USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=15 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 HE2:sc= -6.89! C(o=-13!,f=-24!) USER MOD Set 1.2: A 696 HIS : no HE2:sc= -5.79! C(o=-13!,f=-20!) USER MOD Single : A 629 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 641 THR OG1 : rot 80:sc= 0.372! USER MOD Single : A 644 CYS SG : rot -73:sc= -6.13! USER MOD Single : A 646 MET CE :methyl 180:sc= -0.156 (180deg=-0.156) USER MOD Single : A 648 THR OG1 : rot 56:sc= 0.111 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 662 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 GLN : amide:sc= -1.09! K(o=-1.1!,f=0) USER MOD Single : A 671 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 677 MET CE :methyl 151:sc= -1.41 (180deg=-3.42!) USER MOD Single : A 684 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.8!) USER MOD Single : A 685 SER OG : rot -130:sc= 0.103 USER MOD Single : A 686 CYS SG : rot -30:sc= -12.3! USER MOD Single : A 691 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.64) USER MOD Single : A 718 THR OG1 : rot 75:sc= 0.0989 USER MOD Single : A 720 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 722 SER OG : rot -100:sc= -1.87 USER MOD Single : A 726 SER OG : rot -66:sc= 0.185! 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=-1.3) USER MOD Single : A 736 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 737 THR OG1 : rot 180:sc= 0 USER MOD Single : A 739 GLN : amide:sc= -1.09! K(o=-1.1!,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLY A 628 -6.659 7.035 9.896 1.00 0.00 N ATOM 14 CA GLY A 628 -5.595 6.197 9.361 1.00 0.00 C ATOM 15 C GLY A 628 -5.458 6.396 7.857 1.00 0.00 C ATOM 16 O GLY A 628 -6.389 6.129 7.097 1.00 0.00 O ATOM 0 HA2 GLY A 628 -4.653 6.439 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 628 -5.807 5.150 9.577 1.00 0.00 H new ATOM 20 N HIS A 629 -4.291 6.867 7.435 1.00 0.00 N ATOM 21 CA HIS A 629 -4.039 7.100 6.020 1.00 0.00 C ATOM 22 C HIS A 629 -3.436 5.867 5.362 1.00 0.00 C ATOM 23 O HIS A 629 -2.703 5.105 5.992 1.00 0.00 O ATOM 24 CB HIS A 629 -3.083 8.281 5.840 1.00 0.00 C ATOM 25 CG HIS A 629 -3.822 9.569 6.068 1.00 0.00 C ATOM 26 ND1 HIS A 629 -3.831 10.209 7.296 1.00 0.00 N ATOM 27 CD2 HIS A 629 -4.579 10.352 5.231 1.00 0.00 C ATOM 28 CE1 HIS A 629 -4.570 11.325 7.166 1.00 0.00 C ATOM 29 NE2 HIS A 629 -5.049 11.461 5.927 1.00 0.00 N ATOM 0 H HIS A 629 -3.509 7.094 8.049 1.00 0.00 H new ATOM 0 HA HIS A 629 -4.994 7.323 5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 629 -2.252 8.199 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 629 -2.657 8.267 4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 629 -4.779 10.139 4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 629 -4.754 12.026 7.967 1.00 0.00 H new ATOM 0 HE2 HIS A 629 -5.634 12.216 5.568 1.00 0.00 H new ATOM 38 N ILE A 630 -3.740 5.692 4.082 1.00 0.00 N ATOM 39 CA ILE A 630 -3.216 4.567 3.324 1.00 0.00 C ATOM 40 C ILE A 630 -2.243 5.082 2.271 1.00 0.00 C ATOM 41 O ILE A 630 -2.525 6.067 1.589 1.00 0.00 O ATOM 42 CB ILE A 630 -4.358 3.817 2.638 1.00 0.00 C ATOM 43 CG1 ILE A 630 -5.454 3.496 3.656 1.00 0.00 C ATOM 44 CG2 ILE A 630 -3.824 2.513 2.046 1.00 0.00 C ATOM 45 CD1 ILE A 630 -4.835 2.846 4.895 1.00 0.00 C ATOM 0 H ILE A 630 -4.346 6.315 3.549 1.00 0.00 H new ATOM 0 HA ILE A 630 -2.702 3.886 4.002 1.00 0.00 H new ATOM 0 HB ILE A 630 -4.772 4.441 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 630 -5.981 4.408 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 630 -6.191 2.826 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 630 -4.636 1.976 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 630 -3.045 2.736 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 630 -3.409 1.895 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 630 -5.619 2.619 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 630 -4.329 1.924 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 630 -4.115 3.531 5.344 1.00 0.00 H new ATOM 57 N LEU A 631 -1.095 4.430 2.140 1.00 0.00 N ATOM 58 CA LEU A 631 -0.109 4.874 1.159 1.00 0.00 C ATOM 59 C LEU A 631 -0.060 3.905 -0.014 1.00 0.00 C ATOM 60 O LEU A 631 0.142 2.703 0.164 1.00 0.00 O ATOM 61 CB LEU A 631 1.273 4.973 1.814 1.00 0.00 C ATOM 62 CG LEU A 631 2.186 5.899 0.998 1.00 0.00 C ATOM 63 CD1 LEU A 631 2.394 5.331 -0.407 1.00 0.00 C ATOM 64 CD2 LEU A 631 1.552 7.289 0.894 1.00 0.00 C ATOM 0 H LEU A 631 -0.826 3.611 2.685 1.00 0.00 H new ATOM 0 HA LEU A 631 -0.399 5.858 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 631 1.174 5.353 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 631 1.720 3.982 1.886 1.00 0.00 H new ATOM 0 HG LEU A 631 3.150 5.973 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 631 3.043 5.997 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 631 2.856 4.346 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 631 1.431 5.245 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 631 2.203 7.943 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 631 0.583 7.211 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 631 1.418 7.703 1.893 1.00 0.00 H new ATOM 76 N LEU A 632 -0.255 4.440 -1.214 1.00 0.00 N ATOM 77 CA LEU A 632 -0.241 3.620 -2.418 1.00 0.00 C ATOM 78 C LEU A 632 0.650 4.245 -3.483 1.00 0.00 C ATOM 79 O LEU A 632 0.488 5.415 -3.835 1.00 0.00 O ATOM 80 CB LEU A 632 -1.665 3.480 -2.959 1.00 0.00 C ATOM 81 CG LEU A 632 -1.687 2.473 -4.108 1.00 0.00 C ATOM 82 CD1 LEU A 632 -3.011 1.707 -4.086 1.00 0.00 C ATOM 83 CD2 LEU A 632 -1.557 3.215 -5.440 1.00 0.00 C ATOM 0 H LEU A 632 -0.424 5.432 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 632 0.155 2.637 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 632 -2.335 3.153 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 632 -2.029 4.448 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 632 -0.857 1.776 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 632 -3.029 0.988 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 632 -3.110 1.179 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 632 -3.838 2.407 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 632 -1.573 2.497 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 632 -2.388 3.911 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 632 -0.617 3.767 -5.459 1.00 0.00 H new ATOM 95 N LEU A 633 1.588 3.460 -4.001 1.00 0.00 N ATOM 96 CA LEU A 633 2.488 3.955 -5.032 1.00 0.00 C ATOM 97 C LEU A 633 2.163 3.302 -6.369 1.00 0.00 C ATOM 98 O LEU A 633 2.288 2.087 -6.523 1.00 0.00 O ATOM 99 CB LEU A 633 3.934 3.644 -4.651 1.00 0.00 C ATOM 100 CG LEU A 633 4.881 4.503 -5.497 1.00 0.00 C ATOM 101 CD1 LEU A 633 6.233 4.628 -4.789 1.00 0.00 C ATOM 102 CD2 LEU A 633 5.081 3.862 -6.877 1.00 0.00 C ATOM 0 H LEU A 633 1.743 2.490 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 633 2.360 5.034 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 633 4.093 3.844 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 633 4.144 2.586 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 633 4.444 5.493 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 633 6.904 5.239 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 633 6.092 5.097 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 633 6.666 3.637 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 633 5.755 4.479 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 633 5.511 2.867 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 633 4.120 3.783 -7.384 1.00 0.00 H new ATOM 114 N GLU A 634 1.742 4.112 -7.331 1.00 0.00 N ATOM 115 CA GLU A 634 1.400 3.592 -8.647 1.00 0.00 C ATOM 116 C GLU A 634 1.428 4.705 -9.687 1.00 0.00 C ATOM 117 O GLU A 634 1.289 5.882 -9.355 1.00 0.00 O ATOM 118 CB GLU A 634 0.004 2.966 -8.608 1.00 0.00 C ATOM 119 CG GLU A 634 -0.280 2.250 -9.932 1.00 0.00 C ATOM 120 CD GLU A 634 -1.703 1.704 -9.938 1.00 0.00 C ATOM 121 OE1 GLU A 634 -2.350 1.779 -8.907 1.00 0.00 O ATOM 122 OE2 GLU A 634 -2.122 1.211 -10.973 1.00 0.00 O ATOM 0 H GLU A 634 1.630 5.120 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 634 2.135 2.835 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 634 -0.065 2.260 -7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 634 -0.746 3.737 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 634 -0.144 2.941 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 634 0.431 1.436 -10.074 1.00 0.00 H new ATOM 129 N GLU A 635 1.582 4.322 -10.948 1.00 0.00 N ATOM 130 CA GLU A 635 1.595 5.291 -12.033 1.00 0.00 C ATOM 131 C GLU A 635 0.231 5.299 -12.709 1.00 0.00 C ATOM 132 O GLU A 635 -0.552 4.369 -12.533 1.00 0.00 O ATOM 133 CB GLU A 635 2.678 4.928 -13.052 1.00 0.00 C ATOM 134 CG GLU A 635 2.253 3.674 -13.819 1.00 0.00 C ATOM 135 CD GLU A 635 3.360 3.240 -14.774 1.00 0.00 C ATOM 136 OE1 GLU A 635 4.342 3.958 -14.879 1.00 0.00 O ATOM 137 OE2 GLU A 635 3.209 2.198 -15.389 1.00 0.00 O ATOM 0 H GLU A 635 1.699 3.352 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 635 1.813 6.281 -11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 635 2.834 5.756 -13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 635 3.627 4.753 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 635 2.030 2.869 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 635 1.338 3.873 -14.377 1.00 0.00 H new ATOM 144 N GLU A 636 -0.053 6.353 -13.468 1.00 0.00 N ATOM 145 CA GLU A 636 -1.339 6.470 -14.153 1.00 0.00 C ATOM 146 C GLU A 636 -2.395 7.040 -13.211 1.00 0.00 C ATOM 147 O GLU A 636 -2.787 6.395 -12.237 1.00 0.00 O ATOM 148 CB GLU A 636 -1.804 5.102 -14.657 1.00 0.00 C ATOM 149 CG GLU A 636 -2.863 5.299 -15.739 1.00 0.00 C ATOM 150 CD GLU A 636 -2.200 5.731 -17.040 1.00 0.00 C ATOM 151 OE1 GLU A 636 -1.000 5.544 -17.159 1.00 0.00 O ATOM 152 OE2 GLU A 636 -2.901 6.236 -17.901 1.00 0.00 O ATOM 0 H GLU A 636 0.584 7.134 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 636 -1.209 7.143 -15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -0.959 4.542 -15.056 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -2.213 4.517 -13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -3.416 4.372 -15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -3.585 6.051 -15.421 1.00 0.00 H new ATOM 159 N ASP A 637 -2.849 8.253 -13.506 1.00 0.00 N ATOM 160 CA ASP A 637 -3.859 8.910 -12.683 1.00 0.00 C ATOM 161 C ASP A 637 -5.184 8.148 -12.702 1.00 0.00 C ATOM 162 O ASP A 637 -5.893 8.103 -11.697 1.00 0.00 O ATOM 163 CB ASP A 637 -4.087 10.337 -13.184 1.00 0.00 C ATOM 164 CG ASP A 637 -2.839 11.177 -12.941 1.00 0.00 C ATOM 165 OD1 ASP A 637 -1.989 10.733 -12.188 1.00 0.00 O ATOM 166 OD2 ASP A 637 -2.752 12.252 -13.512 1.00 0.00 O ATOM 0 H ASP A 637 -2.535 8.801 -14.307 1.00 0.00 H new ATOM 0 HA ASP A 637 -3.492 8.928 -11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 637 -4.326 10.325 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 637 -4.940 10.780 -12.670 1.00 0.00 H new ATOM 171 N GLU A 638 -5.526 7.567 -13.850 1.00 0.00 N ATOM 172 CA GLU A 638 -6.784 6.836 -13.971 1.00 0.00 C ATOM 173 C GLU A 638 -6.772 5.573 -13.112 1.00 0.00 C ATOM 174 O GLU A 638 -7.786 5.211 -12.518 1.00 0.00 O ATOM 175 CB GLU A 638 -7.040 6.471 -15.435 1.00 0.00 C ATOM 176 CG GLU A 638 -6.460 5.090 -15.740 1.00 0.00 C ATOM 177 CD GLU A 638 -6.456 4.851 -17.246 1.00 0.00 C ATOM 178 OE1 GLU A 638 -7.344 5.361 -17.909 1.00 0.00 O ATOM 179 OE2 GLU A 638 -5.566 4.160 -17.715 1.00 0.00 O ATOM 0 H GLU A 638 -4.959 7.587 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 638 -7.587 7.482 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 638 -8.111 6.477 -15.638 1.00 0.00 H new ATOM 0 HB3 GLU A 638 -6.587 7.217 -16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 638 -5.445 5.017 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 638 -7.050 4.320 -15.242 1.00 0.00 H new ATOM 186 N ALA A 639 -5.622 4.909 -13.039 1.00 0.00 N ATOM 187 CA ALA A 639 -5.514 3.696 -12.234 1.00 0.00 C ATOM 188 C ALA A 639 -5.554 4.039 -10.748 1.00 0.00 C ATOM 189 O ALA A 639 -6.253 3.392 -9.969 1.00 0.00 O ATOM 190 CB ALA A 639 -4.211 2.961 -12.554 1.00 0.00 C ATOM 0 H ALA A 639 -4.765 5.184 -13.519 1.00 0.00 H new ATOM 0 HA ALA A 639 -6.358 3.050 -12.474 1.00 0.00 H new ATOM 0 HB1 ALA A 639 -4.144 2.058 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 639 -4.196 2.690 -13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 639 -3.364 3.610 -12.334 1.00 0.00 H new ATOM 196 N ALA A 640 -4.798 5.064 -10.365 1.00 0.00 N ATOM 197 CA ALA A 640 -4.752 5.488 -8.971 1.00 0.00 C ATOM 198 C ALA A 640 -6.098 6.059 -8.535 1.00 0.00 C ATOM 199 O ALA A 640 -6.515 5.882 -7.391 1.00 0.00 O ATOM 200 CB ALA A 640 -3.660 6.543 -8.782 1.00 0.00 C ATOM 0 H ALA A 640 -4.213 5.612 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 640 -4.527 4.617 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 640 -3.632 6.855 -7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 640 -2.694 6.121 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 640 -3.875 7.406 -9.413 1.00 0.00 H new ATOM 206 N THR A 641 -6.774 6.751 -9.449 1.00 0.00 N ATOM 207 CA THR A 641 -8.069 7.344 -9.131 1.00 0.00 C ATOM 208 C THR A 641 -9.083 6.265 -8.772 1.00 0.00 C ATOM 209 O THR A 641 -9.784 6.370 -7.766 1.00 0.00 O ATOM 210 CB THR A 641 -8.586 8.143 -10.327 1.00 0.00 C ATOM 211 OG1 THR A 641 -7.634 9.138 -10.677 1.00 0.00 O ATOM 212 CG2 THR A 641 -9.914 8.808 -9.962 1.00 0.00 C ATOM 0 H THR A 641 -6.452 6.913 -10.403 1.00 0.00 H new ATOM 0 HA THR A 641 -7.939 8.006 -8.275 1.00 0.00 H new ATOM 0 HB THR A 641 -8.739 7.474 -11.174 1.00 0.00 H new ATOM 0 HG1 THR A 641 -6.914 8.731 -11.203 1.00 0.00 H new ATOM 0 HG21 THR A 641 -10.282 9.378 -10.815 1.00 0.00 H new ATOM 0 HG22 THR A 641 -10.643 8.043 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 641 -9.765 9.478 -9.115 1.00 0.00 H new ATOM 220 N VAL A 642 -9.157 5.229 -9.599 1.00 0.00 N ATOM 221 CA VAL A 642 -10.092 4.140 -9.350 1.00 0.00 C ATOM 222 C VAL A 642 -9.843 3.539 -7.971 1.00 0.00 C ATOM 223 O VAL A 642 -10.777 3.332 -7.195 1.00 0.00 O ATOM 224 CB VAL A 642 -9.935 3.062 -10.423 1.00 0.00 C ATOM 225 CG1 VAL A 642 -10.713 1.810 -10.014 1.00 0.00 C ATOM 226 CG2 VAL A 642 -10.478 3.587 -11.755 1.00 0.00 C ATOM 0 H VAL A 642 -8.588 5.121 -10.438 1.00 0.00 H new ATOM 0 HA VAL A 642 -11.108 4.533 -9.386 1.00 0.00 H new ATOM 0 HB VAL A 642 -8.880 2.811 -10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 642 -10.599 1.044 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 642 -10.327 1.435 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 642 -11.769 2.058 -9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 642 -10.367 2.820 -12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 642 -11.533 3.839 -11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 642 -9.922 4.477 -12.049 1.00 0.00 H new ATOM 236 N VAL A 643 -8.575 3.265 -7.673 1.00 0.00 N ATOM 237 CA VAL A 643 -8.209 2.694 -6.383 1.00 0.00 C ATOM 238 C VAL A 643 -8.601 3.637 -5.248 1.00 0.00 C ATOM 239 O VAL A 643 -9.120 3.205 -4.219 1.00 0.00 O ATOM 240 CB VAL A 643 -6.704 2.424 -6.337 1.00 0.00 C ATOM 241 CG1 VAL A 643 -6.334 1.813 -4.984 1.00 0.00 C ATOM 242 CG2 VAL A 643 -6.329 1.448 -7.456 1.00 0.00 C ATOM 0 H VAL A 643 -7.790 3.428 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 643 -8.746 1.754 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 643 -6.163 3.360 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 643 -5.261 1.621 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 643 -6.602 2.506 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 643 -6.874 0.876 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 643 -5.257 1.254 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 643 -6.871 0.512 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 643 -6.592 1.882 -8.421 1.00 0.00 H new ATOM 252 N CYS A 644 -8.347 4.930 -5.441 1.00 0.00 N ATOM 253 CA CYS A 644 -8.677 5.927 -4.425 1.00 0.00 C ATOM 254 C CYS A 644 -10.178 5.970 -4.173 1.00 0.00 C ATOM 255 O CYS A 644 -10.626 6.000 -3.028 1.00 0.00 O ATOM 256 CB CYS A 644 -8.200 7.312 -4.870 1.00 0.00 C ATOM 257 SG CYS A 644 -6.713 7.768 -3.948 1.00 0.00 S ATOM 0 H CYS A 644 -7.917 5.310 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 644 -8.172 5.645 -3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 644 -7.990 7.309 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 644 -8.985 8.049 -4.701 1.00 0.00 H new ATOM 0 HG CYS A 644 -7.034 8.056 -2.722 1.00 0.00 H new ATOM 263 N GLU A 645 -10.952 5.978 -5.250 1.00 0.00 N ATOM 264 CA GLU A 645 -12.402 6.028 -5.132 1.00 0.00 C ATOM 265 C GLU A 645 -12.930 4.803 -4.397 1.00 0.00 C ATOM 266 O GLU A 645 -13.861 4.906 -3.598 1.00 0.00 O ATOM 267 CB GLU A 645 -13.026 6.105 -6.524 1.00 0.00 C ATOM 268 CG GLU A 645 -12.677 7.451 -7.157 1.00 0.00 C ATOM 269 CD GLU A 645 -13.294 8.583 -6.344 1.00 0.00 C ATOM 270 OE1 GLU A 645 -14.238 8.320 -5.616 1.00 0.00 O ATOM 271 OE2 GLU A 645 -12.813 9.699 -6.459 1.00 0.00 O ATOM 0 H GLU A 645 -10.603 5.951 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 645 -12.673 6.915 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 645 -12.657 5.290 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 645 -14.108 5.990 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 645 -11.595 7.572 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 645 -13.044 7.486 -8.183 1.00 0.00 H new ATOM 278 N MET A 646 -12.332 3.646 -4.660 1.00 0.00 N ATOM 279 CA MET A 646 -12.763 2.425 -3.997 1.00 0.00 C ATOM 280 C MET A 646 -12.490 2.526 -2.501 1.00 0.00 C ATOM 281 O MET A 646 -13.388 2.330 -1.681 1.00 0.00 O ATOM 282 CB MET A 646 -12.028 1.218 -4.585 1.00 0.00 C ATOM 283 CG MET A 646 -12.736 -0.067 -4.153 1.00 0.00 C ATOM 284 SD MET A 646 -11.974 -1.485 -4.980 1.00 0.00 S ATOM 285 CE MET A 646 -10.750 -1.876 -3.706 1.00 0.00 C ATOM 0 H MET A 646 -11.560 3.530 -5.317 1.00 0.00 H new ATOM 0 HA MET A 646 -13.833 2.294 -4.156 1.00 0.00 H new ATOM 0 HB2 MET A 646 -12.006 1.286 -5.673 1.00 0.00 H new ATOM 0 HB3 MET A 646 -10.992 1.208 -4.245 1.00 0.00 H new ATOM 0 HG2 MET A 646 -12.670 -0.185 -3.071 1.00 0.00 H new ATOM 0 HG3 MET A 646 -13.795 -0.013 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 646 -10.160 -2.737 -4.020 1.00 0.00 H new ATOM 0 HE2 MET A 646 -10.092 -1.020 -3.559 1.00 0.00 H new ATOM 0 HE3 MET A 646 -11.260 -2.107 -2.771 1.00 0.00 H new ATOM 295 N LEU A 647 -11.250 2.859 -2.151 1.00 0.00 N ATOM 296 CA LEU A 647 -10.882 3.008 -0.747 1.00 0.00 C ATOM 297 C LEU A 647 -11.574 4.228 -0.155 1.00 0.00 C ATOM 298 O LEU A 647 -12.145 4.164 0.934 1.00 0.00 O ATOM 299 CB LEU A 647 -9.367 3.177 -0.606 1.00 0.00 C ATOM 300 CG LEU A 647 -8.680 1.813 -0.652 1.00 0.00 C ATOM 301 CD1 LEU A 647 -8.651 1.301 -2.093 1.00 0.00 C ATOM 302 CD2 LEU A 647 -7.248 1.955 -0.130 1.00 0.00 C ATOM 0 H LEU A 647 -10.492 3.029 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 647 -11.195 2.111 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 647 -8.988 3.811 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 647 -9.135 3.678 0.334 1.00 0.00 H new ATOM 0 HG LEU A 647 -9.229 1.105 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 647 -8.161 0.328 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 647 -9.671 1.205 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 647 -8.101 2.004 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 647 -6.752 0.985 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 647 -6.701 2.662 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 647 -7.270 2.320 0.897 1.00 0.00 H new ATOM 314 N THR A 648 -11.522 5.339 -0.885 1.00 0.00 N ATOM 315 CA THR A 648 -12.154 6.569 -0.426 1.00 0.00 C ATOM 316 C THR A 648 -13.627 6.315 -0.139 1.00 0.00 C ATOM 317 O THR A 648 -14.175 6.810 0.846 1.00 0.00 O ATOM 318 CB THR A 648 -12.003 7.671 -1.481 1.00 0.00 C ATOM 319 OG1 THR A 648 -10.627 7.831 -1.800 1.00 0.00 O ATOM 320 CG2 THR A 648 -12.555 8.990 -0.937 1.00 0.00 C ATOM 0 H THR A 648 -11.053 5.412 -1.788 1.00 0.00 H new ATOM 0 HA THR A 648 -11.664 6.898 0.490 1.00 0.00 H new ATOM 0 HB THR A 648 -12.559 7.391 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 648 -10.258 6.973 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 648 -12.445 9.769 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 648 -13.610 8.869 -0.691 1.00 0.00 H new ATOM 0 HG23 THR A 648 -12.004 9.273 -0.040 1.00 0.00 H new ATOM 328 N ALA A 649 -14.258 5.521 -0.999 1.00 0.00 N ATOM 329 CA ALA A 649 -15.664 5.182 -0.823 1.00 0.00 C ATOM 330 C ALA A 649 -15.834 4.318 0.419 1.00 0.00 C ATOM 331 O ALA A 649 -16.879 4.336 1.069 1.00 0.00 O ATOM 332 CB ALA A 649 -16.175 4.420 -2.045 1.00 0.00 C ATOM 0 H ALA A 649 -13.820 5.103 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 649 -16.237 6.102 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 649 -17.227 4.171 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 649 -16.065 5.042 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 649 -15.598 3.503 -2.170 1.00 0.00 H new ATOM 338 N ALA A 650 -14.793 3.554 0.734 1.00 0.00 N ATOM 339 CA ALA A 650 -14.818 2.671 1.892 1.00 0.00 C ATOM 340 C ALA A 650 -14.558 3.448 3.178 1.00 0.00 C ATOM 341 O ALA A 650 -14.597 2.885 4.273 1.00 0.00 O ATOM 342 CB ALA A 650 -13.757 1.585 1.729 1.00 0.00 C ATOM 0 H ALA A 650 -13.922 3.529 0.203 1.00 0.00 H new ATOM 0 HA ALA A 650 -15.807 2.218 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 650 -13.776 0.925 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 650 -13.963 1.007 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 650 -12.773 2.047 1.647 1.00 0.00 H new ATOM 348 N GLY A 651 -14.293 4.740 3.046 1.00 0.00 N ATOM 349 CA GLY A 651 -14.032 5.570 4.214 1.00 0.00 C ATOM 350 C GLY A 651 -12.535 5.699 4.466 1.00 0.00 C ATOM 351 O GLY A 651 -12.102 6.507 5.288 1.00 0.00 O ATOM 0 H GLY A 651 -14.253 5.232 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 651 -14.467 6.559 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 651 -14.516 5.136 5.089 1.00 0.00 H new ATOM 355 N PHE A 652 -11.749 4.901 3.752 1.00 0.00 N ATOM 356 CA PHE A 652 -10.300 4.940 3.907 1.00 0.00 C ATOM 357 C PHE A 652 -9.678 5.864 2.872 1.00 0.00 C ATOM 358 O PHE A 652 -9.967 5.765 1.680 1.00 0.00 O ATOM 359 CB PHE A 652 -9.717 3.531 3.766 1.00 0.00 C ATOM 360 CG PHE A 652 -10.088 2.722 4.985 1.00 0.00 C ATOM 361 CD1 PHE A 652 -9.291 2.787 6.134 1.00 0.00 C ATOM 362 CD2 PHE A 652 -11.231 1.916 4.971 1.00 0.00 C ATOM 363 CE1 PHE A 652 -9.637 2.046 7.269 1.00 0.00 C ATOM 364 CE2 PHE A 652 -11.579 1.175 6.107 1.00 0.00 C ATOM 365 CZ PHE A 652 -10.781 1.240 7.256 1.00 0.00 C ATOM 0 H PHE A 652 -12.087 4.225 3.066 1.00 0.00 H new ATOM 0 HA PHE A 652 -10.069 5.323 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 652 -10.102 3.053 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 652 -8.633 3.581 3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 652 -8.409 3.410 6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 652 -11.845 1.865 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 652 -9.021 2.096 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 652 -12.462 0.554 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 652 -11.048 0.668 8.132 1.00 0.00 H new ATOM 375 N LYS A 653 -8.825 6.766 3.339 1.00 0.00 N ATOM 376 CA LYS A 653 -8.170 7.709 2.447 1.00 0.00 C ATOM 377 C LYS A 653 -6.804 7.183 2.029 1.00 0.00 C ATOM 378 O LYS A 653 -6.023 6.724 2.862 1.00 0.00 O ATOM 379 CB LYS A 653 -8.004 9.061 3.145 1.00 0.00 C ATOM 380 CG LYS A 653 -7.528 10.105 2.133 1.00 0.00 C ATOM 381 CD LYS A 653 -8.727 10.653 1.356 1.00 0.00 C ATOM 382 CE LYS A 653 -8.235 11.614 0.278 1.00 0.00 C ATOM 383 NZ LYS A 653 -9.405 12.246 -0.391 1.00 0.00 N ATOM 0 H LYS A 653 -8.573 6.863 4.323 1.00 0.00 H new ATOM 0 HA LYS A 653 -8.790 7.833 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 653 -8.951 9.373 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 653 -7.285 8.975 3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 653 -7.014 10.917 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 653 -6.810 9.658 1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 653 -9.285 9.834 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 653 -9.409 11.167 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 653 -7.598 12.380 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 653 -7.629 11.079 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 653 -9.072 12.902 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 653 -9.996 11.509 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 653 -9.966 12.769 0.311 1.00 0.00 H new ATOM 397 N VAL A 654 -6.520 7.257 0.736 1.00 0.00 N ATOM 398 CA VAL A 654 -5.242 6.792 0.225 1.00 0.00 C ATOM 399 C VAL A 654 -4.621 7.850 -0.682 1.00 0.00 C ATOM 400 O VAL A 654 -5.322 8.510 -1.448 1.00 0.00 O ATOM 401 CB VAL A 654 -5.429 5.482 -0.543 1.00 0.00 C ATOM 402 CG1 VAL A 654 -6.212 5.739 -1.827 1.00 0.00 C ATOM 403 CG2 VAL A 654 -4.063 4.896 -0.893 1.00 0.00 C ATOM 0 H VAL A 654 -7.152 7.631 0.029 1.00 0.00 H new ATOM 0 HA VAL A 654 -4.571 6.614 1.065 1.00 0.00 H new ATOM 0 HB VAL A 654 -5.981 4.779 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 654 -6.341 4.802 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 654 -7.190 6.153 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 654 -5.665 6.446 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 654 -4.197 3.963 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 654 -3.511 5.604 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 654 -3.504 4.703 0.023 1.00 0.00 H new ATOM 413 N ILE A 655 -3.306 8.012 -0.584 1.00 0.00 N ATOM 414 CA ILE A 655 -2.611 9.003 -1.396 1.00 0.00 C ATOM 415 C ILE A 655 -1.886 8.326 -2.556 1.00 0.00 C ATOM 416 O ILE A 655 -1.211 7.312 -2.371 1.00 0.00 O ATOM 417 CB ILE A 655 -1.592 9.764 -0.543 1.00 0.00 C ATOM 418 CG1 ILE A 655 -2.247 10.238 0.758 1.00 0.00 C ATOM 419 CG2 ILE A 655 -1.084 10.979 -1.321 1.00 0.00 C ATOM 420 CD1 ILE A 655 -3.614 10.856 0.461 1.00 0.00 C ATOM 0 H ILE A 655 -2.706 7.476 0.043 1.00 0.00 H new ATOM 0 HA ILE A 655 -3.350 9.701 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 655 -0.760 9.101 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 655 -2.360 9.399 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 655 -1.607 10.970 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 655 -0.359 11.522 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 655 -0.610 10.647 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 655 -1.921 11.635 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 655 -4.072 11.190 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 655 -3.491 11.707 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 655 -4.255 10.112 -0.012 1.00 0.00 H new ATOM 432 N TRP A 656 -2.033 8.896 -3.749 1.00 0.00 N ATOM 433 CA TRP A 656 -1.389 8.344 -4.938 1.00 0.00 C ATOM 434 C TRP A 656 -0.036 9.009 -5.175 1.00 0.00 C ATOM 435 O TRP A 656 0.036 10.206 -5.449 1.00 0.00 O ATOM 436 CB TRP A 656 -2.286 8.558 -6.161 1.00 0.00 C ATOM 437 CG TRP A 656 -1.455 8.522 -7.402 1.00 0.00 C ATOM 438 CD1 TRP A 656 -0.797 7.434 -7.865 1.00 0.00 C ATOM 439 CD2 TRP A 656 -1.181 9.598 -8.343 1.00 0.00 C ATOM 440 NE1 TRP A 656 -0.137 7.775 -9.029 1.00 0.00 N ATOM 441 CE2 TRP A 656 -0.345 9.097 -9.367 1.00 0.00 C ATOM 442 CE3 TRP A 656 -1.577 10.947 -8.409 1.00 0.00 C ATOM 443 CZ2 TRP A 656 0.088 9.906 -10.418 1.00 0.00 C ATOM 444 CZ3 TRP A 656 -1.142 11.764 -9.465 1.00 0.00 C ATOM 445 CH2 TRP A 656 -0.314 11.244 -10.469 1.00 0.00 C ATOM 0 H TRP A 656 -2.589 9.735 -3.918 1.00 0.00 H new ATOM 0 HA TRP A 656 -1.232 7.277 -4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 656 -3.053 7.785 -6.202 1.00 0.00 H new ATOM 0 HB3 TRP A 656 -2.802 9.515 -6.084 1.00 0.00 H new ATOM 0 HD1 TRP A 656 -0.789 6.459 -7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 656 0.435 7.129 -9.573 1.00 0.00 H new ATOM 0 HE3 TRP A 656 -2.219 11.356 -7.