084 0.560 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 684 18.587 -0.796 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 684 18.262 -2.466 -7.689 1.00 0.00 H new ATOM 888 N SER A 685 12.786 2.194 -7.973 1.00 0.00 N ATOM 889 CA SER A 685 12.311 3.235 -7.069 1.00 0.00 C ATOM 890 C SER A 685 11.360 2.658 -6.025 1.00 0.00 C ATOM 891 O SER A 685 11.435 3.006 -4.847 1.00 0.00 O ATOM 892 CB SER A 685 11.593 4.325 -7.864 1.00 0.00 C ATOM 893 OG SER A 685 10.388 3.797 -8.401 1.00 0.00 O ATOM 0 H SER A 685 12.475 2.291 -8.940 1.00 0.00 H new ATOM 0 HA SER A 685 13.174 3.661 -6.557 1.00 0.00 H new ATOM 0 HB2 SER A 685 11.375 5.177 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 685 12.234 4.688 -8.667 1.00 0.00 H new ATOM 0 HG SER A 685 9.924 4.494 -8.910 1.00 0.00 H new ATOM 899 N CYS A 686 10.473 1.772 -6.459 1.00 0.00 N ATOM 900 CA CYS A 686 9.522 1.153 -5.545 1.00 0.00 C ATOM 901 C CYS A 686 10.247 0.266 -4.536 1.00 0.00 C ATOM 902 O CYS A 686 9.859 0.183 -3.369 1.00 0.00 O ATOM 903 CB CYS A 686 8.510 0.318 -6.331 1.00 0.00 C ATOM 904 SG CYS A 686 7.452 1.415 -7.307 1.00 0.00 S ATOM 0 H CYS A 686 10.392 1.468 -7.429 1.00 0.00 H new ATOM 0 HA CYS A 686 8.998 1.942 -5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 686 9.030 -0.381 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 686 7.904 -0.276 -5.647 1.00 0.00 H new ATOM 0 HG CYS A 686 6.360 0.789 -7.631 1.00 0.00 H new ATOM 910 N LEU A 687 11.299 -0.401 -5.001 1.00 0.00 N ATOM 911 CA LEU A 687 12.074 -1.291 -4.145 1.00 0.00 C ATOM 912 C LEU A 687 12.760 -0.511 -3.031 1.00 0.00 C ATOM 913 O LEU A 687 12.935 -1.020 -1.924 1.00 0.00 O ATOM 914 CB LEU A 687 13.126 -2.024 -4.979 1.00 0.00 C ATOM 915 CG LEU A 687 12.436 -2.814 -6.092 1.00 0.00 C ATOM 916 CD1 LEU A 687 13.485 -3.563 -6.916 1.00 0.00 C ATOM 917 CD2 LEU A 687 11.462 -3.818 -5.473 1.00 0.00 C ATOM 0 H LEU A 687 11.633 -0.342 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 687 11.393 -2.013 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 687 13.828 -1.309 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 687 13.703 -2.697 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 687 11.891 -2.128 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 687 12.991 -4.125 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 687 14.180 -2.848 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 687 14.032 -4.250 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 687 10.969 -4.382 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 687 12.009 -4.503 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 687 10.713 -3.285 -4.887 1.00 0.00 H new ATOM 929 N LEU A 688 13.145 0.726 -3.323 1.00 0.00 N ATOM 930 CA LEU A 688 13.805 1.551 -2.324 1.00 0.00 C ATOM 931 C LEU A 688 12.811 1.949 -1.234 1.00 0.00 C ATOM 932 O LEU A 688 13.164 2.025 -0.057 1.00 0.00 O ATOM 933 CB LEU A 688 14.413 2.794 -2.989 1.00 0.00 C ATOM 934 CG LEU A 688 13.487 3.999 -2.810 1.00 0.00 C ATOM 935 CD1 LEU A 688 13.604 4.529 -1.377 1.00 0.00 C ATOM 936 CD2 LEU A 688 13.895 5.097 -3.796 1.00 0.00 C ATOM 0 H LEU A 688 13.013 1.173 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 688 14.610 0.980 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 688 15.388 3.008 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 688 14.574 2.605 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 688 12.456 3.699 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 688 12.944 5.387 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 688 13.318 3.746 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 688 14.633 4.832 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 688 13.239 5.958 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 688 14.925 5.395 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 688 13.812 4.720 -4.815 1.00 0.00 H new ATOM 948 N LEU A 689 11.563 2.187 -1.632 1.00 0.00 N ATOM 949 CA LEU A 689 10.523 2.558 -0.677 1.00 0.00 C ATOM 950 C LEU A 689 10.349 1.463 0.371 1.00 0.00 C ATOM 951 O LEU A 689 10.289 1.739 1.569 1.00 0.00 O ATOM 952 CB LEU A 689 9.196 2.766 -1.413 1.00 0.00 C ATOM 953 CG LEU A 689 8.109 3.198 -0.423 1.00 0.00 C ATOM 954 CD1 LEU A 689 8.093 4.723 -0.309 1.00 0.00 C ATOM 955 CD2 LEU A 689 6.748 2.707 -0.922 1.00 0.00 C ATOM 0 H LEU A 689 11.250 2.130 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 689 10.819 3.483 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 689 9.315 3.523 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 689 8.899 1.844 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 689 8.317 2.767 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 689 7.319 5.027 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 689 9.063 5.072 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 689 7.885 5.159 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 689 5.972 3.012 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 689 6.542 3.139 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 689 6.760 1.620 -1.000 1.00 0.00 H new ATOM 967 N LEU A 690 10.259 0.220 -0.094 1.00 0.00 N ATOM 968 CA LEU A 690 10.081 -0.912 0.810 1.00 0.00 C ATOM 969 C LEU A 690 11.259 -1.048 1.770 1.00 0.00 C ATOM 970 O LEU A 690 11.074 -1.323 2.957 1.00 0.00 O ATOM 971 CB LEU A 690 9.922 -2.205 0.008 1.00 0.00 C ATOM 972 CG LEU A 690 8.456 -2.381 -0.397 1.00 0.00 C ATOM 973 CD1 LEU A 690 7.598 -2.537 0.860 1.00 0.00 C ATOM 974 CD2 LEU A 690 7.986 -1.156 -1.183 1.00 0.00 C ATOM 0 H LEU A 690 10.306 -0.028 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 690 9.180 -0.731 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 690 10.554 -2.174 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 690 10.250 -3.057 0.604 1.00 0.00 H new ATOM 0 HG LEU A 690 8.358 -3.269 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 690 6.554 -2.662 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 690 7.929 -3.412 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 690 7.700 -1.648 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 690 6.942 -1.286 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 690 8.084 -0.266 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 690 8.596 -1.042 -2.079 1.00 0.00 H new ATOM 986 N GLN A 691 12.469 -0.862 1.257 1.00 0.00 N ATOM 987 CA GLN A 691 13.655 -0.979 2.095 1.00 0.00 C ATOM 988 C GLN A 691 13.613 0.038 3.230 1.00 0.00 C ATOM 989 O GLN A 691 