USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 687 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 30 SER OG : rot -44:sc= 1.64 USER MOD Set 1.2: A 32 THR OG1 : rot 170:sc= 0.689 USER MOD Set 2.1: A 8 GLN : amide:sc=-0.00125 X(o=-0.019,f=0) USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.0181 X(o=-0.019,f=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.242 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -179:sc= -0.19 (180deg=-0.225) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= 1.29 (180deg=-0.107) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 26 THR OG1 : rot -37:sc= 0.0507 USER MOD Single : A 34 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.76) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.91 K(o=0.91,f=-0.034) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 45 CYS SG : rot -152:sc= 0.0309 USER MOD Single : A 49 CYS SG : rot 54:sc= 0.305 USER MOD Single : A 58 ASN : amide:sc= -0.3 K(o=-0.3,f=-5.6!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.18) USER MOD Single : A 61 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc=-0.00467 X(o=-0.0047,f=-0.0047) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 67 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 61:sc= 0.532 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.340 21.326 -19.164 1.00 0.00 N ATOM 2 CA GLY A 1 -8.294 19.864 -19.029 1.00 0.00 C ATOM 3 C GLY A 1 -8.212 19.508 -17.558 1.00 0.00 C ATOM 4 O GLY A 1 -8.399 20.409 -16.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.205 21.601 -19.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.339 21.762 -18.220 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.508 21.652 -19.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.182 19.416 -19.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.432 19.463 -19.562 1.00 0.00 H new ATOM 8 N SER A 2 -7.919 18.241 -17.256 1.00 0.00 N ATOM 9 CA SER A 2 -7.897 17.658 -15.917 1.00 0.00 C ATOM 10 C SER A 2 -9.334 17.490 -15.419 1.00 0.00 C ATOM 11 O SER A 2 -9.945 18.416 -14.893 1.00 0.00 O ATOM 12 CB SER A 2 -6.985 18.429 -14.952 1.00 0.00 C ATOM 13 OG SER A 2 -5.679 18.509 -15.499 1.00 0.00 O ATOM 0 H SER A 2 -7.679 17.561 -17.977 1.00 0.00 H new ATOM 0 HA SER A 2 -7.446 16.667 -15.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.381 19.430 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.956 17.928 -13.984 1.00 0.00 H new ATOM 0 HG SER A 2 -5.097 19.003 -14.884 1.00 0.00 H new ATOM 19 N SER A 3 -9.876 16.298 -15.653 1.00 0.00 N ATOM 20 CA SER A 3 -11.234 15.886 -15.357 1.00 0.00 C ATOM 21 C SER A 3 -11.113 14.442 -14.871 1.00 0.00 C ATOM 22 O SER A 3 -11.146 13.494 -15.667 1.00 0.00 O ATOM 23 CB SER A 3 -12.107 16.032 -16.617 1.00 0.00 C ATOM 24 OG SER A 3 -13.015 17.105 -16.525 1.00 0.00 O ATOM 0 H SER A 3 -9.336 15.547 -16.084 1.00 0.00 H new ATOM 0 HA SER A 3 -11.719 16.497 -14.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.464 16.178 -17.485 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.659 15.107 -16.781 1.00 0.00 H new ATOM 0 HG SER A 3 -13.544 17.157 -17.348 1.00 0.00 H new ATOM 30 N GLY A 4 -10.871 14.284 -13.574 1.00 0.00 N ATOM 31 CA GLY A 4 -10.584 13.026 -12.919 1.00 0.00 C ATOM 32 C GLY A 4 -9.411 13.269 -11.987 1.00 0.00 C ATOM 33 O GLY A 4 -9.614 13.371 -10.778 1.00 0.00 O ATOM 0 H GLY A 4 -10.871 15.071 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.453 12.674 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.342 12.256 -13.652 1.00 0.00 H new ATOM 37 N SER A 5 -8.211 13.410 -12.557 1.00 0.00 N ATOM 38 CA SER A 5 -6.905 13.483 -11.902 1.00 0.00 C ATOM 39 C SER A 5 -6.615 12.273 -11.001 1.00 0.00 C ATOM 40 O SER A 5 -5.704 11.502 -11.305 1.00 0.00 O ATOM 41 CB SER A 5 -6.718 14.839 -11.219 1.00 0.00 C ATOM 42 OG SER A 5 -6.805 15.876 -12.186 1.00 0.00 O ATOM 0 H SER A 5 -8.122 13.482 -13.571 1.00 0.00 H new ATOM 0 HA SER A 5 -6.138 13.419 -12.