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 656 0.729 9.501 -11.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 656 -1.447 12.799 -9.504 1.00 0.00 H new ATOM 0 HH2 TRP A 656 0.013 11.876 -11.281 1.00 0.00 H new ATOM 456 N LEU A 657 1.032 8.226 -5.069 1.00 0.00 N ATOM 457 CA LEU A 657 2.373 8.756 -5.277 1.00 0.00 C ATOM 458 C LEU A 657 3.017 8.125 -6.508 1.00 0.00 C ATOM 459 O LEU A 657 2.844 6.935 -6.771 1.00 0.00 O ATOM 460 CB LEU A 657 3.234 8.485 -4.044 1.00 0.00 C ATOM 461 CG LEU A 657 2.517 9.012 -2.798 1.00 0.00 C ATOM 462 CD1 LEU A 657 3.397 8.791 -1.569 1.00 0.00 C ATOM 463 CD2 LEU A 657 2.245 10.510 -2.957 1.00 0.00 C ATOM 0 H LEU A 657 0.996 7.232 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 657 2.300 9.832 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 657 3.421 7.416 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 657 4.205 8.969 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 657 1.574 8.479 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 657 2.885 9.167 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 657 3.595 7.726 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 657 4.340 9.323 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 657 1.735 10.883 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 657 3.189 11.040 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 657 1.617 10.675 -3.833 1.00 0.00 H new ATOM 475 N VAL A 658 3.755 8.934 -7.261 1.00 0.00 N ATOM 476 CA VAL A 658 4.418 8.454 -8.468 1.00 0.00 C ATOM 477 C VAL A 658 5.884 8.132 -8.189 1.00 0.00 C ATOM 478 O VAL A 658 6.616 7.703 -9.082 1.00 0.00 O ATOM 479 CB VAL A 658 4.327 9.519 -9.561 1.00 0.00 C ATOM 480 CG1 VAL A 658 4.914 8.969 -10.861 1.00 0.00 C ATOM 481 CG2 VAL A 658 2.860 9.896 -9.782 1.00 0.00 C ATOM 0 H VAL A 658 3.909 9.922 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 658 3.919 7.543 -8.798 1.00 0.00 H new ATOM 0 HB VAL A 658 4.888 10.402 -9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 658 4.849 9.729 -11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 658 5.958 8.700 -10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 658 4.354 8.086 -11.168 1.00 0.00 H new ATOM 0 HG21 VAL A 658 2.793 10.655 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 658 2.299 9.013 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 658 2.442 10.289 -8.855 1.00 0.00 H new ATOM 491 N ASP A 659 6.305 8.339 -6.945 1.00 0.00 N ATOM 492 CA ASP A 659 7.687 8.068 -6.555 1.00 0.00 C ATOM 493 C ASP A 659 7.768 7.682 -5.081 1.00 0.00 C ATOM 494 O ASP A 659 6.988 8.161 -4.258 1.00 0.00 O ATOM 495 CB ASP A 659 8.555 9.302 -6.806 1.00 0.00 C ATOM 496 CG ASP A 659 8.951 9.372 -8.276 1.00 0.00 C ATOM 497 OD1 ASP A 659 8.719 8.402 -8.978 1.00 0.00 O ATOM 498 OD2 ASP A 659 9.485 10.393 -8.678 1.00 0.00 O ATOM 0 H ASP A 659 5.714 8.692 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 659 8.053 7.236 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 659 8.010 10.203 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 659 9.448 9.261 -6.182 1.00 0.00 H new ATOM 503 N GLY A 660 8.714 6.804 -4.759 1.00 0.00 N ATOM 504 CA GLY A 660 8.892 6.346 -3.383 1.00 0.00 C ATOM 505 C GLY A 660 9.430 7.451 -2.474 1.00 0.00 C ATOM 506 O GLY A 660 9.003 7.579 -1.327 1.00 0.00 O ATOM 0 H GLY A 660 9.367 6.397 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 660 7.938 5.989 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 660 9.579 5.499 -3.369 1.00 0.00 H new ATOM 510 N SER A 661 10.375 8.237 -2.983 1.00 0.00 N ATOM 511 CA SER A 661 10.968 9.312 -2.191 1.00 0.00 C ATOM 512 C SER A 661 9.909 10.312 -1.737 1.00 0.00 C ATOM 513 O SER A 661 9.960 10.816 -0.615 1.00 0.00 O ATOM 514 CB SER A 661 12.027 10.041 -3.015 1.00 0.00 C ATOM 515 OG SER A 661 11.401 10.662 -4.130 1.00 0.00 O ATOM 0 H SER A 661 10.744 8.152 -3.930 1.00 0.00 H new ATOM 0 HA SER A 661 11.426 8.865 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 661 12.532 10.788 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 661 12.789 9.339 -3.354 1.00 0.00 H new ATOM 0 HG SER A 661 12.075 11.134 -4.663 1.00 0.00 H new ATOM 521 N THR A 662 8.944 10.588 -2.607 1.00 0.00 N ATOM 522 CA THR A 662 7.881 11.523 -2.266 1.00 0.00 C ATOM 523 C THR A 662 7.090 10.993 -1.081 1.00 0.00 C ATOM 524 O THR A 662 6.677 11.750 -0.203 1.00 0.00 O ATOM 525 CB THR A 662 6.946 11.720 -3.462 1.00 0.00 C ATOM 526 OG1 THR A 662 7.693 12.192 -4.575 1.00 0.00 O ATOM 527 CG2 THR A 662 5.860 12.736 -3.104 1.00 0.00 C ATOM 0 H THR A 662 8.876 10.184 -3.541 1.00 0.00 H new ATOM 0 HA THR A 662 8.327 12.482 -2.004 1.00 0.00 H new ATOM 0 HB THR A 662 6.478 10.769 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 662 7.095 12.317 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 662 5.196 12.874 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 662 5.286 12.370 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 662 6.323 13.688 -2.847 1.00 0.00 H new ATOM 535 N ALA A 663 6.886 9.683 -1.068 1.00 0.00 N ATOM 536 CA ALA A 663 6.145 9.045 0.010 1.00 0.00 C ATOM 537 C ALA A 663 6.870 9.202 1.337 1.00 0.00 C ATOM 538 O ALA A 663 6.251 9.485 2.359 1.00 0.00 O ATOM 539 CB ALA A 663 5.959 7.558 -0.293 1.00 0.00 C ATOM 0 H ALA A 663 7.222 9.044 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 663 5.172 9.530 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 663 5.404 7.088 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 663 5.406 7.443 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 663 6.935 7.081 -0.389 1.00 0.00 H new ATOM 545 N LEU A 664 8.180 9.010 1.323 1.00 0.00 N ATOM 546 CA LEU A 664 8.960 9.125 2.546 1.00 0.00 C ATOM 547 C LEU A 664 8.764 10.499 3.189 1.00 0.00 C ATOM 548 O LEU A 664 8.563 10.605 4.401 1.00 0.00 O ATOM 549 CB LEU A 664 10.444 8.906 2.240 1.00 0.00 C ATOM 550 CG LEU A 664 10.638 7.554 1.544 1.00 0.00 C ATOM 551 CD1 LEU A 664 12.133 7.240 1.445 1.00 0.00 C ATOM 552 CD2 LEU A 664 9.945 6.453 2.352 1.00 0.00 C ATOM 0 H LEU A 664 8.720 8.777 0.490 1.00 0.00 H new ATOM 0 HA LEU A 664 8.616 8.363 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 664 10.816 9.709 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 664 11.023 8.936 3.163 1.00 0.00 H new ATOM 0 HG LEU A 664 10.205 7.600 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 664 12.271 6.279 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 664 12.631 8.020 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 664 12.563 7.198 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 664 10.085 5.493 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 664 10.376 6.409 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 664 8.880 6.671 2.426 1.00 0.00 H new ATOM 564 N ASP A 665 8.826 11.546 2.368 1.00 0.00 N ATOM 565 CA ASP A 665 8.661 12.912 2.865 1.00 0.00 C ATOM 566 C ASP A 665 7.263 13.144 3.436 1.00 0.00 C ATOM 567 O ASP A 665 7.112 13.764 4.488 1.00 0.00 O ATOM 568 CB ASP A 665 8.909 13.909 1.731 1.00 0.00 C ATOM 569 CG ASP A 665 10.367 13.850 1.293 1.00 0.00 C ATOM 570 OD1 ASP A 665 11.158 13.262 2.012 1.00 0.00 O ATOM 571 OD2 ASP A 665 10.673 14.396 0.246 1.00 0.00 O ATOM 0 H ASP A 665 8.988 11.477 1.363 1.00 0.00 H new ATOM 0 HA ASP A 665 9.386 13.060 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 665 8.258 13.681 0.887 1.00 0.00 H new ATOM 0 HB3 ASP A 665 8.661 14.917 2.062 1.00 0.00 H new ATOM 576 N GLN A 666 6.245 12.659 2.734 1.00 0.00 N ATOM 577 CA GLN A 666 4.867 12.839 3.185 1.00 0.00 C ATOM 578 C GLN A 666 4.453 11.734 4.146 1.00 0.00 C ATOM 579 O GLN A 666 3.957 11.997 5.241 1.00 0.00 O ATOM 580 CB GLN A 666 3.919 12.836 1.982 1.00 0.00 C ATOM 581 CG GLN A 666 4.162 14.079 1.129 1.00 0.00 C ATOM 582 CD GLN A 666 3.165 14.116 -0.024 1.00 0.00 C ATOM 583 OE1 GLN A 666 3.177 15.049 -0.828 1.00 0.00 O ATOM 584 NE2 GLN A 666 2.294 13.152 -0.153 1.00 0.00 N ATOM 0 H GLN A 666 6.344 12.143 1.860 1.00 0.00 H new ATOM 0 HA GLN A 666 4.808 13.795 3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 666 4.077 11.938 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 666 2.884 12.814 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 666 4.060 14.976 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 666 5.181 14.072 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 666 2.285 12.380 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 666 1.622 13.171 -0.920 1.00 0.00 H new ATOM 593 N LEU A 667 4.649 10.500 3.710 1.00 0.00 N ATOM 594 CA LEU A 667 4.282 9.337 4.505 1.00 0.00 C ATOM 595 C LEU A 667 4.716 9.475 5.958 1.00 0.00 C ATOM 596 O LEU A 667 4.001 9.047 6.862 1.00 0.00 O ATOM 597 CB LEU A 667 4.907 8.083 3.915 1.00 0.00 C ATOM 598 CG LEU A 667 4.329 6.868 4.639 1.00 0.00 C ATOM 599 CD1 LEU A 667 4.496 5.616 3.770 1.00 0.00 C ATOM 600 CD2 LEU A 667 5.056 6.659 5.976 1.00 0.00 C ATOM 0 H LEU A 667 5.063 10.276 2.805 1.00 0.00 H new ATOM 0 HA LEU A 667 3.195 9.263 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 667 4.699 8.022 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 667 5.991 8.111 4.027 1.00 0.00 H new ATOM 0 HG LEU A 667 3.269 7.042 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 667 4.082 4.753 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 667 3.970 5.756 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 667 5.555 5.448 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 667 4.638 5.791 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 667 6.118 6.495 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 667 4.929 7.543 6.601 1.00 0.00 H new ATOM 612 N ASP A 668 5.884 10.058 6.190 1.00 0.00 N ATOM 613 CA ASP A 668 6.360 10.204 7.558 1.00 0.00 C ATOM 614 C ASP A 668 5.330 10.956 8.392 1.00 0.00 C ATOM 615 O ASP A 668 5.081 10.610 9.546 1.00 0.00 O ATOM 616 CB ASP A 668 7.681 10.969 7.573 1.00 0.00 C ATOM 617 CG ASP A 668 7.445 12.403 7.115 1.00 0.00 C ATOM 618 OD1 ASP A 668 6.543 12.607 6.319 1.00 0.00 O ATOM 619 OD2 ASP A 668 8.169 13.277 7.564 1.00 0.00 O ATOM 0 H ASP A 668 6.505 10.428 5.470 1.00 0.00 H new ATOM 0 HA ASP A 668 6.513 9.212 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 668 8.106 10.962 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 668 8.403 10.481 6.918 1.00 0.00 H new ATOM 624 N LEU A 669 4.724 11.975 7.799 1.00 0.00 N ATOM 625 CA LEU A 669 3.710 12.756 8.497 1.00 0.00 C ATOM 626 C LEU A 669 2.367 12.024 8.496 1.00 0.00 C ATOM 627 O LEU A 669 1.536 12.233 9.381 1.00 0.00 O ATOM 628 CB LEU A 669 3.542 14.127 7.833 1.00 0.00 C ATOM 629 CG LEU A 669 4.880 14.872 7.828 1.00 0.00 C ATOM 630 CD1 LEU A 669 4.656 16.322 7.395 1.00 0.00 C ATOM 631 CD2 LEU A 669 5.487 14.850 9.233 1.00 0.00 C ATOM 0 H LEU A 669 4.914 12.279 6.844 1.00 0.00 H new ATOM 0 HA LEU A 669 4.040 12.891 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 669 3.181 14.004 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 669 2.793 14.711 8.368 1.00 0.00 H new ATOM 0 HG LEU A 669 5.561 14.384 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 669 5.608 16.852 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 669 4.227 16.340 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 669 3.973 16.808 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 669 6.439 15.381 9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 669 4.806 15.336 9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 669 5.649 13.818 