13.935 -0.282 4.374 1.00 0.00 O ATOM 990 CB GLN A 691 14.918 -0.760 1.258 1.00 0.00 C ATOM 991 CG GLN A 691 16.150 -1.069 2.110 1.00 0.00 C ATOM 992 CD GLN A 691 17.422 -0.850 1.297 1.00 0.00 C ATOM 993 OE1 GLN A 691 17.356 -0.561 0.103 1.00 0.00 O ATOM 994 NE2 GLN A 691 18.586 -0.975 1.878 1.00 0.00 N ATOM 0 H GLN A 691 12.654 -0.633 0.280 1.00 0.00 H new ATOM 0 HA GLN A 691 13.674 -1.982 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 691 14.900 -1.402 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 691 14.957 0.269 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 691 16.160 -0.430 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 691 16.108 -2.100 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 691 18.639 -1.215 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 691 19.442 -0.833 1.341 1.00 0.00 H new ATOM 1003 N HIS A 692 13.211 1.262 2.909 1.00 0.00 N ATOM 1004 CA HIS A 692 13.131 2.313 3.916 1.00 0.00 C ATOM 1005 C HIS A 692 12.198 1.900 5.048 1.00 0.00 C ATOM 1006 O HIS A 692 12.515 2.075 6.225 1.00 0.00 O ATOM 1007 CB HIS A 692 12.621 3.608 3.281 1.00 0.00 C ATOM 1008 CG HIS A 692 12.668 4.716 4.298 1.00 0.00 C ATOM 1009 ND1 HIS A 692 13.369 5.892 4.079 1.00 0.00 N ATOM 1010 CD2 HIS A 692 12.108 4.839 5.545 1.00 0.00 C ATOM 1011 CE1 HIS A 692 13.215 6.664 5.169 1.00 0.00 C ATOM 1012 NE2 HIS A 692 12.455 6.071 6.093 1.00 0.00 N ATOM 0 H HIS A 692 12.938 1.549 1.969 1.00 0.00 H new ATOM 0 HA HIS A 692 14.129 2.476 4.323 1.00 0.00 H new ATOM 0 HB2 HIS A 692 13.232 3.867 2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 692 11.601 3.473 2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 692 11.492 4.094 6.027 1.00 0.00 H new ATOM 0 HE1 HIS A 692 13.653 7.645 5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 692 12.186 6.441 7.005 1.00 0.00 H new ATOM 1021 N LEU A 693 11.043 1.353 4.682 1.00 0.00 N ATOM 1022 CA LEU A 693 10.063 0.918 5.672 1.00 0.00 C ATOM 1023 C LEU A 693 10.686 -0.048 6.674 1.00 0.00 C ATOM 1024 O LEU A 693 10.435 0.044 7.876 1.00 0.00 O ATOM 1025 CB LEU A 693 8.887 0.234 4.972 1.00 0.00 C ATOM 1026 CG LEU A 693 8.203 1.226 4.031 1.00 0.00 C ATOM 1027 CD1 LEU A 693 7.025 0.542 3.335 1.00 0.00 C ATOM 1028 CD2 LEU A 693 7.689 2.418 4.840 1.00 0.00 C ATOM 0 H LEU A 693 10.763 1.201 3.713 1.00 0.00 H new ATOM 0 HA LEU A 693 9.713 1.798 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 693 9.238 -0.632 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 693 8.174 -0.133 5.711 1.00 0.00 H new ATOM 0 HG LEU A 693 8.918 1.570 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 693 6.538 1.250 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 693 7.387 -0.311 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 693 6.310 0.199 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 693 7.201 3.128 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 693 6.974 2.070 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 693 8.526 2.907 5.339 1.00 0.00 H new ATOM 1040 N ARG A 694 11.491 -0.978 6.175 1.00 0.00 N ATOM 1041 CA ARG A 694 12.131 -1.959 7.044 1.00 0.00 C ATOM 1042 C ARG A 694 13.117 -1.294 8.002 1.00 0.00 C ATOM 1043 O ARG A 694 13.273 -1.733 9.141 1.00 0.00 O ATOM 1044 CB ARG A 694 12.848 -3.016 6.202 1.00 0.00 C ATOM 1045 CG ARG A 694 11.807 -3.815 5.414 1.00 0.00 C ATOM 1046 CD ARG A 694 12.490 -4.961 4.667 1.00 0.00 C ATOM 1047 NE ARG A 694 11.535 -5.616 3.782 1.00 0.00 N ATOM 1048 CZ ARG A 694 11.411 -5.245 2.513 1.00 0.00 C ATOM 1049 NH1 ARG A 694 12.167 -4.297 2.033 1.00 0.00 N ATOM 1050 NH2 ARG A 694 10.532 -5.831 1.746 1.00 0.00 N ATOM 0 H ARG A 694 11.715 -1.074 5.185 1.00 0.00 H new ATOM 0 HA ARG A 694 11.355 -2.438 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 694 13.552 -2.540 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 694 13.426 -3.681 6.844 1.00 0.00 H new ATOM 0 HG2 ARG A 694 11.050 -4.210 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 694 11.293 -3.163 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 694 13.332 -4.579 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 694 12.893 -5.682 5.379 1.00 0.00 H new ATOM 0 HE ARG A 694 10.953 -6.371 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 694 12.854 -3.840 2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 694 12.071 -4.013 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 694 9.941 -6.573 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 694 10.436 -5.547 0.771 1.00 0.00 H new ATOM 1064 N GLU A 695 13.780 -0.237 7.541 1.00 0.00 N ATOM 1065 CA GLU A 695 14.744 0.466 8.383 1.00 0.00 C ATOM 1066 C GLU A 695 14.039 1.197 9.522 1.00 0.00 C ATOM 1067 O GLU A 695 14.558 1.279 10.635 1.00 0.00 O ATOM 1068 CB GLU A 695 15.534 1.476 7.548 1.00 0.00 C ATOM 1069 CG GLU A 695 16.404 0.735 6.532 1.00 0.00 C ATOM 1070 CD GLU A 695 17.245 1.734 5.745 1.00 0.00 C ATOM 1071 OE1 GLU A 695 16.999 2.922 5.880 1.00 0.00 O ATOM 1072 OE2 GLU A 695 18.123 1.298 5.020 1.00 0.00 O ATOM 0 H GLU A 695 13.670 0.148 6.603 1.00 0.00 H new ATOM 0 HA GLU A 695 15.425 -0.273 8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 695 14.850 2.150 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 695 16.158 2.090 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 695 17.052 0.024 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 695 15.775 0.160 5.852 1.00 0.00 H new ATOM 1079 N HIS A 696 12.860 1.736 9.233 1.00 0.00 N ATOM 1080 CA HIS A 696 12.097 2.470 10.239 1.00 0.00 C ATOM 1081 C HIS A 696 11.352 1.522 11.175 1.00 0.00 C ATOM 1082 O HIS A 696 11.440 1.646 12.397 1.00 0.00 O ATOM 1083 CB HIS A 696 11.093 3.396 9.551 1.00 0.00 C ATOM 1084 CG HIS A 696 11.702 4.760 9.371 1.00 0.00 C ATOM 1085 ND1 HIS A 696 11.104 5.907 9.870 1.00 0.00 N ATOM 1086 CD2 HIS A 696 12.852 5.178 8.748 1.00 0.00 C ATOM 1087 CE1 HIS A 696 11.888 6.949 9.542 1.00 0.00 C ATOM 1088 NE2 HIS A 696 12.968 6.561 8.857 1.00 0.00 N ATOM 0 H HIS A 696 12.413 1.680 8.318 1.00 0.00 H new ATOM 0 HA HIS A 696 12.800 3.055 10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 696 10.808 2.984 8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 696 10.183 3.469 10.147 1.00 0.00 H new ATOM 0 HD2 HIS A 696 13.559 4.532 8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 696 11.671 7.975 9.801 1.00 0.00 H new ATOM 0 HE2 HIS A 696 13.716 7.151 8.493 1.00 0.00 H new ATOM 1168 N PRO A 702 4.767 -5.051 11.937 1.00 0.00 