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.479 14.979 -10.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.750 14.875 -10.718 1.00 0.00 H new ATOM 0 HG SER A 5 -6.687 16.744 -11.746 1.00 0.00 H new ATOM 48 N SER A 6 -7.389 12.056 -9.939 1.00 0.00 N ATOM 49 CA SER A 6 -7.345 10.856 -9.122 1.00 0.00 C ATOM 50 C SER A 6 -7.672 9.643 -9.993 1.00 0.00 C ATOM 51 O SER A 6 -8.790 9.530 -10.500 1.00 0.00 O ATOM 52 CB SER A 6 -8.311 11.007 -7.940 1.00 0.00 C ATOM 53 OG SER A 6 -7.932 10.172 -6.860 1.00 0.00 O ATOM 0 H SER A 6 -8.082 12.732 -9.619 1.00 0.00 H new ATOM 0 HA SER A 6 -6.347 10.706 -8.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.328 12.046 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.323 10.757 -8.259 1.00 0.00 H new ATOM 0 HG SER A 6 -8.563 10.289 -6.119 1.00 0.00 H new ATOM 59 N GLY A 7 -6.696 8.756 -10.174 1.00 0.00 N ATOM 60 CA GLY A 7 -6.852 7.490 -10.865 1.00 0.00 C ATOM 61 C GLY A 7 -5.765 6.557 -10.362 1.00 0.00 C ATOM 62 O GLY A 7 -4.582 6.877 -10.498 1.00 0.00 O ATOM 0 H GLY A 7 -5.748 8.909 -9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.838 7.068 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.769 7.629 -11.943 1.00 0.00 H new ATOM 66 N GLN A 8 -6.155 5.446 -9.733 1.00 0.00 N ATOM 67 CA GLN A 8 -5.218 4.485 -9.171 1.00 0.00 C ATOM 68 C GLN A 8 -4.349 3.912 -10.293 1.00 0.00 C ATOM 69 O GLN A 8 -4.856 3.580 -11.369 1.00 0.00 O ATOM 70 CB GLN A 8 -5.963 3.372 -8.414 1.00 0.00 C ATOM 71 CG GLN A 8 -6.848 3.902 -7.268 1.00 0.00 C ATOM 72 CD GLN A 8 -6.567 3.213 -5.934 1.00 0.00 C ATOM 73 OE1 GLN A 8 -7.372 2.453 -5.404 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.438 3.508 -5.316 1.00 0.00 N ATOM 0 H GLN A 8 -7.134 5.192 -9.601 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.574 4.988 -8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.584 2.817 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.236 2.669 -8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.688 4.975 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.897 3.761 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.767 4.139 -5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.237 3.105 -4.401 1.00 0.00 H new ATOM 83 N ALA A 9 -3.049 3.822 -10.026 1.00 0.00 N ATOM 84 CA ALA A 9 -2.004 3.317 -10.903 1.00 0.00 C ATOM 85 C ALA A 9 -0.830 2.862 -10.023 1.00 0.00 C ATOM 86 O ALA A 9 -0.860 3.065 -8.806 1.00 0.00 O ATOM 87 CB ALA A 9 -1.575 4.430 -11.868 1.00 0.00 C ATOM 0 H ALA A 9 -2.675 4.122 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.357 2.474 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.792 4.057 -12.528 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.432 4.745 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.196 5.279 -11.299 1.00 0.00 H new ATOM 93 N GLU A 10 0.221 2.303 -10.632 1.00 0.00 N ATOM 94 CA GLU A 10 1.301 1.570 -9.958 1.00 0.00 C ATOM 95 C GLU A 10 0.711 0.436 -9.107 1.00 0.00 C ATOM 96 O GLU A 10 0.886 0.373 -7.886 1.00 0.00 O ATOM 97 CB GLU A 10 2.236 2.505 -9.162 1.00 0.00 C ATOM 98 CG GLU A 10 2.975 3.542 -10.014 1.00 0.00 C ATOM 99 CD GLU A 10 3.999 2.894 -10.947 1.00 0.00 C ATOM 100 OE1 GLU A 10 5.113 2.577 -10.479 1.00 0.00 O ATOM 101 OE2 GLU A 10 3.726 2.790 -12.167 1.00 0.00 O ATOM 0 H GLU A 10 0.349 2.349 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 10 1.938 1.115 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.649 3.027 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.971 1.898 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.253 4.107 