9.543 1.00 0.00 H new ATOM 643 N LEU A 670 2.151 11.180 7.485 1.00 0.00 N ATOM 644 CA LEU A 670 0.891 10.444 7.372 1.00 0.00 C ATOM 645 C LEU A 670 0.793 9.345 8.421 1.00 0.00 C ATOM 646 O LEU A 670 -0.266 9.134 9.012 1.00 0.00 O ATOM 647 CB LEU A 670 0.768 9.799 5.987 1.00 0.00 C ATOM 648 CG LEU A 670 1.007 10.842 4.896 1.00 0.00 C ATOM 649 CD1 LEU A 670 0.455 10.328 3.565 1.00 0.00 C ATOM 650 CD2 LEU A 670 0.312 12.153 5.266 1.00 0.00 C ATOM 0 H LEU A 670 2.823 10.991 6.741 1.00 0.00 H new ATOM 0 HA LEU A 670 0.086 11.163 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 670 1.490 8.988 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -0.222 9.359 5.869 1.00 0.00 H new ATOM 0 HG LEU A 670 2.078 11.020 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 670 0.626 11.073 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 670 0.960 9.400 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -0.615 10.144 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 670 0.487 12.891 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -0.759 11.980 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 670 0.712 12.523 6.210 1.00 0.00 H new ATOM 662 N GLN A 671 1.892 8.632 8.641 1.00 0.00 N ATOM 663 CA GLN A 671 1.884 7.546 9.611 1.00 0.00 C ATOM 664 C GLN A 671 0.716 6.608 9.313 1.00 0.00 C ATOM 665 O GLN A 671 -0.248 6.534 10.075 1.00 0.00 O ATOM 666 CB GLN A 671 1.752 8.117 11.024 1.00 0.00 C ATOM 667 CG GLN A 671 2.965 8.999 11.328 1.00 0.00 C ATOM 668 CD GLN A 671 4.078 8.159 11.945 1.00 0.00 C ATOM 669 OE1 GLN A 671 4.093 7.942 13.157 1.00 0.00 O ATOM 670 NE2 GLN A 671 5.015 7.671 11.179 1.00 0.00 N ATOM 0 H GLN A 671 2.784 8.783 8.170 1.00 0.00 H new ATOM 0 HA GLN A 671 2.818 6.988 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 671 0.834 8.699 11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 671 1.685 7.308 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 671 3.320 9.472 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 671 2.681 9.800 12.011 1.00 0.00 H new ATOM 0 HE21 GLN A 671 4.999 7.853 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 671 5.763 7.108 11.584 1.00 0.00 H new ATOM 679 N PRO A 672 0.784 5.920 8.204 1.00 0.00 N ATOM 680 CA PRO A 672 -0.287 4.985 7.750 1.00 0.00 C ATOM 681 C PRO A 672 -0.243 3.627 8.450 1.00 0.00 C ATOM 682 O PRO A 672 0.788 3.222 8.987 1.00 0.00 O ATOM 683 CB PRO A 672 -0.001 4.828 6.258 1.00 0.00 C ATOM 684 CG PRO A 672 1.471 5.038 6.112 1.00 0.00 C ATOM 685 CD PRO A 672 1.906 5.962 7.253 1.00 0.00 C ATOM 0 HA PRO A 672 -1.280 5.373 7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -0.294 3.840 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -0.562 5.556 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 672 2.003 4.088 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 672 1.703 5.484 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 672 2.831 5.616 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 672 2.087 6.976 6.896 1.00 0.00 H new ATOM 693 N ILE A 673 -1.376 2.929 8.426 1.00 0.00 N ATOM 694 CA ILE A 673 -1.474 1.614 9.045 1.00 0.00 C ATOM 695 C ILE A 673 -1.230 0.525 8.000 1.00 0.00 C ATOM 696 O ILE A 673 -0.839 -0.594 8.332 1.00 0.00 O ATOM 697 CB ILE A 673 -2.865 1.438 9.663 1.00 0.00 C ATOM 698 CG1 ILE A 673 -3.144 2.599 10.620 1.00 0.00 C ATOM 699 CG2 ILE A 673 -2.928 0.120 10.439 1.00 0.00 C ATOM 700 CD1 ILE A 673 -4.587 2.514 11.124 1.00 0.00 C ATOM 0 H ILE A 673 -2.237 3.253 7.985 1.00 0.00 H new ATOM 0 HA ILE A 673 -0.719 1.530 9.827 1.00 0.00 H new ATOM 0 HB ILE A 673 -3.611 1.424 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -2.452 2.564 11.461 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -2.981 3.549 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -3.920 0.002 10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -2.728 -0.711 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -2.181 0.129 11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -4.784 3.342 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -5.272 2.570 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -4.734 1.570 11.648 1.00 0.00 H new ATOM 712 N VAL A 674 -1.458 0.865 6.732 1.00 0.00 N ATOM 713 CA VAL A 674 -1.254 -0.089 5.644 1.00 0.00 C ATOM 714 C VAL A 674 -0.700 0.618 4.407 1.00 0.00 C ATOM 715 O VAL A 674 -1.119 1.730 4.072 1.00 0.00 O ATOM 716 CB VAL A 674 -2.575 -0.778 5.296 1.00 0.00 C ATOM 717 CG1 VAL A 674 -2.308 -1.937 4.332 1.00 0.00 C ATOM 718 CG2 VAL A 674 -3.226 -1.314 6.575 1.00 0.00 C ATOM 0 H VAL A 674 -1.781 1.786 6.435 1.00 0.00 H new ATOM 0 HA VAL A 674 -0.533 -0.837 5.973 1.00 0.00 H new ATOM 0 HB VAL A 674 -3.245 -0.060 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 674 -3.249 -2.428 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 674 -1.847 -1.554 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 674 -1.637 -2.655 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 674 -4.167 -1.805 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 674 -2.557 -2.031 7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 674 -3.418 -0.488 7.260 1.00 0.00 H new ATOM 728 N ILE A 675 0.250 -0.026 3.732 1.00 0.00 N ATOM 729 CA ILE A 675 0.851 0.564 2.540 1.00 0.00 C ATOM 730 C ILE A 675 0.726 -0.363 1.331 1.00 0.00 C ATOM 731 O ILE A 675 1.061 -1.547 1.402 1.00 0.00 O ATOM 732 CB ILE A 675 2.328 0.861 2.796 1.00 0.00 C ATOM 733 CG1 ILE A 675 2.459 1.785 4.009 1.00 0.00 C ATOM 734 CG2 ILE A 675 2.936 1.544 1.569 1.00 0.00 C ATOM 735 CD1 ILE A 675 3.940 2.039 4.290 1.00 0.00 C ATOM 0 H ILE A 675 0.616 -0.944 3.986 1.00 0.00 H new ATOM 0 HA ILE A 675 0.316 1.488 2.321 1.00 0.00 H new ATOM 0 HB ILE A 675 2.856 -0.073 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 675 1.946 2.728 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 675 1.984 1.332 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 675 3.989 1.755 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 675 2.844 0.887 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 675 2.408 2.477 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 675 4.039 2.697 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 675 4.439 1.092 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 675 4.400 2.509 3.421 1.00 0.00 H new ATOM 747 N LEU A 676 0.258 0.193 0.217 1.00 0.00 N ATOM 748 CA LEU A 676 0.111 -0.575 -1.015 1.00 0.00 C ATOM 749 C LEU A 676 1.220 -0.196 -1.993 1.00 0.00 C ATOM 750 O LEU A 676 1.665 0.953 -2.017 1.00 0.00 O ATOM 751 CB LEU A 676 -1.258 -0.310 -1.643 1.00 0.00 C ATOM 752 CG LEU A 676 -2.351 -0.760 -0.669 1.00 0.00 C ATOM 753 CD1 LEU A 676 -2.492 0.268 0.452 1.00 0.00 C ATOM 754 CD2 LEU A 676 -3.687 -0.893 -1.404 1.00 0.00 C ATOM 0 H LEU A 676 -0.025 1.170 0.142 1.00 0.00 H new ATOM 0 HA LEU A 676 0.187 -1.637 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -1.369 0.750 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -1.350 -0.848 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 676 -2.075 -1.727 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -3.270 -0.053 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -1.546 0.357 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -2.761 1.235 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -4.458 -1.213 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -3.964 0.070 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -3.592 -1.631 -2.201 1.00 0.00 H new ATOM 766 N MET A 677 1.682 -1.159 -2.786 1.00 0.00 N ATOM 767 CA MET A 677 2.756 -0.881 -3.734 1.00 0.00 C ATOM 768 C MET A 677 2.500 -1.550 -5.083 1.00 0.00 C ATOM 769 O MET A 677 2.415 -2.776 -5.178 1.00 0.00 O ATOM 770 CB MET A 677 4.085 -1.381 -3.164 1.00 0.00 C ATOM 771 CG MET A 677 3.828 -2.158 -1.870 1.00 0.00 C ATOM 772 SD MET A 677 5.405 -2.512 -1.056 1.00 0.00 S ATOM 773 CE MET A 677 5.721 -0.838 -0.444 1.00 0.00 C ATOM 0 H MET A 677 1.338 -2.119 -2.793 1.00 0.00 H new ATOM 0 HA MET A 677 2.796 0.197 -3.891 1.00 0.00 H new ATOM 0 HB2 MET A 677 4.587 -2.020 -3.891 1.00 0.00 H new ATOM 0 HB3 MET A 677 4.749 -0.539 -2.969 1.00 0.00 H new ATOM 0 HG2 MET A 677 3.186 -1.578 -1.207 1.00 0.00 H new ATOM 0 HG3 MET A 677 3.303 -3.088 -2.090 1.00 0.00 H new ATOM 0 HE1 MET A 677 6.312 -0.890 0.470 1.00 0.00 H new ATOM 0 HE2 MET A 677 6.268 -0.272 -1.198 1.00 0.00 H new ATOM 0 HE3 MET A 677 4.773 -0.342 -0.235 1.00 0.00 H new ATOM 783 N ALA A 678 2.395 -0.731 -6.127 1.00 0.00 N ATOM 784 CA ALA A 678 2.168 -1.241 -7.476 1.00 0.00 C ATOM 785 C ALA A 678 3.400 -1.985 -7.983 1.00 0.00 C ATOM 786 O ALA A 678 4.531 -1.607 -7.676 1.00 0.00 O ATOM 787 CB ALA A 678 1.839 -0.089 -8.425 1.00 0.00 C ATOM 0 H ALA A 678 2.463 0.285 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 678 1.327 -1.933 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 678 1.672 -0.481 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 678 0.940 0.421 -8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 678 2.671 0.615 -8.445 1.00 0.00 H new ATOM 793 N TRP A 679 3.180 -3.043 -8.760 1.00 0.00 N ATOM 794 CA TRP A 679 4.293 -3.822 -9.293 1.00 0.00 C ATOM 795 C TRP A 679 4.333 -3.802 -10.821 1.00 0.00 C ATOM 796 O TRP A 679 5.410 -3.876 -11.412 1.00 0.00 O ATOM 797 CB TRP A 679 4.197 -5.272 -8.815 1.00 0.00 C ATOM 798 CG TRP A 679 5.561 -5.759 -8.449 1.00 0.00 C ATOM 799 CD1 TRP A 679 6.248 -6.721 -9.107 1.00 0.00 C ATOM 800 CD2 TRP A 679 6.415 -5.321 -7.356 1.00 0.00 C ATOM 801 NE1 TRP A 679 7.471 -6.900 -8.486 1.00 0.00 N ATOM 802 CE2 TRP A 679 7.619 -6.062 -7.400 1.00 0.00 C ATOM 803 CE3 TRP A 679 6.260 -4.364 -6.339 1.00 0.00 C ATOM 804 CZ2 TRP A 679 8.638 -5.855 -6.469 1.00 0.00 C ATOM 805 CZ3 TRP A 679 7.283 -4.153 -5.399 1.00 0.00 C ATOM 806 CH2 TRP A 679 8.468 -4.899 -5.463 1.00 0.00 C ATOM 0 H TRP A 679 2.255 -3.377 -9.031 1.00 0.00 H new ATOM 0 HA TRP A 679 5.210 -3.362 -8.924 1.00 0.00 H new ATOM 0 HB2 TRP A 679 3.530 -5.341 -7.955 1.00 0.00 H new ATOM 0 HB3 TRP A 679 3.772 -5.899 -9.599 1.00 0.00 H new ATOM 0 HD1 TRP A 679 5.899 -7.261 -9.975 1.00 0.00 H new ATOM 0 HE1 TRP A 679 8.177 -7.569 -8.793 1.00 0.00 H new ATOM 0 HE3 TRP A 679 5.349 -3.787 -6.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 679 9.551 -6.429 -6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 679 7.156 -3.412 -4.623 1.00 0.00 H new ATOM 0 HH2 TRP A 679 9.249 -4.735 -4.736 1.00 0.00 H new ATOM 817 N PRO A 680 3.201 -3.729 -11.474 1.00 0.00 N ATOM 818 CA PRO A 680 3.147 -3.728 -12.964 1.00 0.00 C ATOM 819 C PRO A 680 4.114 -2.718 -13.592 1.00 0.00 C ATOM 820 O PRO A 680 4.771 -3.027 -14.588 1.00 0.00 O ATOM 821 CB PRO A 680 1.684 -3.410 -13.294 1.00 0.00 C ATOM 822 CG PRO A 680 0.908 -3.775 -12.068 1.00 0.00 C ATOM 823 CD PRO A 680 1.857 -3.639 -10.876 1.00 0.00 C ATOM 0 HA PRO A 680 3.465 -4.685 -13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 680 1.557 -2.355 -13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 680 1.344 -3.981 -14.158 1.00 0.00 H new ATOM 0 HG2 PRO A 680 0.045 -3.120 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 680 0.527 -4.794 -12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 680 1.714 -2.690 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 680 1.693 -4.429 -10.144 1.00 0.00 H new ATOM 831 N PRO A 681 4.233 -1.535 -13.037 1.00 0.00 N ATOM 832 CA PRO A 681 5.163 -0.495 -13.568 1.00 0.00 C ATOM 833 C PRO A 681 6.622 -0.905 -13.389 1.00 0.00 C ATOM 834 O PRO A 681 6.939 -1.751 -12.553 1.00 0.00 O ATOM 835 CB PRO A 681 4.855 0.761 -12.741 1.00 0.00 C ATOM 836 CG PRO A 681 3.609 0.466 -11.970 1.00 0.00 C ATOM 837 CD PRO A 681 3.505 -1.053 -11.857 1.00 0.00 C ATOM 0 HA PRO A 681 5.023 -0.339 -14.638 1.00 0.00 H new ATOM 0 HB2 PRO A 681 5.681 0.995 -12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 681 4.715 1.627 -13.388 1.00 0.00 H new ATOM 0 HG2 PRO A 681 3.649 0.925 -10.982 1.00 0.00 H new ATOM 0 HG3 PRO A 681 2.735 0.876 -12.477 1.00 0.00 H new ATOM 0 HD2 PRO A 681 3.952 -1.418 -10.933 1.00 0.00 H new ATOM 0 HD3 PRO A 681 2.467 -1.386 -11.862 1.00 0.00 H new ATOM 845 N PRO A 682 7.508 -0.321 -14.147 1.00 0.00 N ATOM 846 CA PRO A 682 8.964 -0.630 -14.062 1.00 0.00 C ATOM 847 C PRO A 682 9.491 -0.439 -12.641 1.00 0.00 C ATOM 848 O PRO A 682 10.636 -0.778 -12.337 1.00 0.00 O ATOM 849 CB PRO A 682 9.618 0.360 -15.036 1.00 0.00 C ATOM 850 CG PRO A 682 8.571 1.384 -15.346 1.00 0.00 C ATOM 851 CD PRO A 682 7.224 0.694 -15.166 1.00 0.00 C ATOM 0 HA PRO A 682 9.182 -1.667 -14.315 1.00 0.00 H new ATOM 0 HB2 PRO A 682 10.498 0.824 -14.589 1.00 0.00 H new ATOM 0 HB3 PRO A 682 9.950 -0.146 -15.943 1.00 0.00 H new ATOM 0 HG2 PRO A 682 8.659 2.243 -14.680 1.00 0.00 H new ATOM 0 HG3 PRO A 682 8.683 1.757 -16.364 1.00 0.00 H new ATOM 0 HD2 PRO A 682 6.454 1.392 -14.837 1.00 0.00 H new ATOM 0 HD3 PRO A 682 6.873 0.246 -16.095 1.00 0.00 H new ATOM 859 N ASP A 683 8.638 0.102 -11.778 1.00 0.00 N ATOM 860 CA ASP A 683 8.999 0.336 -10.390 1.00 0.00 C ATOM 861 C ASP A 683 10.245 1.200 -10.304 1.00 0.00 C ATOM 862 O ASP A 683 10.330 2.251 -10.939 1.00 0.00 O ATOM 863 CB ASP A 683 9.257 -1.003 -9.698 1.00 0.00 C ATOM 864 CG ASP A 683 9.311 -0.813 -8.187 1.00 0.00 C