N ATOM 1169 CA PRO A 702 4.697 -3.773 11.175 1.00 0.00 C ATOM 1170 C PRO A 702 3.364 -3.617 10.449 1.00 0.00 C ATOM 1171 O PRO A 702 2.632 -4.588 10.257 1.00 0.00 O ATOM 1172 CB PRO A 702 5.857 -3.862 10.175 1.00 0.00 C ATOM 1173 CG PRO A 702 6.236 -5.304 10.116 1.00 0.00 C ATOM 1174 CD PRO A 702 5.860 -5.907 11.465 1.00 0.00 C ATOM 0 HA PRO A 702 4.772 -2.906 11.831 1.00 0.00 H new ATOM 0 HB2 PRO A 702 5.555 -3.497 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 702 6.699 -3.250 10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 702 5.712 -5.810 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 702 7.303 -5.417 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 702 5.541 -6.944 11.365 1.00 0.00 H new ATOM 0 HD3 PRO A 702 6.703 -5.898 12.156 1.00 0.00 H new ATOM 1182 N PRO A 703 3.042 -2.418 10.045 1.00 0.00 N ATOM 1183 CA PRO A 703 1.774 -2.126 9.324 1.00 0.00 C ATOM 1184 C PRO A 703 1.551 -3.093 8.167 1.00 0.00 C ATOM 1185 O PRO A 703 2.501 -3.677 7.644 1.00 0.00 O ATOM 1186 CB PRO A 703 1.941 -0.686 8.813 1.00 0.00 C ATOM 1187 CG PRO A 703 3.345 -0.274 9.140 1.00 0.00 C ATOM 1188 CD PRO A 703 3.850 -1.214 10.231 1.00 0.00 C ATOM 0 HA PRO A 703 0.905 -2.239 9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 703 1.762 -0.633 7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 703 1.221 -0.020 9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 703 3.979 -0.335 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 703 3.372 0.761 9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 703 4.914 -1.423 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 703 3.712 -0.787 11.224 1.00 0.00 H new ATOM 1196 N LEU A 704 0.293 -3.270 7.780 1.00 0.00 N ATOM 1197 CA LEU A 704 -0.033 -4.183 6.693 1.00 0.00 C ATOM 1198 C LEU A 704 0.292 -3.551 5.342 1.00 0.00 C ATOM 1199 O LEU A 704 0.039 -2.366 5.125 1.00 0.00 O ATOM 1200 CB LEU A 704 -1.518 -4.548 6.748 1.00 0.00 C ATOM 1201 CG LEU A 704 -1.872 -5.037 8.153 1.00 0.00 C ATOM 1202 CD1 LEU A 704 -3.299 -5.586 8.157 1.00 0.00 C ATOM 1203 CD2 LEU A 704 -0.898 -6.141 8.566 1.00 0.00 C ATOM 0 H LEU A 704 -0.509 -2.799 8.198 1.00 0.00 H new ATOM 0 HA LEU A 704 0.567 -5.085 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 704 -2.126 -3.681 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 704 -1.740 -5.323 6.015 1.00 0.00 H new ATOM 0 HG LEU A 704 -1.801 -4.208 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 704 -3.552 -5.935 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 704 -3.992 -4.799 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 704 -3.371 -6.416 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 704 -1.148 -6.491 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -0.969 -6.971 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 704 0.119 -5.749 8.562 1.00 0.00 H new ATOM 1215 N VAL A 705 0.860 -4.348 4.439 1.00 0.00 N ATOM 1216 CA VAL A 705 1.220 -3.850 3.115 1.00 0.00 C ATOM 1217 C VAL A 705 0.519 -4.653 2.021 1.00 0.00 C ATOM 1218 O VAL A 705 0.519 -5.886 2.041 1.00 0.00 O ATOM 1219 CB VAL A 705 2.737 -3.936 2.923 1.00 0.00 C ATOM 1220 CG1 VAL A 705 3.128 -3.259 1.609 1.00 0.00 C ATOM 1221 CG2 VAL A 705 3.439 -3.232 4.086 1.00 0.00 C ATOM 0 H VAL A 705 1.079 -5.331 4.598 1.00 0.00 H new ATOM 0 HA VAL A 705 0.899 -2.811 3.041 1.00 0.00 H new ATOM 0 HB VAL A 705 3.038 -4.983 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 705 4.208 -3.322 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 705 2.630 -3.760 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 705 2.826 -2.212 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 705 4.519 -3.293 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 705 3.135 -2.186 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 705 3.164 -3.715 5.023 1.00 0.00 H new ATOM 1231 N LEU A 706 -0.073 -3.945 1.064 1.00 0.00 N ATOM 1232 CA LEU A 706 -0.770 -4.597 -0.039 1.00 0.00 C ATOM 1233 C LEU A 706 -0.018 -4.387 -1.349 1.00 0.00 C ATOM 1234 O LEU A 706 0.459 -3.287 -1.631 1.00 0.00 O ATOM 1235 CB LEU A 706 -2.187 -4.035 -0.170 1.00 0.00 C ATOM 1236 CG LEU A 706 -2.943 -4.246 1.142 1.00 0.00 C ATOM 1237 CD1 LEU A 706 -4.390 -3.775 0.981 1.00 0.00 C ATOM 1238 CD2 LEU A 706 -2.927 -5.733 1.501 1.00 0.00 C ATOM 0 H LEU A 706 -0.084 -2.926 1.030 1.00 0.00 H new ATOM 0 HA LEU A 706 -0.820 -5.665 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 706 -2.147 -2.973 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 706 -2.711 -4.529 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 706 -2.463 -3.673 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 706 -4.928 -3.926 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 706 -4.401 -2.716 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 706 -4.873 -4.347 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 706 -3.465 -5.887 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 706 -3.408 -6.304 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 706 -1.896 -6.068 1.616 1.00 0.00 H new ATOM 1250 N PHE A 707 0.081 -5.443 -2.148 1.00 0.00 N ATOM 1251 CA PHE A 707 0.772 -5.350 -3.428 1.00 0.00 C ATOM 1252 C PHE A 707 -0.194 -5.534 -4.592 1.00 0.00 C ATOM 1253 O PHE A 707 -0.853 -6.567 -4.708 1.00 0.00 O ATOM 1254 CB PHE A 707 1.874 -6.407 -3.510 1.00 0.00 C ATOM 1255 CG PHE A 707 3.097 -5.916 -2.776 1.00 0.00 C ATOM 1256 CD1 PHE A 707 3.252 -6.178 -1.410 1.00 0.00 C ATOM 1257 CD2 PHE A 707 4.078 -5.194 -3.467 1.00 0.00 C ATOM 1258 CE1 PHE A 707 4.391 -5.719 -0.736 1.00 0.00 C ATOM 1259 CE2 PHE A 707 5.215 -4.737 -2.795 1.00 0.00 C ATOM 1260 CZ PHE A 707 5.371 -4.998 -1.429 1.00 0.00 C ATOM 0 H PHE A 707 -0.304 -6.364 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 707 1.212 -4.355 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 707 1.527 -7.344 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.120 -6.612 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 707 2.495 -6.733 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 707 3.956 -4.990 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 707 4.513 -5.921 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 707 5.973 -4.183 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 707 6.248 -4.643 -0.909 1.00 0.00 H new ATOM 1270 N LEU A 708 -0.257 -4.531 -5.463 1.00 0.00 N ATOM 1271 CA LEU A 708 -1.130 -4.600 -6.629 1.00 0.00 C ATOM 1272 C LEU A 708 -0.325 -5.013 -7.856 1.00 