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.479 4.254 -9.361 1.00 0.00 H new ATOM 108 N LEU A 11 -0.017 -0.460 -9.771 1.00 0.00 N ATOM 109 CA LEU A 11 -0.634 -1.644 -9.189 1.00 0.00 C ATOM 110 C LEU A 11 0.000 -2.868 -9.847 1.00 0.00 C ATOM 111 O LEU A 11 0.489 -2.784 -10.975 1.00 0.00 O ATOM 112 CB LEU A 11 -2.154 -1.622 -9.443 1.00 0.00 C ATOM 113 CG LEU A 11 -2.911 -0.441 -8.800 1.00 0.00 C ATOM 114 CD1 LEU A 11 -4.371 -0.448 -9.261 1.00 0.00 C ATOM 115 CD2 LEU A 11 -2.871 -0.493 -7.273 1.00 0.00 C ATOM 0 H LEU A 11 -0.199 -0.374 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.474 -1.672 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.326 -1.600 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.582 -2.553 -9.071 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.414 0.474 -9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.901 0.388 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.410 -0.353 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.843 -1.384 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.417 0.358 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.332 -1.419 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.836 -0.456 -6.935 1.00 0.00 H new ATOM 127 N MET A 12 -0.057 -4.016 -9.176 1.00 0.00 N ATOM 128 CA MET A 12 0.363 -5.298 -9.718 1.00 0.00 C ATOM 129 C MET A 12 -0.760 -6.306 -9.529 1.00 0.00 C ATOM 130 O MET A 12 -1.462 -6.275 -8.521 1.00 0.00 O ATOM 131 CB MET A 12 1.648 -5.798 -9.049 1.00 0.00 C ATOM 132 CG MET A 12 2.847 -4.889 -9.333 1.00 0.00 C ATOM 133 SD MET A 12 4.470 -5.702 -9.268 1.00 0.00 S ATOM 134 CE MET A 12 4.352 -6.663 -7.739 1.00 0.00 C ATOM 0 H MET A 12 -0.405 -4.078 -8.219 1.00 0.00 H new ATOM 0 HA MET A 12 0.578 -5.176 -10.780 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.492 -5.863 -7.972 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.869 -6.806 -9.400 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.720 -4.446 -10.321 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.840 -4.070 -8.613 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.288 -7.196 -7.571 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.161 -5.992 -6.901 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.536 -7.381 -7.823 1.00 0.00 H new ATOM 144 N THR A 13 -0.895 -7.225 -10.478 1.00 0.00 N ATOM 145 CA THR A 13 -1.995 -8.166 -10.587 1.00 0.00 C ATOM 146 C THR A 13 -1.372 -9.559 -10.574 1.00 0.00 C ATOM 147 O THR A 13 -0.632 -9.938 -11.490 1.00 0.00 O ATOM 148 CB THR A 13 -2.795 -7.860 -11.868 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.109 -6.477 -11.957 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.071 -8.688 -12.006 1.00 0.00 C ATOM 0 H THR A 13 -0.208 -7.337 -11.224 1.00 0.00 H new ATOM 0 HA THR A 13 -2.707 -8.093 -9.765 1.00 0.00 H new ATOM 0 HB THR A 13 -2.141 -8.143 -12.693 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.615 -6.309 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.581 -8.419 -12.931 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.817 -9.748 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.727 -8.490 -11.158 1.00 0.00 H new ATOM 158 N LEU A 14 -1.626 -10.306 -9.508 1.00 0.00 N ATOM 159 CA LEU A 14 -1.020 -11.587 -9.164 1.00 0.00 C ATOM 160 C LEU A 14 -2.119 -12.652 -9.139 1.00 0.00 C ATOM 161 O LEU A 14 -3.312 -12.321 -9.158 1.00 0.00 O ATOM 162 CB LEU A 14 -0.328 -11.494 -7.787 1.00 0.00 C ATOM 163 CG LEU A 14 0.623 -10.295 -7.576 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.193 -10.347 -6.156 1.00 0.00 C ATOM 165 CD2 LEU A 14 1.782 -10.258 -8.579 1.00 0.00 C ATOM 0 H LEU A 14 -2.310 -10.012 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.266 -11.854 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.100 -11.457 