ATOM 865 OD1 ASP A 683 10.385 -0.531 -7.683 1.00 0.00 O ATOM 866 OD2 ASP A 683 8.276 -0.951 -7.557 1.00 0.00 O ATOM 0 H ASP A 683 7.689 0.387 -12.019 1.00 0.00 H new ATOM 0 HA ASP A 683 8.178 0.855 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 683 8.469 -1.711 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 683 10.196 -1.429 -10.052 1.00 0.00 H new ATOM 871 N GLN A 684 11.208 0.739 -9.517 1.00 0.00 N ATOM 872 CA GLN A 684 12.466 1.448 -9.341 1.00 0.00 C ATOM 873 C GLN A 684 12.486 2.229 -8.028 1.00 0.00 C ATOM 874 O GLN A 684 13.096 1.798 -7.049 1.00 0.00 O ATOM 875 CB GLN A 684 12.729 2.398 -10.511 1.00 0.00 C ATOM 876 CG GLN A 684 14.223 2.718 -10.566 1.00 0.00 C ATOM 877 CD GLN A 684 14.635 3.481 -9.311 1.00 0.00 C ATOM 878 OE1 GLN A 684 14.100 4.554 -9.032 1.00 0.00 O ATOM 879 NE2 GLN A 684 15.555 2.985 -8.529 1.00 0.00 N ATOM 0 H GLN A 684 11.140 -0.130 -8.987 1.00 0.00 H new ATOM 0 HA GLN A 684 13.257 0.698 -9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 684 12.407 1.941 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 684 12.152 3.315 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 684 14.799 1.796 -10.648 1.00 0.00 H new ATOM 0 HG3 GLN A 684 14.445 3.312 -11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 684 15.997 2.096 -8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 684 15.832 3.487 -7.685 1.00 0.00 H new ATOM 888 N SER A 685 11.824 3.382 -8.015 1.00 0.00 N ATOM 889 CA SER A 685 11.783 4.218 -6.818 1.00 0.00 C ATOM 890 C SER A 685 11.003 3.532 -5.699 1.00 0.00 C ATOM 891 O SER A 685 11.239 3.788 -4.518 1.00 0.00 O ATOM 892 CB SER A 685 11.134 5.563 -7.146 1.00 0.00 C ATOM 893 OG SER A 685 9.737 5.377 -7.338 1.00 0.00 O ATOM 0 H SER A 685 11.312 3.757 -8.813 1.00 0.00 H new ATOM 0 HA SER A 685 12.806 4.378 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 685 11.310 6.272 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 685 11.583 5.987 -8.044 1.00 0.00 H new ATOM 0 HG SER A 685 9.463 5.801 -8.178 1.00 0.00 H new ATOM 899 N CYS A 686 10.075 2.662 -6.079 1.00 0.00 N ATOM 900 CA CYS A 686 9.267 1.944 -5.100 1.00 0.00 C ATOM 901 C CYS A 686 10.152 1.082 -4.203 1.00 0.00 C ATOM 902 O CYS A 686 9.762 0.718 -3.091 1.00 0.00 O ATOM 903 CB CYS A 686 8.245 1.062 -5.819 1.00 0.00 C ATOM 904 SG CYS A 686 6.571 1.626 -5.423 1.00 0.00 S ATOM 0 H CYS A 686 9.864 2.437 -7.051 1.00 0.00 H new ATOM 0 HA CYS A 686 8.745 2.672 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 686 8.408 1.103 -6.896 1.00 0.00 H new ATOM 0 HB3 CYS A 686 8.370 0.022 -5.517 1.00 0.00 H new ATOM 0 HG CYS A 686 6.559 2.149 -4.233 1.00 0.00 H new ATOM 910 N LEU A 687 11.343 0.757 -4.694 1.00 0.00 N ATOM 911 CA LEU A 687 12.275 -0.068 -3.932 1.00 0.00 C ATOM 912 C LEU A 687 12.681 0.639 -2.645 1.00 0.00 C ATOM 913 O LEU A 687 12.901 -0.002 -1.617 1.00 0.00 O ATOM 914 CB LEU A 687 13.526 -0.347 -4.768 1.00 0.00 C ATOM 915 CG LEU A 687 13.127 -1.036 -6.073 1.00 0.00 C ATOM 916 CD1 LEU A 687 14.365 -1.221 -6.951 1.00 0.00 C ATOM 917 CD2 LEU A 687 12.524 -2.404 -5.756 1.00 0.00 C ATOM 0 H LEU A 687 11.685 1.049 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 687 11.781 -1.007 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 687 14.048 0.586 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 687 14.217 -0.978 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 687 12.395 -0.424 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 687 14.081 -1.712 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 687 14.802 -0.248 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 687 15.096 -1.835 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 687 12.238 -2.899 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 687 13.260 -3.013 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 687 11.643 -2.276 -5.126 1.00 0.00 H new ATOM 929 N LEU A 688 12.782 1.962 -2.710 1.00 0.00 N ATOM 930 CA LEU A 688 13.165 2.741 -1.541 1.00 0.00 C ATOM 931 C LEU A 688 12.072 2.689 -0.477 1.00 0.00 C ATOM 932 O LEU A 688 12.361 2.622 0.718 1.00 0.00 O ATOM 933 CB LEU A 688 13.417 4.193 -1.946 1.00 0.00 C ATOM 934 CG LEU A 688 14.509 4.242 -3.014 1.00 0.00 C ATOM 935 CD1 LEU A 688 14.804 5.698 -3.372 1.00 0.00 C ATOM 936 CD2 LEU A 688 15.780 3.583 -2.472 1.00 0.00 C ATOM 0 H LEU A 688 12.606 2.512 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 688 14.078 2.314 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 688 12.499 4.640 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 688 13.718 4.777 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 688 14.173 3.709 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 688 15.583 5.735 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 688 13.899 6.169 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 688 15.141 6.230 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 688 16.560 3.617 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 688 16.116 4.117 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 688 15.570 2.545 -2.214 1.00 0.00 H new ATOM 948 N LEU A 689 10.816 2.715 -0.916 1.00 0.00 N ATOM 949 CA LEU A 689 9.695 2.664 0.016 1.00 0.00 C ATOM 950 C LEU A 689 9.758 1.386 0.847 1.00 0.00 C ATOM 951 O LEU A 689 9.637 1.419 2.078 1.00 0.00 O ATOM 952 CB LEU A 689 8.373 2.714 -0.755 1.00 0.00 C ATOM 953 CG LEU A 689 7.209 2.736 0.235 1.00 0.00 C ATOM 954 CD1 LEU A 689 7.242 4.039 1.033 1.00 0.00 C ATOM 955 CD2 LEU A 689 5.886 2.645 -0.528 1.00 0.00 C ATOM 0 H LEU A 689 10.552 2.770 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 689 9.755 3.524 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 689 8.342 3.600 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 689 8.290 1.849 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 689 7.298 1.888 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 689 6.412 4.054 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 689 8.183 4.108 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 689 7.155 4.885 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 689 5.056 2.661 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 689 5.799 3.492 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 689 5.858 1.717 -1.099 1.00 0.00 H new ATOM 967 N LEU A 690 9.968 0.262 0.170 1.00 0.00 N ATOM 968 CA LEU A 690 10.064 -1.016 0.861 1.00 0.00 C ATOM 969 C LEU A 690 11.253 -0.995 1.812 1.00 0.00 C ATOM 970 O LEU A 690 11.220 -1.607 2.879 1.00 0.00 O ATOM 971 CB LEU A 690 10.203 -2.165 -0.144 1.00 0.00 C ATOM 972 CG LEU A 690 8.850 -2.417 -0.817 1.00 0.00 C ATOM 973 CD1 LEU A 690 8.650 -1.422 -1.962 1.00 0.00 C ATOM 974 CD2 LEU A 690 8.810 -3.844 -1.373 1.00 0.00 C ATOM 0 H LEU A 690 10.074 0.210 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 690 9.151 -1.177 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 690 10.955 -1.918 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 690 10.543 -3.068 0.363 1.00 0.00 H new ATOM 0 HG LEU A 690 8.055 -2.289 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 690 7.687 -1.604 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 690 8.674 -0.406 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 690 9.447 -1.546 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 690 7.847 -4.021 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 690 9.608 -3.972 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 690 8.947 -4.556 -0.559 1.00 0.00 H new ATOM 986 N GLN A 691 12.298 -0.273 1.419 1.00 0.00 N ATOM 987 CA GLN A 691 13.488 -0.165 2.250 1.00 0.00 C ATOM 988 C GLN A 691 13.122 0.457 3.590 1.00 0.00 C ATOM 989 O GLN A 691 13.587 0.017 4.641 1.00 0.00 O ATOM 990 CB GLN A 691 14.536 0.704 1.555 1.00 0.00 C ATOM 991 CG GLN A 691 15.874 0.562 2.280 1.00 0.00 C ATOM 992 CD GLN A 691 16.484 -0.801 1.973 1.00 0.00 C ATOM 993 OE1 GLN A 691 16.538 -1.210 0.813 1.00 0.00 O ATOM 994 NE2 GLN A 691 16.949 -1.531 2.947 1.00 0.00 N ATOM 0 H GLN A 691 12.344 0.241 0.539 1.00 0.00 H new ATOM 0 HA GLN A 691 13.899 -1.162 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 691 14.641 0.403 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 691 14.218 1.747 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 691 16.554 1.354 1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 691 15.730 0.673 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 691 16.903 -1.190 3.907 1.00 0.00 H new ATOM 0 HE22 GLN A 691 17.359 -2.444 2.749 1.00 0.00 H new ATOM 1003 N HIS A 692 12.269 1.477 3.544 1.00 0.00 N ATOM 1004 CA HIS A 692 11.831 2.143 4.761 1.00 0.00 C ATOM 1005 C HIS A 692 11.200 1.122 5.699 1.00 0.00 C ATOM 1006 O HIS A 692 11.550 1.044 6.877 1.00 0.00 O ATOM 1007 CB HIS A 692 10.816 3.234 4.411 1.00 0.00 C ATOM 1008 CG HIS A 692 10.441 4.010 5.644 1.00 0.00 C ATOM 1009 ND1 HIS A 692 9.481 5.010 5.618 1.00 0.00 N ATOM 1010 CD2 HIS A 692 10.889 3.955 6.942 1.00 0.00 C ATOM 1011 CE1 HIS A 692 9.383 5.513 6.861 1.00 0.00 C ATOM 1012 NE2 HIS A 692 10.219 4.905 7.708 1.00 0.00 N ATOM 0 H HIS A 692 11.872 1.856 2.684 1.00 0.00 H new ATOM 0 HA HIS A 692 12.687 2.601 5.257 1.00 0.00 H new ATOM 0 HB2 HIS A 692 11.237 3.906 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 692 9.926 2.785 3.970 1.00 0.00 H new ATOM 0 HD1 HIS A 692 8.946 5.310 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 692 11.645 3.278 7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 692 8.711 6.311 7.141 1.00 0.00 H new ATOM 1021 N LEU A 693 10.280 0.326 5.161 1.00 0.00 N ATOM 1022 CA LEU A 693 9.622 -0.706 5.958 1.00 0.00 C ATOM 1023 C LEU A 693 10.652 -1.645 6.581 1.00 0.00 C ATOM 1024 O LEU A 693 10.526 -2.042 7.741 1.00 0.00 O ATOM 1025 CB LEU A 693 8.660 -1.511 5.082 1.00 0.00 C ATOM 1026 CG LEU A 693 7.520 -0.609 4.610 1.00 0.00 C ATOM 1027 CD1 LEU A 693 6.656 -1.369 3.604 1.00 0.00 C ATOM 1028 CD2 LEU A 693 6.662 -0.204 5.812 1.00 0.00 C ATOM 0 H LEU A 693 9.976 0.374 4.189 1.00 0.00 H new ATOM 0 HA LEU A 693 9.064 -0.217 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 693 9.191 -1.922 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 693 8.260 -2.355 5.644 1.00 0.00 H new ATOM 0 HG LEU A 693 7.932 0.283 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 693 5.842 -0.728 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 693 7.266 -1.663 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 693 6.243 -2.259 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 693 5.848 0.439 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 693 6.249 -1.097 6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 693 7.277 0.334 6.533 1.00 0.00 H new ATOM 1040 N ARG A 694 11.667 -2.000 5.798 1.00 0.00 N ATOM 1041 CA ARG A 694 12.712 -2.901 6.275 1.00 0.00 C ATOM 1042 C ARG A 694 13.478 -2.280 7.440 1.00 0.00 C ATOM 1043 O ARG A 694 13.825 -2.967 8.401 1.00 0.00 O ATOM 1044 CB ARG A 694 13.681 -3.225 5.135 1.00 0.00 C ATOM 1045 CG ARG A 694 14.718 -4.239 5.618 1.00 0.00 C ATOM 1046 CD ARG A 694 15.725 -4.515 4.501 1.00 0.00 C ATOM 1047 NE ARG A 694 15.047 -5.048 3.325 1.00 0.00 N ATOM 1048 CZ ARG A 694 15.662 -5.885 2.496 1.00 0.00 C ATOM 1049 NH1 ARG A 694 16.889 -6.258 2.734 1.00 0.00 N ATOM 1050 NH2 ARG A 694 15.035 -6.337 1.444 1.00 0.00 N ATOM 0 H ARG A 694 11.788 -1.680 4.837 1.00 0.00 H new ATOM 0 HA ARG A 694 12.238 -3.819 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 694 13.134 -3.627 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 694 14.177 -2.316 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 694 15.233 -3.856 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 694 14.225 -5.165 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 694 16.250 -3.596 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 694 16.477 -5.224 4.848 1.00 0.00 H new ATOM 0 HE ARG A 694 14.083 -4.773 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 694 17.378 -5.907 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 694 17.359 -6.901 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 694 14.074 -6.048 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 694 15.506 -6.979 0.807 1.00 0.00 H new ATOM 1064 N GLU A 695 13.744 -0.982 7.351 1.00 0.00 N ATOM 1065 CA GLU A 695 14.471 -0.295 8.412 1.00 0.00 C ATOM 1066 C GLU A 695 13.616 -0.183 9.670 1.00 0.00 C ATOM 1067 O GLU A 695 14.135 -0.197 10.786 1.00 0.00 O ATOM 1068 CB GLU A 695 14.893 1.101 7.950 1.00 0.00 C ATOM 1069 CG GLU A 695 15.891 0.976 6.797 1.00 0.00 C ATOM 1070 CD GLU A 695 17.118 0.192 7.251 1.00 0.00 C ATOM 1071 OE1 GLU A 695 17.326 0.098 8.449 1.00 0.00 O ATOM 1072 OE2 GLU A 695 17.831 -0.304 6.394 1.00 0.00 O ATOM 0 H GLU A 695 13.471 -0.390 6.566 1.00 0.00 H new ATOM 0 HA GLU A 695 15.361 -0.880 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 695 14.020 1.669 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 695 15.344 1.649 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 695 15.421 0.474 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 695 16.189 1.967 6.454 1.00 0.00 H new ATOM 1079 N HIS A 696 12.305 -0.062 9.483 1.00 0.00 N ATOM 1080 CA HIS A 696 11.393 0.063 10.614 1.00 0.00 C ATOM 1081 C HIS A 696 10.587 -1.215 