0.00 C ATOM 1273 O LEU A 708 0.823 -4.599 -8.021 1.00 0.00 O ATOM 1274 CB LEU A 708 -1.797 -3.244 -6.879 1.00 0.00 C ATOM 1275 CG LEU A 708 -2.573 -2.816 -5.629 1.00 0.00 C ATOM 1276 CD1 LEU A 708 -1.605 -2.263 -4.580 1.00 0.00 C ATOM 1277 CD2 LEU A 708 -3.585 -1.733 -6.005 1.00 0.00 C ATOM 0 H LEU A 708 0.281 -3.668 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 708 -1.905 -5.342 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 708 -1.043 -2.496 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 708 -2.471 -3.311 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 708 -3.095 -3.680 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 708 -2.163 -1.960 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 708 -0.883 -3.033 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 708 -1.079 -1.401 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 708 -4.138 -1.427 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 708 -3.060 -0.872 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 708 -4.280 -2.126 -6.747 1.00 0.00 H new ATOM 1289 N GLY A 709 -0.926 -5.828 -8.714 1.00 0.00 N ATOM 1290 CA GLY A 709 -0.242 -6.283 -9.919 1.00 0.00 C ATOM 1291 C GLY A 709 0.215 -7.731 -9.776 1.00 0.00 C ATOM 1292 O GLY A 709 -0.544 -8.590 -9.328 1.00 0.00 O ATOM 0 H GLY A 709 -1.875 -6.184 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 709 -0.909 -6.192 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 709 0.619 -5.644 -10.116 1.00 0.00 H new ATOM 1296 N GLU A 710 1.458 -7.995 -10.167 1.00 0.00 N ATOM 1297 CA GLU A 710 2.007 -9.345 -10.087 1.00 0.00 C ATOM 1298 C GLU A 710 2.728 -9.558 -8.761 1.00 0.00 C ATOM 1299 O GLU A 710 3.161 -8.603 -8.115 1.00 0.00 O ATOM 1300 CB GLU A 710 2.985 -9.575 -11.241 1.00 0.00 C ATOM 1301 CG GLU A 710 2.240 -10.172 -12.436 1.00 0.00 C ATOM 1302 CD GLU A 710 2.990 -9.854 -13.725 1.00 0.00 C ATOM 1303 OE1 GLU A 710 4.017 -9.201 -13.643 1.00 0.00 O ATOM 1304 OE2 GLU A 710 2.527 -10.268 -14.775 1.00 0.00 O ATOM 0 H GLU A 710 2.101 -7.297 -10.540 1.00 0.00 H new ATOM 0 HA GLU A 710 1.183 -10.056 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 710 3.454 -8.633 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 710 3.784 -10.246 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 710 2.147 -11.251 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 710 1.229 -9.768 -12.484 1.00 0.00 H new ATOM 1311 N PRO A 711 2.865 -10.790 -8.351 1.00 0.00 N ATOM 1312 CA PRO A 711 3.553 -11.144 -7.077 1.00 0.00 C ATOM 1313 C PRO A 711 5.062 -10.917 -7.167 1.00 0.00 C ATOM 1314 O PRO A 711 5.665 -11.111 -8.222 1.00 0.00 O ATOM 1315 CB PRO A 711 3.233 -12.630 -6.889 1.00 0.00 C ATOM 1316 CG PRO A 711 2.935 -13.152 -8.255 1.00 0.00 C ATOM 1317 CD PRO A 711 2.374 -11.981 -9.061 1.00 0.00 C ATOM 0 HA PRO A 711 3.219 -10.528 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 711 4.075 -13.159 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 711 2.381 -12.766 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 711 3.836 -13.547 -8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 711 2.215 -13.969 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 711 2.725 -12.003 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 711 1.285 -12.005 -9.094 1.00 0.00 H new ATOM 1325 N PRO A 712 5.673 -10.506 -6.087 1.00 0.00 N ATOM 1326 CA PRO A 712 7.141 -10.242 -6.044 1.00 0.00 C ATOM 1327 C PRO A 712 7.963 -11.519 -6.191 1.00 0.00 C ATOM 1328 O PRO A 712 7.563 -12.583 -5.719 1.00 0.00 O ATOM 1329 CB PRO A 712 7.363 -9.608 -4.670 1.00 0.00 C ATOM 1330 CG PRO A 712 6.204 -10.039 -3.834 1.00 0.00 C ATOM 1331 CD PRO A 712 5.031 -10.254 -4.789 1.00 0.00 C ATOM 0 HA PRO A 712 7.460 -9.604 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 712 8.305 -9.939 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 712 7.410 -8.521 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 712 6.436 -10.957 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 712 5.962 -9.282 -3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 712 4.413 -11.096 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 712 4.382 -9.379 -4.828 1.00 0.00 H new ATOM 1339 N VAL A 713 9.115 -11.404 -6.843 1.00 0.00 N ATOM 1340 CA VAL A 713 9.984 -12.558 -7.038 1.00 0.00 C ATOM 1341 C VAL A 713 10.803 -12.822 -5.779 1.00 0.00 C ATOM 1342 O VAL A 713 11.003 -13.972 -5.385 1.00 0.00 O ATOM 1343 CB VAL A 713 10.921 -12.312 -8.220 1.00 0.00 C ATOM 1344 CG1 VAL A 713 11.807 -13.540 -8.432 1.00 0.00 C ATOM 1345 CG2 VAL A 713 10.091 -12.054 -9.480 1.00 0.00 C ATOM 0 H VAL A 713 9.466 -10.533 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 713 9.364 -13.430 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 713 11.549 -11.445 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 713 12.476 -13.365 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 713 12.396 -13.723 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 713 11.182 -14.408 -8.639 1.00 0.00 H new ATOM 0 HG21 VAL A 713 10.757 -11.878 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 713 9.464 -12.921 -9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 713 9.460 -11.178 -9.327 1.00 0.00 H new ATOM 1355 N ASP A 714 11.272 -11.748 -5.152 1.00 0.00 N ATOM 1356 CA ASP A 714 12.066 -11.870 -3.936 1.00 0.00 C ATOM 1357 C ASP A 714 11.179 -12.279 -2.760 1.00 0.00 C ATOM 1358 O ASP A 714 10.026 -11.857 -2.668 1.00 0.00 O ATOM 1359 CB ASP A 714 12.746 -10.536 -3.623 1.00 0.00 C ATOM 1360 CG ASP A 714 12.335 -9.488 -4.652 1.00 0.00 C ATOM 1361 OD1 ASP A 714 11.314 -8.852 -4.445 1.00 0.00 O ATOM 1362 OD2 ASP A 714 13.047 -9.336 -5.631 1.00 0.00 O ATOM 0 H ASP A 714 11.117 -10.789 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 714 12.825 -12.637 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 714 12.470 -10.203 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 714 13.829 -10.660 -3.630 1.00 0.00 H new ATOM 1367 N PRO A 715 11.693 -13.080 -1.862 1.00 0.00 N ATOM 1368 CA PRO A 715 10.932 -13.542 -0.666 1.00 0.00 C ATOM 1369 C PRO A 715 10.868 -12.476 0.428 1.00 0.00 C ATOM 1370 O PRO A 715 10.071 -12.579 1.360 1.00 0.00 O ATOM 1371 CB PRO A 715 11.732 -14.752 -0.190 1.00 0.00 C ATOM 1372 CG PRO A 715 13.137 -14.467 -0.600 1.00 0.00 C ATOM 1373 CD PRO A 715 13.055 -13.642 -1.887 1.00 0.00 C ATOM 0 HA PRO A 715 9.892 -13.767 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 