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.238 -12.412 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 14 0.034 -9.392 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.865 -9.503 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.377 -10.298 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.743 -11.278 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.412 -9.392 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.375 -11.168 -8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.385 -10.188 -9.592 1.00 0.00 H new ATOM 177 N THR A 15 -1.745 -13.929 -9.080 1.00 0.00 N ATOM 178 CA THR A 15 -2.690 -15.012 -8.850 1.00 0.00 C ATOM 179 C THR A 15 -2.132 -15.964 -7.787 1.00 0.00 C ATOM 180 O THR A 15 -0.918 -16.139 -7.677 1.00 0.00 O ATOM 181 CB THR A 15 -2.987 -15.732 -10.176 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.332 -14.829 -11.209 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.175 -16.673 -10.049 1.00 0.00 C ATOM 0 H THR A 15 -0.779 -14.238 -9.191 1.00 0.00 H new ATOM 0 HA THR A 15 -3.633 -14.615 -8.475 1.00 0.00 H new ATOM 0 HB THR A 15 -2.069 -16.270 -10.414 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.511 -15.328 -12.033 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.354 -17.164 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.963 -17.426 -9.289 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.060 -16.105 -9.761 1.00 0.00 H new ATOM 191 N ILE A 16 -3.017 -16.606 -7.023 1.00 0.00 N ATOM 192 CA ILE A 16 -2.681 -17.651 -6.067 1.00 0.00 C ATOM 193 C ILE A 16 -3.727 -18.762 -6.109 1.00 0.00 C ATOM 194 O ILE A 16 -4.914 -18.493 -6.296 1.00 0.00 O ATOM 195 CB ILE A 16 -2.511 -17.057 -4.648 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.559 -16.019 -4.194 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.129 -16.412 -4.527 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.275 -15.496 -2.776 1.00 0.00 C ATOM 0 H ILE A 16 -4.016 -16.404 -7.057 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.724 -18.095 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.649 -17.916 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.568 -15.183 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.551 -16.469 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.009 -15.994 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.360 -17.165 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.032 -15.618 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.037 -14.768 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.292 -16.327 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.294 -15.021 -2.753 1.00 0.00 H new ATOM 210 N VAL A 17 -3.300 -20.008 -5.900 1.00 0.00 N ATOM 211 CA VAL A 17 -4.141 -21.199 -5.897 1.00 0.00 C ATOM 212 C VAL A 17 -4.066 -21.785 -4.496 1.00 0.00 C ATOM 213 O VAL A 17 -2.983 -22.156 -4.045 1.00 0.00 O ATOM 214 CB VAL A 17 -3.649 -22.227 -6.938 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.599 -23.432 -6.998 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.548 -21.633 -8.344 1.00 0.00 C ATOM 0 H VAL A 17 -2.318 -20.220 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.167 -20.944 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.655 -22.535 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.235 -24.146 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.640 -23.912 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.597 -23.095 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.198 -22.397 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.529 -21.278 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.845 -20.800 -8.337 1.00 0.00 H new ATOM 226 N LYS A 18 -5.195 -21.865 -3.792 1.00 0.00 N ATOM 227 CA LYS A 18 -5.251 -22.453 -2.454 1.00 0.00 C ATOM 228 C LYS A 18 -4.708 -23.881 -2.483 1.00 0.00 C ATOM 229 O LYS A 18 -5.178 -24.686 -3.295 1.00 0.00 O ATOM 230 CB LYS A 18 -6.703 -22.459 -1.962 1.00 0.00 C ATOM 231 CG LYS A 18 -6.869 -21.898 -0.551 1.00 0.00 C ATOM 232 CD LYS A 18 -8.310 -21.473 -0.215 1.00 0.00 C ATOM 233 CE LYS A 18 -8.277 -21.000 1.234 1.00 0.00 C ATOM 234 NZ LYS A 18 -9.584 -21.011 1.911 1.00 0.00 N ATOM 0 H LYS A 18 -6.094 -21.525 -4.132 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.638 -21.859 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.314 -21.876 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.082 -23.481 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.545 -22.650 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.210 -21.038 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.648 -20.677 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.002 -22.306 -0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.587 -21.632 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.876 -19.987 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.480 -21.426 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.939 -20.037 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.257 -21.578 1.357 1.00 0.00 H new ATOM 248 N GLY A 19 -3.787 -24.200 -1.575 1.00 0.00 N ATOM 249 CA GLY A 19 -3.206 -25.529 -1.452 1.00 0.00 C ATOM 250 C GLY A 19 -4.166 -26.468 -0.736 1.00 0.00 C ATOM 251 O GLY A 19 -4.900 -27.221 -1.383 1.00 0.00 O ATOM 0 H GLY A 19 -3.421 -23.532 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.973 -25.923 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.267 -25.472 -0.902 1.00 0.00 H new ATOM 255 N ALA A 20 -4.187 -26.419 0.597 1.00 0.00 N ATOM 256 CA ALA A 20 -5.141 -27.132 1.438 1.00 0.00 C ATOM 257 C ALA A 20 -5.271 -26.385 2.766 1.00 0.00 C ATOM 258 O ALA A 20 -4.282 -25.859 3.281 1.00 0.00 O ATOM 259 CB ALA A 20 -4.657 -28.567 1.673 1.00 0.00 C ATOM 0 H ALA A 20 -3.520 -25.865 1.134 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.114 -27.177 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.374 -29.094 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.566 -29.082 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.686 -28.547 2.168 1.00 0.00 H new ATOM 265 N GLN A 21 -6.480 -26.353 3.330 1.00 0.00 N ATOM 266 CA GLN A 21 -6.921 -25.658 4.548 1.00 0.00 C ATOM 267 C GLN A 21 -6.664 -24.146 4.577 1.00 0.00 C ATOM 268 O GLN A 21 -7.106 -23.472 5.510 1.00 0.00 O ATOM 269 CB GLN A 21 -6.370 -26.344 5.806 1.00 0.00 C ATOM 270 CG GLN A 21 -6.796 -27.816 5.912 1.00 0.00 C ATOM 271 CD GLN A 21 -6.248 -28.501 7.162 1.00 0.00 C ATOM 272 OE1 GLN A 21 -5.716 -27.865 8.069 1.00 0.00 O ATOM 273 NE2 GLN A 21 -6.360 -29.816 7.231 1.00 0.00 N ATOM 0 H GLN A 21 -7.254 -26.863 2.905 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.007 -25.745 4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.282 -26.284 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.714 -25.806 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.884 -27.875 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.453 -28.354 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.804 -30.331 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.002 -30.316 8.045 1.00 0.00 H new ATOM 282 N GLY A 22 -6.018 -23.587 3.562 1.00 0.00 N ATOM 283 CA GLY A 22 -5.597 -22.210 3.500 1.00 0.00 C ATOM 284 C GLY A 22 -4.558 -22.081 2.402 1.00 0.00 C ATOM 285 O GLY A 22 -4.243 -23.048 1.703 1.00 0.00 O ATOM 0 H GLY A 22 -5.766 -24.113 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.449 -21.561 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.180 -21.897 4.457 1.00 0.00 H new ATOM 289 N PHE A 23 -4.033 -20.872 2.263 1.00 0.00 N ATOM 