10.820 1.00 0.00 C ATOM 1082 O HIS A 696 9.582 -1.215 11.531 1.00 0.00 O ATOM 1083 CB HIS A 696 10.456 1.250 10.394 1.00 0.00 C ATOM 1084 CG HIS A 696 11.280 2.506 10.335 1.00 0.00 C ATOM 1085 ND1 HIS A 696 10.828 3.669 9.732 1.00 0.00 N ATOM 1086 CD2 HIS A 696 12.543 2.788 10.793 1.00 0.00 C ATOM 1087 CE1 HIS A 696 11.808 4.587 9.840 1.00 0.00 C ATOM 1088 NE2 HIS A 696 12.875 4.100 10.478 1.00 0.00 N ATOM 0 H HIS A 696 11.854 -0.048 8.568 1.00 0.00 H new ATOM 0 HA HIS A 696 11.985 0.232 11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 696 9.894 1.122 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 696 9.728 1.313 11.203 1.00 0.00 H new ATOM 0 HD1 HIS A 696 9.920 3.805 9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 696 13.182 2.095 11.319 1.00 0.00 H new ATOM 0 HE1 HIS A 696 11.739 5.594 9.457 1.00 0.00 H new ATOM 1168 N PRO A 702 3.848 -3.937 13.314 1.00 0.00 N ATOM 1169 CA PRO A 702 4.268 -3.722 11.903 1.00 0.00 C ATOM 1170 C PRO A 702 3.073 -3.520 10.972 1.00 0.00 C ATOM 1171 O PRO A 702 2.035 -4.161 11.138 1.00 0.00 O ATOM 1172 CB PRO A 702 5.016 -5.008 11.548 1.00 0.00 C ATOM 1173 CG PRO A 702 5.513 -5.557 12.844 1.00 0.00 C ATOM 1174 CD PRO A 702 4.553 -5.069 13.932 1.00 0.00 C ATOM 0 HA PRO A 702 4.874 -2.823 11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 702 4.358 -5.719 11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 702 5.842 -4.805 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 702 5.543 -6.646 12.816 1.00 0.00 H new ATOM 0 HG3 PRO A 702 6.529 -5.215 13.044 1.00 0.00 H new ATOM 0 HD2 PRO A 702 3.859 -5.854 14.231 1.00 0.00 H new ATOM 0 HD3 PRO A 702 5.091 -4.761 14.828 1.00 0.00 H new ATOM 1182 N PRO A 703 3.198 -2.649 10.005 1.00 0.00 N ATOM 1183 CA PRO A 703 2.105 -2.368 9.032 1.00 0.00 C ATOM 1184 C PRO A 703 1.964 -3.475 7.993 1.00 0.00 C ATOM 1185 O PRO A 703 2.945 -4.121 7.624 1.00 0.00 O ATOM 1186 CB PRO A 703 2.536 -1.058 8.375 1.00 0.00 C ATOM 1187 CG PRO A 703 4.026 -1.043 8.469 1.00 0.00 C ATOM 1188 CD PRO A 703 4.396 -1.837 9.725 1.00 0.00 C ATOM 0 HA PRO A 703 1.130 -2.308 9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 703 2.207 -1.011 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 703 2.101 -0.199 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 703 4.474 -1.491 7.582 1.00 0.00 H new ATOM 0 HG3 PRO A 703 4.399 -0.021 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 703 5.272 -2.464 9.556 1.00 0.00 H new ATOM 0 HD3 PRO A 703 4.633 -1.176 10.559 1.00 0.00 H new ATOM 1196 N LEU A 704 0.740 -3.684 7.517 1.00 0.00 N ATOM 1197 CA LEU A 704 0.491 -4.710 6.512 1.00 0.00 C ATOM 1198 C LEU A 704 0.910 -4.204 5.137 1.00 0.00 C ATOM 1199 O LEU A 704 0.794 -3.014 4.843 1.00 0.00 O ATOM 1200 CB LEU A 704 -0.993 -5.082 6.495 1.00 0.00 C ATOM 1201 CG LEU A 704 -1.392 -5.645 7.861 1.00 0.00 C ATOM 1202 CD1 LEU A 704 -1.768 -4.499 8.806 1.00 0.00 C ATOM 1203 CD2 LEU A 704 -2.588 -6.585 7.692 1.00 0.00 C ATOM 0 H LEU A 704 -0.087 -3.162 7.808 1.00 0.00 H new ATOM 0 HA LEU A 704 1.076 -5.595 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 704 -1.596 -4.205 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 704 -1.186 -5.819 5.715 1.00 0.00 H new ATOM 0 HG LEU A 704 -0.552 -6.195 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 704 -2.051 -4.906 9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 704 -0.914 -3.832 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 704 -2.607 -3.942 8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 704 -2.874 -6.988 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -3.426 -6.034 7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 704 -2.316 -7.404 7.026 1.00 0.00 H new ATOM 1215 N VAL A 705 1.407 -5.107 4.299 1.00 0.00 N ATOM 1216 CA VAL A 705 1.844 -4.721 2.963 1.00 0.00 C ATOM 1217 C VAL A 705 1.087 -5.499 1.892 1.00 0.00 C ATOM 1218 O VAL A 705 1.054 -6.731 1.906 1.00 0.00 O ATOM 1219 CB VAL A 705 3.345 -4.977 2.818 1.00 0.00 C ATOM 1220 CG1 VAL A 705 3.811 -4.531 1.432 1.00 0.00 C ATOM 1221 CG2 VAL A 705 4.102 -4.182 3.882 1.00 0.00 C ATOM 0 H VAL A 705 1.516 -6.097 4.517 1.00 0.00 H new ATOM 0 HA VAL A 705 1.636 -3.660 2.829 1.00 0.00 H new ATOM 0 HB VAL A 705 3.542 -6.042 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 705 4.881 -4.714 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 705 3.273 -5.093 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 705 3.612 -3.467 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 705 5.172 -4.364 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 705 3.901 -3.119 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 705 3.774 -4.496 4.873 1.00 0.00 H new ATOM 1231 N LEU A 706 0.488 -4.768 0.957 1.00 0.00 N ATOM 1232 CA LEU A 706 -0.259 -5.394 -0.126 1.00 0.00 C ATOM 1233 C LEU A 706 0.376 -5.062 -1.470 1.00 0.00 C ATOM 1234 O LEU A 706 0.818 -3.936 -1.697 1.00 0.00 O ATOM 1235 CB LEU A 706 -1.712 -4.916 -0.105 1.00 0.00 C ATOM 1236 CG LEU A 706 -2.295 -5.119 1.295 1.00 0.00 C ATOM 1237 CD1 LEU A 706 -3.773 -4.731 1.294 1.00 0.00 C ATOM 1238 CD2 LEU A 706 -2.160 -6.589 1.701 1.00 0.00 C ATOM 0 H LEU A 706 0.505 -3.749 0.928 1.00 0.00 H new ATOM 0 HA LEU A 706 -0.236 -6.475 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 706 -1.764 -3.863 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 706 -2.299 -5.469 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 706 -1.752 -4.494 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 706 -4.188 -4.876 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 706 -3.874 -3.684 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 706 -4.313 -5.356 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 706 -2.576 -6.731 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 706 -2.701 -7.214 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 706 -1.107 -6.870 1.704 1.00 0.00 H new ATOM 1250 N PHE A 707 0.419 -6.049 -2.355 1.00 0.00 N ATOM 1251 CA PHE A 707 1.005 -5.849 -3.675 1.00 0.00 C ATOM 1252 C PHE A 707 -0.061 -5.911 -4.762 1.00 0.00 C ATOM 1253 O PHE A 707 -0.885 -6.825 -4.787 1.00 0.00 O ATOM 1254 CB PHE A 707 2.073 -6.912 -3.932 1.00 0.00 C ATOM 1255 CG PHE A 707 3.271 -6.637 -3.055 1.00 0.00 C ATOM 1256 CD1 PHE A 707 4.260 -5.748 -3.490 1.00 0.00 C ATOM 1257 CD2 PHE A 707 3.392 -7.264 -1.809 1.00 0.00 C ATOM 1258 CE1 PHE A 707 5.372 -5.486 -2.682 1.00 0.00 C ATOM 1259 CE2 PHE A 707 4.504 -7.002 -1.000 1.00 0.00 C ATOM 1260 CZ PHE A 707 5.494 -6.112 -1.436 1.00 0.00 C ATOM 0 H PHE A 707 0.059 -6.988 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 707 1.461 -4.860 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 707 1.673 -7.904 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.366 -6.903 -4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 707 4.165 -5.263 -4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 707 2.628 -7.949 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 707 6.136 -4.801 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 707 4.599 -7.486 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 707 6.351 -5.909 -0.811 1.00 0.00 H new ATOM 1270 N LEU A 708 -0.039 -4.932 -5.663 1.00 0.00 N ATOM 1271 CA LEU A 708 -1.010 -4.891 -6.750 1.00 0.00 C ATOM 1272 C LEU A 708 -0.433 -5.545 -8.004 1.00 0.00 C ATOM 1273 O LEU A 708 0.774 -5.491 -8.241 1.00 0.00 O ATOM 1274 CB LEU A 708 -1.397 -3.444 -7.055 1.00 0.00 C ATOM 1275 CG LEU A 708 -1.762 -2.728 -5.753 1.00 0.00 C ATOM 1276 CD1 LEU A 708 -2.307 -1.334 -6.070 1.00 0.00 C ATOM 1277 CD2 LEU A 708 -2.824 -3.540 -5.005 1.00 0.00 C ATOM 0 H LEU A 708 0.633 -4.165 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 708 -1.898 -5.442 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 708 -0.570 -2.931 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 708 -2.241 -3.420 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 708 -0.874 -2.633 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 708 -2.567 -0.825 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 708 -1.548 -0.758 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 708 -3.195 -1.424 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 708 -3.085 -3.031 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 708 -3.713 -3.637 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 708 -2.431 -4.531 -4.777 1.00 0.00 H new ATOM 1289 N GLY A 709 -1.301 -6.160 -8.803 1.00 0.00 N ATOM 1290 CA GLY A 709 -0.863 -6.818 -10.030 1.00 0.00 C ATOM 1291 C GLY A 709 -0.047 -8.069 -9.723 1.00 0.00 C ATOM 1292 O GLY A 709 -0.541 -9.006 -9.096 1.00 0.00 O ATOM 0 H GLY A 709 -2.304 -6.216 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 709 -1.731 -7.086 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 709 -0.264 -6.127 -10.623 1.00 0.00 H new ATOM 1296 N GLU A 710 1.204 -8.080 -10.175 1.00 0.00 N ATOM 1297 CA GLU A 710 2.076 -9.227 -9.948 1.00 0.00 C ATOM 1298 C GLU A 710 2.838 -9.079 -8.631 1.00 0.00 C ATOM 1299 O GLU A 710 3.154 -7.968 -8.206 1.00 0.00 O ATOM 1300 CB GLU A 710 3.073 -9.362 -11.102 1.00 0.00 C ATOM 1301 CG GLU A 710 2.314 -9.490 -12.426 1.00 0.00 C ATOM 1302 CD GLU A 710 2.748 -10.756 -13.158 1.00 0.00 C ATOM 1303 OE1 GLU A 710 3.896 -10.816 -13.567 1.00 0.00 O ATOM 1304 OE2 GLU A 710 1.927 -11.646 -13.299 1.00 0.00 O ATOM 0 H GLU A 710 1.633 -7.315 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 710 1.455 -10.121 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 710 3.731 -8.493 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 710 3.706 -10.236 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 710 1.241 -9.519 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 710 2.505 -8.616 -13.049 1.00 0.00 H new ATOM 1311 N PRO A 711 3.132 -10.179 -7.986 1.00 0.00 N ATOM 1312 CA PRO A 711 3.872 -10.193 -6.689 1.00 0.00 C ATOM 1313 C PRO A 711 5.369 -9.939 -6.855 1.00 0.00 C ATOM 1314 O PRO A 711 5.925 -10.099 -7.943 1.00 0.00 O ATOM 1315 CB PRO A 711 3.627 -11.605 -6.159 1.00 0.00 C ATOM 1316 CG PRO A 711 3.436 -12.445 -7.377 1.00 0.00 C ATOM 1317 CD PRO A 711 2.785 -11.542 -8.425 1.00 0.00 C ATOM 0 HA PRO A 711 3.529 -9.402 -6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 711 4.471 -11.956 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 711 2.749 -11.638 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 711 4.390 -12.832 -7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 711 2.804 -13.306 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 711 3.168 -11.749 -9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 711 1.705 -11.687 -8.461 1.00 0.00 H new ATOM 1325 N PRO A 712 6.019 -9.558 -5.788 1.00 0.00 N ATOM 1326 CA PRO A 712 7.489 -9.278 -5.779 1.00 0.00 C ATOM 1327 C PRO A 712 8.310 -10.529 -6.093 1.00 0.00 C ATOM 1328 O PRO A 712 7.861 -11.650 -5.859 1.00 0.00 O ATOM 1329 CB PRO A 712 7.764 -8.788 -4.353 1.00 0.00 C ATOM 1330 CG PRO A 712 6.620 -9.282 -3.531 1.00 0.00 C ATOM 1331 CD PRO A 712 5.417 -9.353 -4.466 1.00 0.00 C ATOM 0 HA PRO A 712 7.771 -8.551 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 712 8.711 -9.178 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 712 7.831 -7.701 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 712 6.841 -10.262 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 712 6.423 -8.610 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 712 4.749 -10.172 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 712 4.828 -8.437 -4.432 1.00 0.00 H new ATOM 1339 N VAL A 713 9.513 -10.329 -6.624 1.00 0.00 N ATOM 1340 CA VAL A 713 10.382 -11.453 -6.964 1.00 0.00 C ATOM 1341 C VAL A 713 11.079 -11.988 -5.715 1.00 0.00 C ATOM 1342 O VAL A 713 11.310 -13.191 -5.593 1.00 0.00 O ATOM 1343 CB VAL A 713 11.426 -11.014 -7.996 1.00 0.00 C ATOM 1344 CG1 VAL A 713 12.359 -12.183 -8.331 1.00 0.00 C ATOM 1345 CG2 VAL A 713 10.716 -10.559 -9.270 1.00 0.00 C ATOM 0 H VAL A 713 9.906 -9.410 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 713 9.770 -12.248 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 713 12.013 -10.194 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 713 13.097 -11.860 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 713 12.868 -12.513 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 713 11.776 -13.008 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 713 11.456 -10.246 -10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 713 10.129 -11.384 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 713 10.056 -9.722 -9.040 1.00 0.00 H new ATOM 1355 N ASP A 714 11.412 -11.092 -4.789 1.00 0.00 N ATOM 1356 CA ASP A 714 12.082 -11.500 -3.558 1.00 0.00 C ATOM 1357 C ASP A 714 11.122 -12.298 -2.672 1.00 0.00 C ATOM 1358 O ASP A 714 10.015 -11.841 -2.384 1.00 0.00 O ATOM 1359 CB ASP A 714 12.562 -10.263 -2.795 1.00 0.00 C ATOM 1360 CG ASP A 714 13.932 -10.525 -2.176 1.00 0.00 C ATOM 1361 OD1 ASP A 714 14.830 -10.899 -2.911 1.00 0.00 O ATOM 1362 OD2 ASP A 714 14.063 -10.344 -0.976 1.00 0.00 O ATOM 0 H ASP A 714 11.232 -10.091 -4.866 1.00 0.00 H new ATOM 0 HA ASP A 714 12.936 -12.126 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 714 12.617 -9.409 