715 11.653 -14.878 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 715 11.366 -15.672 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 715 13.665 -13.918 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 715 13.688 -15.393 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 715 13.811 -12.857 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 715 13.215 -14.261 -2.769 1.00 0.00 H new ATOM 1381 N LEU A 716 11.717 -11.460 0.311 1.00 0.00 N ATOM 1382 CA LEU A 716 11.752 -10.387 1.300 1.00 0.00 C ATOM 1383 C LEU A 716 10.504 -9.519 1.200 1.00 0.00 C ATOM 1384 O LEU A 716 10.021 -8.991 2.202 1.00 0.00 O ATOM 1385 CB LEU A 716 12.998 -9.527 1.087 1.00 0.00 C ATOM 1386 CG LEU A 716 14.240 -10.418 1.143 1.00 0.00 C ATOM 1387 CD1 LEU A 716 15.497 -9.558 1.001 1.00 0.00 C ATOM 1388 CD2 LEU A 716 14.277 -11.158 2.483 1.00 0.00 C ATOM 0 H LEU A 716 12.385 -11.357 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 716 11.784 -10.834 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 716 12.943 -9.019 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 716 13.056 -8.754 1.853 1.00 0.00 H new ATOM 0 HG LEU A 716 14.203 -11.141 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 716 16.380 -10.195 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 716 15.472 -9.032 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 716 15.535 -8.833 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 716 15.162 -11.793 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 716 14.312 -10.434 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 716 13.383 -11.774 2.583 1.00 0.00 H new ATOM 1400 N LEU A 717 9.980 -9.384 -0.012 1.00 0.00 N ATOM 1401 CA LEU A 717 8.781 -8.586 -0.224 1.00 0.00 C ATOM 1402 C LEU A 717 7.558 -9.365 0.240 1.00 0.00 C ATOM 1403 O LEU A 717 6.605 -8.793 0.769 1.00 0.00 O ATOM 1404 CB LEU A 717 8.631 -8.242 -1.709 1.00 0.00 C ATOM 1405 CG LEU A 717 9.663 -7.184 -2.118 1.00 0.00 C ATOM 1406 CD1 LEU A 717 9.145 -5.795 -1.741 1.00 0.00 C ATOM 1407 CD2 LEU A 717 10.992 -7.446 -1.404 1.00 0.00 C ATOM 0 H LEU A 717 10.362 -9.812 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 717 8.867 -7.663 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 717 8.763 -9.140 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 717 7.624 -7.872 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 717 9.821 -7.236 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 717 9.878 -5.042 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 717 8.205 -5.605 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 717 8.983 -5.747 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 717 11.719 -6.690 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 717 10.841 -7.401 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 717 11.363 -8.434 -1.677 1.00 0.00 H new ATOM 1419 N THR A 718 7.601 -10.679 0.048 1.00 0.00 N ATOM 1420 CA THR A 718 6.500 -11.535 0.461 1.00 0.00 C ATOM 1421 C THR A 718 6.331 -11.464 1.973 1.00 0.00 C ATOM 1422 O THR A 718 5.212 -11.392 2.482 1.00 0.00 O ATOM 1423 CB THR A 718 6.779 -12.979 0.043 1.00 0.00 C ATOM 1424 OG1 THR A 718 7.116 -13.014 -1.337 1.00 0.00 O ATOM 1425 CG2 THR A 718 5.533 -13.831 0.283 1.00 0.00 C ATOM 0 H THR A 718 8.382 -11.170 -0.388 1.00 0.00 H new ATOM 0 HA THR A 718 5.584 -11.193 -0.020 1.00 0.00 H new ATOM 0 HB THR A 718 7.607 -13.374 0.632 1.00 0.00 H new ATOM 0 HG1 THR A 718 7.297 -13.939 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 718 5.733 -14.860 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 718 5.272 -13.804 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 718 4.704 -13.437 -0.305 1.00 0.00 H new ATOM 1433 N ALA A 719 7.456 -11.476 2.686 1.00 0.00 N ATOM 1434 CA ALA A 719 7.425 -11.402 4.141 1.00 0.00 C ATOM 1435 C ALA A 719 6.877 -10.052 4.583 1.00 0.00 C ATOM 1436 O ALA A 719 6.110 -9.962 5.542 1.00 0.00 O ATOM 1437 CB ALA A 719 8.834 -11.595 4.708 1.00 0.00 C ATOM 0 H ALA A 719 8.391 -11.536 2.282 1.00 0.00 H new ATOM 0 HA ALA A 719 6.777 -12.193 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 719 8.799 -11.538 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 719 9.217 -12.571 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 719 9.491 -10.814 4.324 1.00 0.00 H new ATOM 1443 N GLN A 720 7.278 -9.002 3.873 1.00 0.00 N ATOM 1444 CA GLN A 720 6.823 -7.655 4.194 1.00 0.00 C ATOM 1445 C GLN A 720 5.387 -7.448 3.724 1.00 0.00 C ATOM 1446 O GLN A 720 4.641 -6.657 4.302 1.00 0.00 O ATOM 1447 CB GLN A 720 7.733 -6.624 3.525 1.00 0.00 C ATOM 1448 CG GLN A 720 7.401 -5.227 4.056 1.00 0.00 C ATOM 1449 CD GLN A 720 7.942 -5.065 5.473 1.00 0.00 C ATOM 1450 OE1 GLN A 720 9.103 -5.383 5.734 1.00 0.00 O ATOM 1451 NE2 GLN A 720 7.169 -4.584 6.408 1.00 0.00 N ATOM 0 H GLN A 720 7.913 -9.058 3.077 1.00 0.00 H new ATOM 0 HA GLN A 720 6.861 -7.527 5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 720 8.778 -6.862 3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 720 7.601 -6.654 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 720 7.834 -4.469 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 720 6.322 -5.074 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 720 6.208 -4.321 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 720 7.526 -4.471 7.357 1.00 0.00 H new ATOM 1460 N ALA A 721 5.010 -8.160 2.665 1.00 0.00 N ATOM 1461 CA ALA A 721 3.664 -8.046 2.115 1.00 0.00 C ATOM 1462 C ALA A 721 2.646 -8.734 3.018 1.00 0.00 C ATOM 1463 O ALA A 721 2.794 -9.908 3.356 1.00 0.00 O ATOM 1464 CB ALA A 721 3.617 -8.682 0.725 1.00 0.00 C ATOM 0 H ALA A 721 5.615 -8.818 2.174 1.00 0.00 H new ATOM 0 HA ALA A 721 3.413 -6.988 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 721 2.609 -8.594 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 721 4.320 -8.171 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 721 3.889 -9.735 0.797 1.00 0.00 H new ATOM 1470 N SER A 722 1.609 -7.996 3.397 1.00 0.00 N ATOM 1471 CA SER A 722 0.564 -8.545 4.254 1.00 0.00 C ATOM 1472 C SER A 722 -0.506 -9.246 3.424 1.00 0.00 C ATOM 1473 O SER A 722 -1.211 -10.126 3.919 1.00 0.00 O ATOM 1474 CB SER A 722 -0.077 -7.427 5.070 1.00 0.00 C ATOM 1475 OG SER A 722 -0.809 -6.575 4.199 1.00 0.00 O ATOM 0 H SER A 722 1.469 -7.022 3.127 1.00 0.00 H new ATOM 0 HA SER A 722 1.019 -9.274 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 722 -0.738 -7.847 5.828 1.00 0.00 H new ATOM 