290 CA PHE A 23 -2.921 -20.560 1.381 1.00 0.00 C ATOM 291 C PHE A 23 -1.583 -20.655 2.125 1.00 0.00 C ATOM 292 O PHE A 23 -0.541 -20.268 1.592 1.00 0.00 O ATOM 293 CB PHE A 23 -3.100 -19.143 0.842 1.00 0.00 C ATOM 294 CG PHE A 23 -4.351 -18.864 0.042 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.543 -18.501 0.697 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.291 -18.859 -1.363 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.672 -18.151 -0.058 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.406 -18.465 -2.118 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.599 -18.112 -1.455 1.00 0.00 C ATOM 0 H PHE A 23 -4.379 -20.060 2.775 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.910 -21.281 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.078 -18.454 1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.239 -18.908 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.588 -18.492 1.776 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.382 -19.160 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.600 -17.911 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.351 -18.432 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.462 -17.809 -2.029 1.00 0.00 H new ATOM 309 N GLY A 24 -1.588 -21.068 3.398 1.00 0.00 N ATOM 310 CA GLY A 24 -0.421 -21.063 4.269 1.00 0.00 C ATOM 311 C GLY A 24 -0.115 -19.667 4.811 1.00 0.00 C ATOM 312 O GLY A 24 0.020 -19.514 6.026 1.00 0.00 O ATOM 0 H GLY A 24 -2.428 -21.422 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.588 -21.746 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.443 -21.435 3.719 1.00 0.00 H new ATOM 316 N PHE A 25 0.006 -18.663 3.934 1.00 0.00 N ATOM 317 CA PHE A 25 0.463 -17.328 4.296 1.00 0.00 C ATOM 318 C PHE A 25 -0.467 -16.663 5.303 1.00 0.00 C ATOM 319 O PHE A 25 -1.600 -17.092 5.566 1.00 0.00 O ATOM 320 CB PHE A 25 0.724 -16.424 3.070 1.00 0.00 C ATOM 321 CG PHE A 25 -0.477 -15.774 2.403 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.197 -16.500 1.450 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.810 -14.422 2.623 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.231 -15.901 0.711 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.844 -13.813 1.885 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.557 -14.554 0.928 1.00 0.00 C ATOM 0 H PHE A 25 -0.215 -18.762 2.943 1.00 0.00 H new ATOM 0 HA PHE A 25 1.429 -17.462 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.407 -15.632 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.243 -17.019 2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.955 -17.538 1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.269 -13.849 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.774 -16.477 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.089 -12.775 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.351 -14.089 0.363 1.00 0.00 H new ATOM 336 N THR A 26 0.047 -15.580 5.865 1.00 0.00 N ATOM 337 CA THR A 26 -0.604 -14.776 6.867 1.00 0.00 C ATOM 338 C THR A 26 -0.600 -13.328 6.393 1.00 0.00 C ATOM 339 O THR A 26 0.299 -12.909 5.654 1.00 0.00 O ATOM 340 CB THR A 26 0.079 -14.991 8.229 1.00 0.00 C ATOM 341 OG1 THR A 26 1.486 -14.845 8.153 1.00 0.00 O ATOM 342 CG2 THR A 26 -0.169 -16.393 8.799 1.00 0.00 C ATOM 0 H THR A 26 0.972 -15.228 5.618 1.00 0.00 H new ATOM 0 HA THR A 26 -1.645 -15.068 7.008 1.00 0.00 H new ATOM 0 HB THR A 26 -0.361 -14.229 8.873 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.807 -15.207 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.336 -16.489 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.240 -16.547 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.221 -17.141 8.108 1.00 0.00 H new ATOM 350 N ILE A 27 -1.598 -12.564 6.822 1.00 