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 714 11.845 -10.007 -2.015 1.00 0.00 H new ATOM 1367 N PRO A 715 11.512 -13.471 -2.234 1.00 0.00 N ATOM 1368 CA PRO A 715 10.646 -14.318 -1.363 1.00 0.00 C ATOM 1369 C PRO A 715 10.478 -13.730 0.034 1.00 0.00 C ATOM 1370 O PRO A 715 9.488 -13.997 0.716 1.00 0.00 O ATOM 1371 CB PRO A 715 11.374 -15.661 -1.309 1.00 0.00 C ATOM 1372 CG PRO A 715 12.801 -15.365 -1.637 1.00 0.00 C ATOM 1373 CD PRO A 715 12.807 -14.110 -2.511 1.00 0.00 C ATOM 0 HA PRO A 715 9.633 -14.398 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 715 11.286 -16.114 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 715 10.947 -16.366 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 715 13.381 -15.205 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 715 13.258 -16.203 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 715 13.638 -13.452 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 715 12.910 -14.361 -3.567 1.00 0.00 H new ATOM 1381 N LEU A 716 11.449 -12.927 0.452 1.00 0.00 N ATOM 1382 CA LEU A 716 11.393 -12.308 1.769 1.00 0.00 C ATOM 1383 C LEU A 716 10.326 -11.224 1.805 1.00 0.00 C ATOM 1384 O LEU A 716 9.673 -11.020 2.827 1.00 0.00 O ATOM 1385 CB LEU A 716 12.753 -11.712 2.133 1.00 0.00 C ATOM 1386 CG LEU A 716 13.708 -12.840 2.518 1.00 0.00 C ATOM 1387 CD1 LEU A 716 13.207 -13.510 3.798 1.00 0.00 C ATOM 1388 CD2 LEU A 716 13.763 -13.871 1.387 1.00 0.00 C ATOM 0 H LEU A 716 12.276 -12.691 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 716 11.136 -13.076 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 716 13.155 -11.151 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 716 12.647 -11.011 2.961 1.00 0.00 H new ATOM 0 HG LEU A 716 14.706 -12.434 2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 716 13.886 -14.316 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 716 13.167 -12.775 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 716 12.210 -13.917 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 716 14.445 -14.676 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 716 12.767 -14.280 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 716 14.117 -13.391 0.474 1.00 0.00 H new ATOM 1400 N LEU A 717 10.142 -10.539 0.682 1.00 0.00 N ATOM 1401 CA LEU A 717 9.134 -9.493 0.611 1.00 0.00 C ATOM 1402 C LEU A 717 7.759 -10.126 0.447 1.00 0.00 C ATOM 1403 O LEU A 717 6.773 -9.648 1.005 1.00 0.00 O ATOM 1404 CB LEU A 717 9.430 -8.550 -0.558 1.00 0.00 C ATOM 1405 CG LEU A 717 10.790 -7.883 -0.334 1.00 0.00 C ATOM 1406 CD1 LEU A 717 11.090 -6.917 -1.481 1.00 0.00 C ATOM 1407 CD2 LEU A 717 10.763 -7.107 0.984 1.00 0.00 C ATOM 0 H LEU A 717 10.670 -10.687 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 717 9.153 -8.911 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 717 9.434 -9.105 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 717 8.649 -7.794 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 717 11.564 -8.650 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 717 12.059 -6.446 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 717 11.109 -7.465 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 717 10.316 -6.151 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 717 11.730 -6.631 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 717 9.986 -6.344 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 717 10.554 -7.792 1.805 1.00 0.00 H new ATOM 1419 N THR A 718 7.707 -11.225 -0.301 1.00 0.00 N ATOM 1420 CA THR A 718 6.453 -11.934 -0.502 1.00 0.00 C ATOM 1421 C THR A 718 5.953 -12.493 0.827 1.00 0.00 C ATOM 1422 O THR A 718 4.774 -12.372 1.161 1.00 0.00 O ATOM 1423 CB THR A 718 6.654 -13.076 -1.501 1.00 0.00 C ATOM 1424 OG1 THR A 718 7.152 -12.551 -2.724 1.00 0.00 O ATOM 1425 CG2 THR A 718 5.321 -13.784 -1.749 1.00 0.00 C ATOM 0 H THR A 718 8.512 -11.638 -0.772 1.00 0.00 H new ATOM 0 HA THR A 718 5.713 -11.239 -0.898 1.00 0.00 H new ATOM 0 HB THR A 718 7.369 -13.792 -1.095 1.00 0.00 H new ATOM 0 HG1 THR A 718 8.097 -12.313 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 718 5.467 -14.597 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 718 4.943 -14.188 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 718 4.601 -13.073 -2.154 1.00 0.00 H new ATOM 1433 N ALA A 719 6.866 -13.097 1.590 1.00 0.00 N ATOM 1434 CA ALA A 719 6.510 -13.661 2.887 1.00 0.00 C ATOM 1435 C ALA A 719 6.132 -12.552 3.862 1.00 0.00 C ATOM 1436 O ALA A 719 5.228 -12.712 4.682 1.00 0.00 O ATOM 1437 CB ALA A 719 7.684 -14.463 3.456 1.00 0.00 C ATOM 0 H ALA A 719 7.847 -13.206 1.333 1.00 0.00 H new ATOM 0 HA ALA A 719 5.655 -14.323 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 719 7.405 -14.879 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 719 7.936 -15.273 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 719 8.547 -13.808 3.577 1.00 0.00 H new ATOM 1443 N GLN A 720 6.831 -11.427 3.762 1.00 0.00 N ATOM 1444 CA GLN A 720 6.566 -10.294 4.636 1.00 0.00 C ATOM 1445 C GLN A 720 5.322 -9.548 4.165 1.00 0.00 C ATOM 1446 O GLN A 720 4.838 -8.637 4.838 1.00 0.00 O ATOM 1447 CB GLN A 720 7.772 -9.352 4.643 1.00 0.00 C ATOM 1448 CG GLN A 720 7.587 -8.288 5.725 1.00 0.00 C ATOM 1449 CD GLN A 720 8.847 -7.438 5.837 1.00 0.00 C ATOM 1450 OE1 GLN A 720 9.806 -7.647 5.093 1.00 0.00 O ATOM 1451 NE2 GLN A 720 8.909 -6.494 6.734 1.00 0.00 N ATOM 0 H GLN A 720 7.581 -11.277 3.088 1.00 0.00 H new ATOM 0 HA GLN A 720 6.393 -10.659 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 720 8.686 -9.917 4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 720 7.881 -8.878 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 720 6.732 -7.656 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 720 7.372 -8.763 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 720 8.114 -6.322 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 720 9.753 -5.927 6.820 1.00 0.00 H new ATOM 1460 N ALA A 721 4.805 -9.952 3.008 1.00 0.00 N ATOM 1461 CA ALA A 721 3.609 -9.330 2.452 1.00 0.00 C ATOM 1462 C ALA A 721 2.372 -9.773 3.231 1.00 0.00 C ATOM 1463 O ALA A 721 2.288 -10.918 3.674 1.00 0.00 O ATOM 1464 CB ALA A 721 3.454 -9.721 0.981 1.00 0.00 C ATOM 0 H ALA A 721 5.194 -10.704 2.440 1.00 0.00 H new ATOM 0 HA ALA A 721 3.710 -8.248 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 721 2.559 -9.253 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 721 4.327 -9.385 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 721 3.366 -10.804 0.900 1.00 0.00 H new ATOM 1470 N SER A 722 1.414 -8.865 3.392 1.00 0.00 N ATOM 1471 CA SER A 722 0.191 -9.189 4.118 1.00 0.00 C ATOM 1472 C SER A 722 -0.824 -9.838 3.187 1.00 0.00 C ATOM 1473 O SER A 722 -1.593 -10.705 3.599 1.00 0.00 O ATOM 1474 CB SER A 722 -0.410 -7.926 4.734 1.00 0.00 C ATOM 1475 OG SER A 722 0.396 -7.508 5.826 1.00 0.00 O ATOM 0 H SER A 722 1.459 -7.911 3.035 1.00 0.00 H new ATOM 0 HA SER A 722 0.441 -9.890 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 722 -0.468 -7.135 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 722 -1.428 -8.121 5.072 1.00 0.00 H new ATOM 0 HG SER A 722 -0.016 -7.798 6.667 1.00 0.00 H new ATOM 1481 N ALA A 723 -0.816 -9.417 1.926 1.00 0.00 N ATOM 1482 CA ALA A 723 -1.742 -9.975 0.947 1.00 0.00 C ATOM 1483 C ALA A 723 -1.408 -9.494 -0.464 1.00 0.00 C ATOM 1484 O ALA A 723 -1.216 -8.300 -0.698 1.00 0.00 O ATOM 1485 CB ALA A 723 -3.176 -9.570 1.297 1.00 0.00 C ATOM 0 H ALA A 723 -0.188 -8.701 1.562 1.00 0.00 H new ATOM 0 HA ALA A 723 -1.648 -11.061 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -3.862 -9.990 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -3.429 -9.948 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -3.259 -8.483 1.291 1.00 0.00 H new ATOM 1491 N ILE A 724 -1.351 -10.432 -1.402 1.00 0.00 N ATOM 1492 CA ILE A 724 -1.054 -10.090 -2.786 1.00 0.00 C ATOM 1493 C ILE A 724 -2.341 -9.859 -3.572 1.00 0.00 C ATOM 1494 O ILE A 724 -3.211 -10.729 -3.629 1.00 0.00 O ATOM 1495 CB ILE A 724 -0.242 -11.209 -3.440 1.00 0.00 C ATOM 1496 CG1 ILE A 724 1.083 -11.375 -2.693 1.00 0.00 C ATOM 1497 CG2 ILE A 724 0.041 -10.856 -4.901 1.00 0.00 C ATOM 1498 CD1 ILE A 724 1.862 -12.546 -3.293 1.00 0.00 C ATOM 0 H ILE A 724 -1.505 -11.426 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 724 -0.470 -9.169 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 724 -0.809 -12.139 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 724 1.670 -10.459 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 724 0.896 -11.553 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 724 0.620 -11.656 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 724 -0.901 -10.735 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 724 0.607 -9.925 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 724 2.806 -12.665 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 724 1.275 -13.460 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 724 2.061 -12.349 -4.346 1.00 0.00 H new ATOM 1510 N LEU A 725 -2.450 -8.681 -4.177 1.00 0.00 N ATOM 1511 CA LEU A 725 -3.629 -8.336 -4.966 1.00 0.00 C ATOM 1512 C LEU A 725 -3.288 -8.292 -6.452 1.00 0.00 C ATOM 1513 O LEU A 725 -2.155 -7.994 -6.830 1.00 0.00 O ATOM 1514 CB LEU A 725 -4.180 -6.979 -4.526 1.00 0.00 C ATOM 1515 CG LEU A 725 -4.469 -7.004 -3.025 1.00 0.00 C ATOM 1516 CD1 LEU A 725 -5.123 -5.683 -2.612 1.00 0.00 C ATOM 1517 CD2 LEU A 725 -5.418 -8.164 -2.710 1.00 0.00 C ATOM 0 H LEU A 725 -1.739 -7.951 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 725 -4.386 -9.103 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 725 -3.461 -6.192 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 725 -5.091 -6.749 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 725 -3.537 -7.136 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 725 -5.330 -5.698 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 725 -4.449 -4.857 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 725 -6.056 -5.552 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -5.626 -8.184 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -6.351 -8.030 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -4.954 -9.105 -3.007 1.00 0.00 H new ATOM 1529 N SER A 726 -4.279 -8.586 -7.289 1.00 0.00 N ATOM 1530 CA SER A 726 -4.077 -8.573 -8.733 1.00 0.00 C ATOM 1531 C SER A 726 -5.415 -8.657 -9.459 1.00 0.00 C ATOM 1532 O SER A 726 -5.757 -7.778 -10.251 1.00 0.00 O ATOM 1533 CB SER A 726 -3.194 -9.749 -9.149 1.00 0.00 C ATOM 1534 OG SER A 726 -2.348 -10.107 -8.064 1.00 0.00 O ATOM 0 H SER A 726 -5.223 -8.834 -6.994 1.00 0.00 H new ATOM 0 HA SER A 726 -3.586 -7.639 -9.004 1.00 0.00 H new ATOM 0 HB2 SER A 726 -3.812 -10.599 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 726 -2.595 -9.479 -10.019 1.00 0.00 H new ATOM 0 HG SER A 726 -1.715 -9.379 -7.889 1.00 0.00 H new ATOM 1540 N LYS A 727 -6.173 -9.712 -9.181 1.00 0.00 N ATOM 1541 CA LYS A 727 -7.474 -9.885 -9.815 1.00 0.00 C ATOM 1542 C LYS A 727 -8.591 -9.530 -8.837 1.00 0.00 C ATOM 1543 O LYS A 727 -8.476 -9.776 -7.637 1.00 0.00 O ATOM 1544 CB LYS A 727 -7.647 -11.333 -10.283 1.00 0.00 C ATOM 1545 CG LYS A 727 -7.800 -12.253 -9.068 1.00 0.00 C ATOM 1546 CD LYS A 727 -7.654 -13.712 -9.507 1.00 0.00 C ATOM 1547 CE LYS A 727 -6.174 -14.040 -9.710 1.00 0.00 C ATOM 1548 NZ LYS A 727 -5.972 -15.514 -9.615 1.00 0.00 N ATOM 0 H LYS A 727 -5.913 -10.452 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 727 -7.528 -9.220 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 727 -8.523 -11.415 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 727 -6.786 -11.639 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 727 -7.046 -12.011 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 727 -8.773 -12.098 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 727 -8.084 -14.374 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 727 -8.205 -13.881 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 727 -5.841 -13.679 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 727 -5.572 -13.531 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 727 -4.965 -15.736 -9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 727 -6.274 -15.846 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 727 -6.535 -15.990 -10.349 1.00 0.00 H new ATOM 1562 N PRO A 728 -9.662 -8.967 -9.326 1.00 0.00 N ATOM 1563 CA PRO A 728 -10.826 -8.572 -8.477 1.00 0.00 C ATOM 1564 C PRO A 728 -11.511 -9.786 -7.859 1.00 0.00 C ATOM 1565 O PRO A 728 -11.515 -10.871 -8.442 1.00 0.00 O ATOM 1566 CB PRO A 728 -11.764 -7.853 -9.451 1.00 0.00 C ATOM 1567 CG PRO A 728 -11.387 -8.362 -10.802 1.00 0.00 C ATOM 1568 CD PRO A 728 -9.888 -8.643 -10.743 1.00 0.00 C ATOM 0 HA PRO A 728 -10.528 -7.948 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 728 -12.808 -8.070 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 728 -11.643 -6.772 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 728 -11.944 -9.266 -11.048 1.00 0.00 H new ATOM 0 HG3 PRO A 728 -11.616 -7.627 -11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 728 -9.608 -9.470 -11.395 1.00 0.00 H new ATOM 0 HD3 PRO A 728 -9.304 -7.778 -11.056 1.00 0.00 H new ATOM 1576 N LEU A 729 -12.086 -9.600 -6.678 1.00 0.00 N ATOM 1577 CA LEU A 729 -12.766 -10.694 -5.996 1.00 0.00 C ATOM 1578 C LEU A 729 -13.385 -10.212 -4.688 1.00 0.00 C ATOM 1579 O LEU A 729 -12.779 -10.331 -3.624 1.00 0.00 O ATOM 1580 CB LEU A 729 -11.767 -11.816 -5.701 1.00 0.00 C ATOM 1581 CG LEU A 729 -12.522 -13.101 -5.351 1.00 0.00 C ATOM 1582 CD1 LEU A 729 -11.630 -14.309 -5.641 1.00 0.00 C ATOM 1583 CD2 LEU A 729 -12.894 -13.091 -3.866 1.00 0.00 C ATOM 0 H LEU A 729 -12.096 -8.712 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 729 -13.560 -11.065 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -11.127 -11.983 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -11.116 -11.529 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 729 -13.429 -13.162 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -12.166 -15.225 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -11.364 -14.320 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -10.723 -14.244 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -13.431 -14.007 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -11.987 -13.029 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -13.529 -12.230 -3.656 1.00 0.00 H new ATOM 1595 N ASP A 730 -14.594 -9.668 -4.771 1.00 0.00 N ATOM 1596 CA ASP A 730 -15.277 -9.175 -3.580 1.00 0.00 C ATOM 1597 C ASP A 730 -14.384 -8.195 -2.825 1.00 0.00 C ATOM 1598 O ASP A 730 -13.659 -8.582 -1.910 1.00 0.00 O ATOM 1599 CB ASP A 730 -15.638 -10.342 -2.657 1.00 0.00 C ATOM 1600 CG ASP A 730 -16.501 -11.357 -3.399 1.00 0.00 C ATOM 1601 OD1 ASP A 730 -16.959 -11.036 -4.483 1.00 0.00 O ATOM 1602 OD2 ASP A 730 -16.690 -12.441 -2.872 1.00 0.00 O ATOM 0 H ASP A 730 -15.117 -9.558 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 730 -16.188 -8.665 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -14.729 -10.823 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -16.172 -9.971 -1.782 1.00 0.00 H new ATOM 1607 N PRO A 731 -14.426 -6.942 -3.189 1.00 0.00 N ATOM 1608 CA PRO A 731 -13.603 -5.887 -2.531 1.00 0.00 C ATOM 1609 C PRO A 731 -13.738 -5.930 -1.012 1.00 0.00 C ATOM 1610 O PRO A 731 -13.123 -5.137 -0.300 1.00 0.00 O ATOM 1611 CB PRO A 731 -14.164 -4.579 -3.093 1.00 0.00 C ATOM 1612 CG PRO A 731 -14.788 -4.945 -4.399 1.00 0.00 C ATOM 1613 CD PRO A 731 -15.264 -6.392 -4.266 1.00 0.00 C ATOM 0 HA PRO A 731 -12.539 -6.013 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 731 -14.898 -4.143 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 731 -13.375 -3.839 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 731 -15.622 -4.282 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 731 -14.069 -4.847 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 731 -16.323 -6.443 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 731 -15.131 -6.943 -5.197 1.00 0.00 H new ATOM 1621 N GLN A 732 -14.551 -6.863 -0.524 1.00 0.00 N ATOM 1622 CA GLN A 732 -14.767 -6.998 0.910 1.00 0.00 C ATOM 1623 C GLN A 732 -13.499 -7.488 1.596 1.00 0.00 C ATOM 1624 O GLN A 732 -13.259 -7.180 2.763 1.00 0.00 O ATOM 1625 CB GLN A 732 -15.899 -7.990 1.183 1.00 0.00 C ATOM 1626 CG GLN A 732 -17.211 -7.451 0.609 1.00 0.00 C ATOM 1627 CD GLN A 732 -18.333 -8.454 0.856 1.00 0.00 C ATOM 1628 OE1 GLN A 732 -18.078 -9.650 0.994 1.00 0.00 O ATOM 1629 NE2 GLN A 732 -19.567 -8.035 0.930 1.00 0.00 N ATOM 0 H GLN A 732 -15.067 -7.531 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 732 -15.036 -6.019 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 732 -15.665 -8.955 0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 732 -16.001 -8.153 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 732 -17.456 -6.496 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 732 -17.103 -7.268 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 732 -19.777 -7.043 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 732 -20.322 -8.699 1.102 1.00 0.00 H new ATOM 1638 N LEU A 733 -12.683 -8.245 0.869 1.00 0.00 N ATOM 1639 CA LEU A 733 -11.444 -8.751 1.441 1.00 0.00 C ATOM 1640 C LEU A 733 -10.518 -7.587 1.770 1.00 0.00 C ATOM 1641 O LEU A 733 -9.929 -7.539 2.850 1.00 0.00 O ATOM 1642 CB LEU A 733 -10.756 -9.704 0.460 1.00 0.00 C ATOM 1643 CG LEU A 733 -9.494 -10.279 1.106 1.00 0.00 C ATOM 1644 CD1 LEU A 733 -9.884 -11.306 2.171 1.00 0.00 C ATOM 1645 CD2 LEU A 733 -8.637 -10.958 0.034 1.00 0.00 C ATOM 0 H LEU A 733 -12.854 -8.517 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 733 -11.674 -9.298 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -11.435 -10.510 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -10.499 -9.175 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 733 -8.927 -9.473 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -8.983 -11.714 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -10.494 -10.824 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -10.453 -12.112 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -7.737 -11.368 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -9.206 -11.763 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -8.356 -10.227 -0.724 1.00 0.00 H new ATOM 1657 N LEU A 734 -10.412 -6.631 0.848 1.00 0.00 N ATOM 1658 CA LEU A 734 -9.574 -5.465 1.088 1.00 0.00 C ATOM 1659 C LEU A 734 -10.067 -4.734 2.331 1.00 0.00 C ATOM 1660 O LEU A 734 -9.276 -4.325 3.183 1.00 0.00 O ATOM 1661 CB LEU A 734 -9.609 -4.516 -0.112 1.00 0.00 C ATOM 1662 CG LEU A 734 -8.595 -3.390 0.105 1.00 0.00 C ATOM 1663 CD1 LEU A 734 -7.180 -3.913 -0.158 1.00 0.00 C ATOM 1664 CD2 LEU A 734 -8.900 -2.236 -0.851 1.00 0.00 C ATOM 0 H LEU A 734 -10.887 -6.642 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 734 -8.547 -5.798 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 734 -9.376 -5.060 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 734 -10.610 -4.102 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 734 -8.663 -3.036 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 734 -6.460 -3.109 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 734 -6.962 -4.733 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 734 -7.109 -4.270 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 734 -8.178 -1.435 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 734 -8.835 -2.589 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 734 -9.905 -1.861 -0.659 1.00 0.00 H new ATOM 1676 N LEU A 735 -11.388 -4.590 2.433 1.00 0.00 N ATOM 1677 CA LEU A 735 -11.981 -3.922 3.584 1.00 0.00 C ATOM 1678 C LEU A 735 -11.645 -4.692 4.853 1.00 0.00 C ATOM 1679 O LEU A 735 -11.360 -4.105 5.897 1.00 0.00 O ATOM 1680 CB LEU A 735 -13.504 -3.851 3.429 1.00 0.00 C ATOM 1681 CG LEU A 735 -13.864 -3.142 2.123 1.00 0.00 C ATOM 1682 CD1 LEU A 735 -15.386 -3.078 1.982 1.00 0.00 C ATOM 1683 CD2 LEU A 735 -13.301 -1.721 2.137 1.00 0.00 C ATOM 0 H LEU A 735 -12.058 -4.923 1.740 1.00 0.00 H new ATOM 0 HA LEU A 735 -11.578 -2.911 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 735 -13.926 -4.856 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 735 -13.939 -3.318 4.274 1.00 0.00 H new ATOM 0 HG LEU A 735 -13.439 -3.694 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 735 -15.644 -2.573 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 735 -15.793 -4.089 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 735 -15.806 -2.527 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 735 -13.559 -1.218 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 735 -13.725 -1.170 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 735 -12.217 -1.760 2.240 1.00 0.00 H new ATOM 1695 N THR A 736 -11.680 -6.017 4.748 1.00 0.00 N ATOM 1696 CA THR A 736 -11.378 -6.874 5.885 1.00 0.00 C ATOM 1697 C THR A 736 -9.964 -6.623 6.384 1.00 0.00 C ATOM 1698 O THR A 736 -9.715 -6.606 7.589 1.00 0.00 O ATOM 1699 CB THR A 736 -11.526 -8.344 5.493 1.00 0.00 C ATOM 1700 OG1 THR A 736 -12.832 -8.566 4.977 1.00 0.00 O ATOM 1701 CG2 THR A 736 -11.300 -9.224 6.723 1.00 0.00 C ATOM 0 H THR A 736 -11.914 -6.517 3.890 1.00 0.00 H new ATOM 0 HA THR A 736 -12.082 -6.640 6.683 1.00 0.00 H new ATOM 0 HB THR A 736 -10.789 -8.596 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 736 -12.853 -8.329 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 736 -11.405 -10.273 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 736 -10.297 -9.051 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 736 -12.036 -8.976 7.488 1.00 0.00 H new ATOM 1709 N THR A 737 -9.038 -6.430 5.452 1.00 0.00 N ATOM 1710 CA THR A 737 -7.654 -6.184 5.824 1.00 0.00 C ATOM 1711 C THR A 737 -7.563 -4.934 6.692 1.00 0.00 C ATOM 1712 O THR A 737 -6.903 -4.936 7.730 1.00 0.00 O ATOM 1713 CB THR A 737 -6.798 -6.008 4.567 1.00 0.00 C ATOM 1714 OG1 THR A 737 -6.999 -7.117 3.699 1.00 0.00 O ATOM 1715 CG2 THR A 737 -5.322 -5.929 4.960 1.00 0.00 C ATOM 0 H THR A 737 -9.218 -6.439 4.448 1.00 0.00 H new ATOM 0 HA THR A 737 -7.283 -7.038 6.390 1.00 0.00 H new ATOM 0 HB THR A 737 -7.087 -5.089 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 737 -6.453 -7.005 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 737 -4.713 -5.804 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 737 -5.168 -5.080 5.625 1.00 0.00 H new ATOM 0 HG23 THR A 737 -5.032 -6.847 5.470 1.00 0.00 H new ATOM 1723 N LEU A 738 -8.244 -3.871 6.267 1.00 0.00 N ATOM 1724 CA LEU A 738 -8.243 -2.625 7.029 1.00 0.00 C ATOM 1725 C LEU A 738 -8.986 -2.793 8.353 1.00 0.00 C ATOM 1726 O LEU A 738 -8.473 -2.440 9.415 1.00 0.00 O ATOM 1727 CB LEU A 738 -8.911 -1.514 6.216 1.00 0.00 C ATOM 1728 CG LEU A 738 -8.089 -1.228 4.958 1.00 0.00 C ATOM 1729 CD1 LEU A 738 -8.764 -0.123 4.142 1.00 0.00 C ATOM 1730 CD2 LEU A 738 -6.688 -0.765 5.365 1.00 0.00 C ATOM 0 H LEU A 738 -8.797 -3.847 5.410 1.00 0.00 H new ATOM 0 HA LEU A 738 -7.207 -2.359 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 738 -9.923 -1.810 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 738 -8.996 -0.610 6.819 1.00 0.00 H new ATOM 0 HG LEU A 738 -8.021 -2.135 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 738 -8.176 0.079 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 738 -9.765 -0.443 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 738 -8.832 0.784 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 738 -6.099 -0.560 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 738 -6.764 0.142 5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 738 -6.202 -1.547 5.949 1.00 0.00 H new ATOM 1742 N GLN A 739 -10.201 -3.329 8.274 1.00 0.00 N ATOM 1743 CA GLN A 739 -11.024 -3.536 9.462 1.00 0.00 C ATOM 1744 C GLN A 739 -10.417 -4.592 10.381 1.00 0.00 C ATOM 1745 O GLN A 739 -10.648 -4.581 11.590 1.00 0.00 O ATOM 1746 CB GLN A 739 -12.439 -3.956 9.055 1.00 0.00 C ATOM 1747 CG GLN A 739 -13.088 -2.834 8.242 1.00 0.00 C ATOM 1748 CD GLN A 739 -14.551 -3.166 7.960 1.00 0.00 C ATOM 1749 OE1 GLN A 739 -15.277 -2.345 7.399 1.00 0.00 O ATOM 1750 NE2 GLN A 739 -15.031 -4.326 8.317 1.00 0.00 N ATOM 0 H GLN A 739 -10.637 -3.627 7.401 1.00 0.00 H new ATOM 0 HA GLN A 739 -11.067 -2.593 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 739 -12.403 -4.873 8.466 1.00 0.00 H new ATOM 0 HB3 GLN A 739 -13.036 -4.170 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 739 -13.020 -1.893 8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 739 -12.551 -2.698 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 739 -14.429 -5.006 8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 739 -16.008 -4.553 8.131 1.00 0.00 H new ATOM 1759 N GLY A 740 -9.658 -5.512 9.799 1.00 0.00 N ATOM 1760 CA GLY A 740 -9.040 -6.580 10.576 1.00 0.00 C ATOM 1761 C GLY A 740 -8.307 -6.029 11.794 1.00 0.00 C ATOM 1762 O GLY A 740 -8.202 -6.702 12.819 1.00 0.00 O ATOM 0 H GLY A 740 -9.456 -5.541 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 740 -9.805 -7.287 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 740 -8.341 -7.132 9.947 1.00 0.00 H new ATOM 1766 N LEU A 741 -7.801 -4.805 11.681 1.00 0.00 N ATOM 1767 CA LEU A 741 -7.083 -4.191 12.793 1.00 0.00 C ATOM 1768 C LEU A 741 -8.061 -3.542 13.765 1.00 0.00 C ATOM 1769 O LEU A 741 -7.713 -3.248 14.909 1.00 0.00 O ATOM 1770 CB LEU A 741 -6.106 -3.137 12.269 1.00 0.00 C ATOM 1771 CG LEU A 741 -5.041 -3.817 11.403 1.00 0.00 C ATOM 1772 CD1 LEU A 741 -5.649 -4.210 10.057 1.00 0.00 C ATOM 1773 CD2 LEU A 741 -3.876 -2.852 11.167 1.00 0.00 C ATOM 0 H LEU A 741 -7.873 -4.226 10.844 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.528 -4.969 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.641 -2.387 11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -5.635 -2.616 13.102 1.00 0.00 H new ATOM 0 HG LEU A 741 -4.679 -4.708 11.915 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.890 -4.694 9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -6.478 -4.899 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.014 -3.318 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -3.120 -3.338 10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.240 -1.960 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -3.437 -2.570 12.124 1.00 0.00 H new