0 HB3 SER A 722 0.690 -6.858 5.595 1.00 0.00 H new ATOM 0 HG SER A 722 -0.370 -6.547 3.323 1.00 0.00 H new ATOM 1481 N ALA A 723 -0.623 -8.849 2.161 1.00 0.00 N ATOM 1482 CA ALA A 723 -1.614 -9.446 1.272 1.00 0.00 C ATOM 1483 C ALA A 723 -1.389 -8.981 -0.163 1.00 0.00 C ATOM 1484 O ALA A 723 -1.315 -7.782 -0.433 1.00 0.00 O ATOM 1485 CB ALA A 723 -3.023 -9.057 1.722 1.00 0.00 C ATOM 0 H ALA A 723 -0.049 -8.123 1.732 1.00 0.00 H new ATOM 0 HA ALA A 723 -1.508 -10.530 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -3.756 -9.507 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -3.192 -9.414 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -3.127 -7.972 1.697 1.00 0.00 H new ATOM 1491 N ILE A 724 -1.277 -9.938 -1.078 1.00 0.00 N ATOM 1492 CA ILE A 724 -1.055 -9.617 -2.484 1.00 0.00 C ATOM 1493 C ILE A 724 -2.385 -9.464 -3.217 1.00 0.00 C ATOM 1494 O ILE A 724 -3.268 -10.314 -3.103 1.00 0.00 O ATOM 1495 CB ILE A 724 -0.231 -10.726 -3.140 1.00 0.00 C ATOM 1496 CG1 ILE A 724 1.034 -10.968 -2.312 1.00 0.00 C ATOM 1497 CG2 ILE A 724 0.162 -10.300 -4.559 1.00 0.00 C ATOM 1498 CD1 ILE A 724 1.772 -12.194 -2.850 1.00 0.00 C ATOM 0 H ILE A 724 -1.336 -10.936 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 724 -0.513 -8.673 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 724 -0.820 -11.642 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 724 1.682 -10.093 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 724 0.772 -11.119 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 724 0.749 -11.090 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 724 -0.738 -10.120 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 724 0.754 -9.386 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 724 2.672 -12.365 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 724 1.123 -13.067 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 724 2.048 -12.025 -3.891 1.00 0.00 H new ATOM 1510 N LEU A 725 -2.523 -8.375 -3.965 1.00 0.00 N ATOM 1511 CA LEU A 725 -3.751 -8.121 -4.711 1.00 0.00 C ATOM 1512 C LEU A 725 -3.532 -8.329 -6.208 1.00 0.00 C ATOM 1513 O LEU A 725 -2.411 -8.225 -6.703 1.00 0.00 O ATOM 1514 CB LEU A 725 -4.236 -6.694 -4.457 1.00 0.00 C ATOM 1515 CG LEU A 725 -4.330 -6.450 -2.951 1.00 0.00 C ATOM 1516 CD1 LEU A 725 -5.084 -5.146 -2.692 1.00 0.00 C ATOM 1517 CD2 LEU A 725 -5.075 -7.611 -2.286 1.00 0.00 C ATOM 0 H LEU A 725 -1.805 -7.658 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 725 -4.507 -8.827 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -3.550 -5.979 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 725 -5.209 -6.541 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 725 -3.326 -6.379 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -5.151 -4.972 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -4.552 -4.319 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -6.088 -5.216 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -5.140 -7.434 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -6.079 -7.686 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -4.536 -8.541 -2.468 1.00 0.00 H new ATOM 1529 N SER A 726 -4.616 -8.620 -6.921 1.00 0.00 N ATOM 1530 CA SER A 726 -4.542 -8.839 -8.361 1.00 0.00 C ATOM 1531 C SER A 726 -5.943 -8.820 -8.962 1.00 0.00 C ATOM 1532 O SER A 726 -6.401 -9.808 -9.537 1.00 0.00 O ATOM 1533 CB SER A 726 -3.874 -10.182 -8.654 1.00 0.00 C ATOM 1534 OG SER A 726 -4.266 -11.125 -7.665 1.00 0.00 O ATOM 0 H SER A 726 -5.552 -8.709 -6.527 1.00 0.00 H new ATOM 0 HA SER A 726 -3.949 -8.041 -8.808 1.00 0.00 H new ATOM 0 HB2 SER A 726 -4.160 -10.536 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 726 -2.790 -10.069 -8.657 1.00 0.00 H new ATOM 0 HG SER A 726 -3.841 -11.989 -7.850 1.00 0.00 H new ATOM 1540 N LYS A 727 -6.618 -7.684 -8.812 1.00 0.00 N ATOM 1541 CA LYS A 727 -7.972 -7.531 -9.329 1.00 0.00 C ATOM 1542 C LYS A 727 -8.888 -8.595 -8.736 1.00 0.00 C ATOM 1543 O LYS A 727 -9.445 -9.422 -9.459 1.00 0.00 O ATOM 1544 CB LYS A 727 -7.969 -7.644 -10.855 1.00 0.00 C ATOM 1545 CG LYS A 727 -9.238 -7.001 -11.420 1.00 0.00 C ATOM 1546 CD LYS A 727 -9.029 -6.672 -12.899 1.00 0.00 C ATOM 1547 CE LYS A 727 -10.290 -6.012 -13.460 1.00 0.00 C ATOM 1548 NZ LYS A 727 -9.906 -4.855 -14.317 1.00 0.00 N ATOM 0 H LYS A 727 -6.250 -6.859 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 727 -8.343 -6.546 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 727 -7.087 -7.152 -11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 727 -7.917 -8.691 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 727 -10.084 -7.678 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 727 -9.477 -6.094 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 727 -8.174 -6.006 -13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 727 -8.803 -7.581 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 727 -10.863 -6.734 -14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 727 -10.932 -5.677 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 727 -10.763 -4.406 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 727 -9.376 -4.163 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 727 -9.310 -5.187 -15.102 1.00 0.00 H new ATOM 1562 N PRO A 728 -9.051 -8.589 -7.440 1.00 0.00 N ATOM 1563 CA PRO A 728 -9.912 -9.567 -6.733 1.00 0.00 C ATOM 1564 C PRO A 728 -11.370 -9.119 -6.677 1.00 0.00 C ATOM 1565 O PRO A 728 -11.660 -7.927 -6.568 1.00 0.00 O ATOM 1566 CB PRO A 728 -9.299 -9.620 -5.335 1.00 0.00 C ATOM 1567 CG PRO A 728 -8.656 -8.282 -5.120 1.00 0.00 C ATOM 1568 CD PRO A 728 -8.426 -7.649 -6.500 1.00 0.00 C ATOM 0 HA PRO A 728 -9.940 -10.535 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 728 -10.062 -9.813 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 728 -8.566 -10.423 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 728 -9.294 -7.645 -4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 728 -7.711 -8.392 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 728 -8.881 -6.660 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 728 -7.363 -7.525 -6.709 1.00 0.00 H new ATOM 1576 N LEU A 729 -12.283 -10.082 -6.750 1.00 0.00 N ATOM 1577 CA LEU A 729 -13.709 -9.776 -6.703 1.00 0.00 C ATOM 1578 C LEU A 729 -14.095 -9.240 -5.330 1.00 0.00 C ATOM 1579 O LEU A 729 -13.470 -9.576 -4.324 1.00 0.00 O ATOM 1580 CB LEU A 729 -14.525 -11.033 -7.004 1.00 0.00 C ATOM 1581 