0.00 N ATOM 351 CA ILE A 27 -1.704 -11.138 6.553 1.00 0.00 C ATOM 352 C ILE A 27 -1.717 -10.404 7.886 1.00 0.00 C ATOM 353 O ILE A 27 -1.829 -11.014 8.955 1.00 0.00 O ATOM 354 CB ILE A 27 -2.918 -10.791 5.650 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.281 -11.062 6.314 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.810 -11.530 4.311 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.455 -10.547 5.469 1.00 0.00 C ATOM 0 H ILE A 27 -2.372 -12.928 7.378 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.840 -10.808 5.976 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.878 -9.715 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.396 -12.134 6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.306 -10.586 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.667 -11.279 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.892 -11.232 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.794 -12.605 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.393 -10.762 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.357 -9.471 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.449 -11.042 4.498 1.00 0.00 H new ATOM 369 N ALA A 28 -1.632 -9.085 7.809 1.00 0.00 N ATOM 370 CA ALA A 28 -1.786 -8.178 8.916 1.00 0.00 C ATOM 371 C ALA A 28 -2.626 -6.990 8.476 1.00 0.00 C ATOM 372 O ALA A 28 -2.812 -6.737 7.282 1.00 0.00 O ATOM 373 CB ALA A 28 -0.408 -7.747 9.402 1.00 0.00 C ATOM 0 H ALA A 28 -1.445 -8.604 6.929 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.300 -8.665 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.517 -7.059 10.241 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.156 -8.623 9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.124 -7.249 8.592 1.00 0.00 H new ATOM 379 N ASP A 29 -3.162 -6.285 9.462 1.00 0.00 N ATOM 380 CA ASP A 29 -3.651 -4.923 9.299 1.00 0.00 C ATOM 381 C ASP A 29 -2.417 -4.024 9.196 1.00 0.00 C ATOM 382 O ASP A 29 -1.422 -4.233 9.903 1.00 0.00 O ATOM 383 CB ASP A 29 -4.500 -4.521 10.523 1.00 0.00 C ATOM 384 CG ASP A 29 -6.005 -4.521 10.298 1.00 0.00 C ATOM 385 OD1 ASP A 29 -6.468 -4.219 9.179 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.716 -4.853 11.279 1.00 0.00 O ATOM 0 H ASP A 29 -3.271 -6.647 10.409 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.278 -4.831 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.272 -5.202 11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.197 -3.524 10.843 1.00 0.00 H new ATOM 391 N SER A 30 -2.482 -2.989 8.367 1.00 0.00 N ATOM 392 CA SER A 30 -1.514 -1.898 8.320 1.00 0.00 C ATOM 393 C SER A 30 -2.311 -0.578 8.363 1.00 0.00 C ATOM 394 O SER A 30 -3.549 -0.622 8.348 1.00 0.00 O ATOM 395 CB SER A 30 -0.605 -2.084 7.092 1.00 0.00 C ATOM 396 OG SER A 30 -1.216 -1.572 5.926 1.00 0.00 O ATOM 0 H SER A 30 -3.234 -2.882 7.686 1.00 0.00 H new ATOM 0 HA SER A 30 -0.834 -1.883 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.346 -1.579 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.384 -3.143 6.956 1.00 0.00 H new ATOM 0 HG SER A 30 -2.158 -1.842 5.905 1.00 0.00 H new ATOM 402 N PRO A 31 -1.670 0.604 8.400 1.00 0.00 N ATOM 403 CA PRO A 31 -2.379 1.876 8.362 1.00 0.00 C ATOM 404 C PRO A 31 -3.106 2.093 7.031 1.00 0.00 C ATOM 405 O PRO A 31 -4.021 2.912 6.964 1.00 0.00 O ATOM 406 CB PRO A 31 -1.338 2.968 8.626 1.00 0.00 C ATOM 407 CG PRO A 31 0.025 2.283 8.534 1.00 0.00 C ATOM 408 CD PRO A 31 -0.238 0.797 8.366 1.00 0.00 C ATOM 0 HA PRO A 31 -3.162 1.897 9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.421 3.771 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.484 3.416 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.596 2.672 7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.613 2.472 9.432 