CG LEU A 729 -14.019 -11.672 -8.298 1.00 0.00 C ATOM 1582 CD1 LEU A 729 -13.283 -12.973 -7.973 1.00 0.00 C ATOM 1583 CD2 LEU A 729 -15.205 -11.974 -9.215 1.00 0.00 C ATOM 0 H LEU A 729 -12.064 -11.074 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 729 -13.921 -9.015 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -14.440 -11.741 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -15.581 -10.780 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 729 -13.337 -10.985 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -12.923 -13.428 -8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -12.437 -12.759 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -13.964 -13.661 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -14.845 -12.429 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -15.887 -12.661 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -15.730 -11.047 -9.449 1.00 0.00 H new ATOM 1595 N ASP A 730 -15.130 -8.411 -5.295 1.00 0.00 N ATOM 1596 CA ASP A 730 -15.601 -7.836 -4.039 1.00 0.00 C ATOM 1597 C ASP A 730 -14.447 -7.204 -3.262 1.00 0.00 C ATOM 1598 O ASP A 730 -13.766 -7.877 -2.489 1.00 0.00 O ATOM 1599 CB ASP A 730 -16.269 -8.910 -3.171 1.00 0.00 C ATOM 1600 CG ASP A 730 -15.782 -10.301 -3.566 1.00 0.00 C ATOM 1601 OD1 ASP A 730 -16.239 -10.800 -4.581 1.00 0.00 O ATOM 1602 OD2 ASP A 730 -14.962 -10.847 -2.846 1.00 0.00 O ATOM 0 H ASP A 730 -15.659 -8.122 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 730 -16.330 -7.063 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -16.046 -8.726 -2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -17.352 -8.853 -3.282 1.00 0.00 H new ATOM 1607 N PRO A 731 -14.231 -5.928 -3.441 1.00 0.00 N ATOM 1608 CA PRO A 731 -13.149 -5.182 -2.731 1.00 0.00 C ATOM 1609 C PRO A 731 -13.242 -5.354 -1.213 1.00 0.00 C ATOM 1610 O PRO A 731 -12.543 -4.679 -0.455 1.00 0.00 O ATOM 1611 CB PRO A 731 -13.375 -3.722 -3.133 1.00 0.00 C ATOM 1612 CG PRO A 731 -14.163 -3.771 -4.400 1.00 0.00 C ATOM 1613 CD PRO A 731 -14.991 -5.053 -4.348 1.00 0.00 C ATOM 0 HA PRO A 731 -12.157 -5.545 -3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 731 -13.915 -3.181 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 731 -12.427 -3.205 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 731 -14.808 -2.897 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 731 -13.503 -3.771 -5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 731 -15.996 -4.864 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 731 -15.099 -5.499 -5.337 1.00 0.00 H new ATOM 1621 N GLN A 732 -14.119 -6.254 -0.781 1.00 0.00 N ATOM 1622 CA GLN A 732 -14.313 -6.502 0.641 1.00 0.00 C ATOM 1623 C GLN A 732 -13.078 -7.156 1.246 1.00 0.00 C ATOM 1624 O GLN A 732 -12.825 -7.025 2.443 1.00 0.00 O ATOM 1625 CB GLN A 732 -15.522 -7.415 0.847 1.00 0.00 C ATOM 1626 CG GLN A 732 -16.789 -6.695 0.381 1.00 0.00 C ATOM 1627 CD GLN A 732 -17.992 -7.620 0.520 1.00 0.00 C ATOM 1628 OE1 GLN A 732 -17.851 -8.840 0.438 1.00 0.00 O ATOM 1629 NE2 GLN A 732 -19.175 -7.110 0.732 1.00 0.00 N ATOM 0 H GLN A 732 -14.704 -6.822 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 732 -14.484 -5.547 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 732 -15.391 -8.342 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 732 -15.611 -7.687 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 732 -16.943 -5.792 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 732 -16.679 -6.381 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 732 -19.290 -6.099 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 732 -19.984 -7.723 0.830 1.00 0.00 H new ATOM 1638 N LEU A 733 -12.307 -7.855 0.421 1.00 0.00 N ATOM 1639 CA LEU A 733 -11.104 -8.507 0.917 1.00 0.00 C ATOM 1640 C LEU A 733 -10.107 -7.454 1.384 1.00 0.00 C ATOM 1641 O LEU A 733 -9.554 -7.554 2.480 1.00 0.00 O ATOM 1642 CB LEU A 733 -10.476 -9.362 -0.185 1.00 0.00 C ATOM 1643 CG LEU A 733 -9.279 -10.129 0.380 1.00 0.00 C ATOM 1644 CD1 LEU A 733 -9.775 -11.236 1.311 1.00 0.00 C ATOM 1645 CD2 LEU A 733 -8.486 -10.749 -0.772 1.00 0.00 C ATOM 0 H LEU A 733 -12.489 -7.983 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 733 -11.369 -9.151 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -11.213 -10.060 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -10.157 -8.729 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 733 -8.639 -9.446 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -8.922 -11.782 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -10.343 -10.795 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -10.414 -11.921 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -7.632 -11.296 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -9.127 -11.432 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -8.133 -9.960 -1.437 1.00 0.00 H new ATOM 1657 N LEU A 734 -9.902 -6.428 0.562 1.00 0.00 N ATOM 1658 CA LEU A 734 -8.991 -5.351 0.928 1.00 0.00 C ATOM 1659 C LEU A 734 -9.457 -4.712 2.232 1.00 0.00 C ATOM 1660 O LEU A 734 -8.661 -4.465 3.143 1.00 0.00 O ATOM 1661 CB LEU A 734 -8.946 -4.302 -0.186 1.00 0.00 C ATOM 1662 CG LEU A 734 -7.863 -3.262 0.125 1.00 0.00 C ATOM 1663 CD1 LEU A 734 -7.286 -2.707 -1.181 1.00 0.00 C ATOM 1664 CD2 LEU A 734 -8.474 -2.111 0.926 1.00 0.00 C ATOM 0 H LEU A 734 -10.348 -6.321 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 734 -7.989 -5.757 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 734 -8.738 -4.782 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 734 -9.916 -3.814 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 734 -7.070 -3.737 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 734 -6.517 -1.969 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 734 -6.849 -3.520 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 734 -8.081 -2.237 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 734 -7.704 -1.372 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 734 -9.268 -1.644 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 734 -8.886 -2.495 1.859 1.00 0.00 H new ATOM 1676 N LEU A 735 -10.762 -4.464 2.318 1.00 0.00 N ATOM 1677 CA LEU A 735 -11.337 -3.871 3.517 1.00 0.00 C ATOM 1678 C LEU A 735 -11.110 -4.797 4.703 1.00 0.00 C ATOM 1679 O LEU A 735 -10.804 -4.350 5.809 1.00 0.00 O ATOM 1680 CB LEU A 735 -12.838 -3.639 3.316 1.00 0.00 C ATOM 1681 CG LEU A 735 -13.395 -2.813 4.479 1.00 0.00 C ATOM 1682 CD1 LEU A 735 -14.601 -2.006 3.998 1.00 0.00 C ATOM 1683 CD2 LEU A 735 -13.830 -3.744 5.616 1.00 0.00 C ATOM 0 H LEU A 735 -11.434 -4.663 1.577 1.00 0.00 H new ATOM 0 HA LEU A 735 -10.854 -2.913 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 735 -13.012 -3.120 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 735 -13.358 -4.595 3.255 1.00 0.00 H new ATOM 0 HG LEU A 735 -12.621 -2.137 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 735 -14.998 -1.418 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 735 -14.294 -1.339 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 735 -15.371 -2.685 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 735 -14.225 -3.151 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 735 -14.602 -4.423 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 735 -12.972 -4.321 5.962 1.00 0.00 H new ATOM 1695 N THR A 736 -11.251 -6.094 4.454 1.00 0.00 N ATOM 1696 CA THR A 736 -11.049 -7.091 5.495 1.00 0.00 C ATOM 1697 C THR A 736 -9.625 -7.004 6.035 1.00 0.00 C ATOM 1698 O THR A 736 -9.390 -7.190 7.229 1.00 0.00 O ATOM 1699 CB THR A 736 -11.302 -8.493 4.932 1.00 0.00 C ATOM 1700 OG1 THR A 736 -12.580 -8.532 4.313 1.00 0.00 O ATOM 1701 CG2 THR A 736 -11.252 -9.518 6.066 1.00 0.00 C ATOM 0 H THR A 736 -11.504 -6.477 3.543 1.00 0.00 H new ATOM 0 HA THR A 736 -11.750 -6.898 6.307 1.00 0.00 H new ATOM 0 HB THR A 736 -10.534 -8.731 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 736 -12.514 -8.175 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 736 -11.432 -10.515 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 736 -10.270 -9.490 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 736 -12.018 -9.281 6.805 1.00 0.00 H new ATOM 1709 N THR A 737 -8.678 -6.725 5.142 1.00 0.00 N ATOM 1710 CA THR A 737 -7.279 -6.620 5.535 1.00 0.00 C ATOM 1711 C THR A 737 -7.092 -5.508 6.562 1.00 0.00 C ATOM 1712 O THR A 737 -6.427 -5.702 7.579 1.00 0.00 O ATOM 1713 CB THR A 737 -6.414 -6.335 4.306 1.00 0.00 C ATOM 1714 OG1 THR A 737 -6.655 -7.329 3.320 1.00 0.00 O ATOM 1715 CG2 THR A 737 -4.938 -6.354 4.704 1.00 0.00 C ATOM 0 H THR A 737 -8.854 -6.569 4.149 1.00 0.00 H new ATOM 0 HA THR A 737 -6.974 -7.566 5.983 1.00 0.00 H new ATOM 0 HB THR A 737 -6.665 -5.354 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 737 -7.571 -7.241 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 737 -4.322 -6.151 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 737 -4.755 -5.591 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 737 -4.683 -7.334 5.108 1.00 0.00 H new ATOM 1723 N LEU A 738 -7.686 -4.345 6.300 1.00 0.00 N ATOM 1724 CA LEU A 738 -7.571 -3.226 7.233 1.00 0.00 C ATOM 1725 C LEU A 738 -8.263 -3.560 8.550 1.00 0.00 C ATOM 1726 O LEU A 738 -7.768 -3.227 9.627 1.00 0.00 O ATOM 1727 CB LEU A 738 -8.196 -1.963 6.635 1.00 0.00 C ATOM 1728 CG LEU A 738 -7.299 -1.424 5.519 1.00 0.00 C ATOM 1729 CD1 LEU A 738 -7.577 -2.187 4.222 1.00 0.00 C ATOM 1730 CD2 LEU A 738 -7.592 0.064 5.310 1.00 0.00 C ATOM 0 H LEU A 738 -8.242 -4.154 5.466 1.00 0.00 H new ATOM 0 HA LEU A 738 -6.512 -3.046 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 738 -9.188 -2.187 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 738 -8.324 -1.207 7.410 1.00 0.00 H new ATOM 0 HG LEU A 738 -6.253 -1.556 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 738 -6.937 -1.801 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 738 -7.371 -3.247 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 738 -8.622 -2.057 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 738 -6.955 0.452 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 738 -8.638 0.193 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 738 -7.392 0.607 6.233 1.00 0.00 H new ATOM 1742 N GLN A 739 -9.411 -4.226 8.451 1.00 0.00 N ATOM 1743 CA GLN A 739 -10.171 -4.612 9.634 1.00 0.00 C ATOM 1744 C GLN A 739 -9.372 -5.595 10.480 1.00 0.00 C ATOM 1745 O GLN A 739 -9.545 -5.668 11.696 1.00 0.00 O ATOM 1746 CB GLN A 739 -11.497 -5.252 9.220 1.00 0.00 C ATOM 1747 CG GLN A 739 -12.410 -5.361 10.441 1.00 0.00 C ATOM 1748 CD GLN A 739 -13.067 -4.014 10.720 1.00 0.00 C ATOM 1749 OE1 GLN A 739 -12.915 -3.460 11.809 1.00 0.00 O ATOM 1750 NE2 GLN A 739 -13.795 -3.450 9.794 1.00 0.00 N ATOM 0 H GLN A 739 -9.833 -4.508 7.566 1.00 0.00 H new ATOM 0 HA GLN A 739 -10.371 -3.717 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 739 -11.977 -4.653 8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 739 -11.320 -6.240 8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 739 -13.174 -6.119 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 739 -11.834 -5.681 11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 739 -13.920 -3.910 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 739 -14.239 -2.549 9.972 1.00 0.00 H new ATOM 1759 N GLY A 740 -8.501 -6.353 9.824 1.00 0.00 N ATOM 1760 CA GLY A 740 -7.678 -7.339 10.517 1.00 0.00 C ATOM 1761 C GLY A 740 -6.966 -6.727 11.720 1.00 0.00 C ATOM 1762 O GLY A 740 -6.191 -7.401 12.397 1.00 0.00 O ATOM 0 H GLY A 740 -8.346 -6.305 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 740 -8.303 -8.169 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 740 -6.941 -7.749 9.827 1.00 0.00 H new ATOM 1766 N LEU A 741 -7.234 -5.452 11.989 1.00 0.00 N ATOM 1767 CA LEU A 741 -6.610 -4.778 13.121 1.00 0.00 C ATOM 1768 C LEU A 741 -7.257 -5.240 14.422 1.00 0.00 C ATOM 1769 O LEU A 741 -6.584 -5.402 15.441 1.00 0.00 O ATOM 1770 CB LEU A 741 -6.765 -3.262 12.980 1.00 0.00 C ATOM 1771 CG LEU A 741 -5.940 -2.557 14.060 1.00 0.00 C ATOM 1772 CD1 LEU A 741 -4.452 -2.632 13.704 1.00 0.00 C ATOM 1773 CD2 LEU A 741 -6.369 -1.090 14.149 1.00 0.00 C ATOM 0 H LEU A 741 -7.872 -4.871 11.445 1.00 0.00 H new ATOM 0 HA LEU A 741 -5.549 -5.028 13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.436 -2.943 11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.815 -2.984 13.071 1.00 0.00 H new ATOM 0 HG LEU A 741 -6.106 -3.047 15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -3.868 -2.129 14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.146 -3.676 13.639 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.282 -2.144 12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.783 -0.586 14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.203 -0.603 13.188 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.427 -1.035 14.405 1.00 0.00 H new