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.175 0.438 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.245 0.230 9.162 1.00 0.00 H new ATOM 416 N THR A 32 -2.724 1.371 5.978 1.00 0.00 N ATOM 417 CA THR A 32 -3.165 1.607 4.614 1.00 0.00 C ATOM 418 C THR A 32 -4.112 0.515 4.107 1.00 0.00 C ATOM 419 O THR A 32 -4.542 0.579 2.955 1.00 0.00 O ATOM 420 CB THR A 32 -1.912 1.791 3.738 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.870 0.881 4.057 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.321 3.177 3.963 1.00 0.00 C ATOM 0 H THR A 32 -2.080 0.584 6.059 1.00 0.00 H new ATOM 0 HA THR A 32 -3.765 2.516 4.567 1.00 0.00 H new ATOM 0 HB THR A 32 -2.247 1.629 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.170 0.933 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.435 3.300 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.059 3.934 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.046 3.289 5.012 1.00 0.00 H new ATOM 430 N GLY A 33 -4.478 -0.460 4.943 1.00 0.00 N ATOM 431 CA GLY A 33 -5.229 -1.636 4.530 1.00 0.00 C ATOM 432 C GLY A 33 -4.376 -2.877 4.741 1.00 0.00 C ATOM 433 O GLY A 33 -3.419 -2.849 5.525 1.00 0.00 O ATOM 0 H GLY A 33 -4.255 -0.449 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.152 -1.713 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.513 -1.550 3.481 1.00 0.00 H new ATOM 437 N GLN A 34 -4.740 -3.993 4.119 1.00 0.00 N ATOM 438 CA GLN A 34 -4.147 -5.277 4.489 1.00 0.00 C ATOM 439 C GLN A 34 -2.809 -5.447 3.800 1.00 0.00 C ATOM 440 O GLN A 34 -2.643 -5.044 2.649 1.00 0.00 O ATOM 441 CB GLN A 34 -5.062 -6.461 4.155 1.00 0.00 C ATOM 442 CG GLN A 34 -6.557 -6.207 4.362 1.00 0.00 C ATOM 443 CD GLN A 34 -6.898 -5.298 5.539 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.497 -4.246 5.369 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.426 -5.632 6.721 1.00 0.00 N ATOM 0 H GLN A 34 -5.430 -4.038 3.369 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.008 -5.270 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.898 -6.744 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.766 -7.313 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.965 -5.767 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.057 -7.165 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.929 -6.515 6.841 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.557 -5.008 7.517 1.00 0.00 H new ATOM 454 N ARG A 35 -1.871 -6.099 4.481 1.00 0.00 N ATOM 455 CA ARG A 35 -0.583 -6.459 3.917 1.00 0.00 C ATOM 456 C ARG A 35 -0.297 -7.901 4.211 1.00 0.00 C ATOM 457 O ARG A 35 -0.783 -8.453 5.197 1.00 0.00 O ATOM 458 CB ARG A 35 0.521 -5.594 4.509 1.00 0.00 C ATOM 459 CG ARG A 35 0.388 -4.139 4.075 1.00 0.00 C ATOM 460 CD ARG A 35 1.605 -3.398 4.612 1.00 0.00 C ATOM 461 NE ARG A 35 1.324 -1.965 4.741 1.00 0.00 N ATOM 462 CZ ARG A 35 2.195 -0.984 4.963 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.493 -1.235 5.089 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.738 0.256 5.080 1.00 0.00 N ATOM 0 H ARG A 35 -1.990 -6.393 5.450 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.615 -6.298 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.487 -5.654 5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.492 -5.980 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.340 -4.064 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.532 -3.703 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.887 -3.807 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.453 -3.549 3.944 1.00 0.00 H new ATOM 0 HE ARG A 35 0.347 -1.688 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.837 -2.193 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.146 -0.470 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.738 0.441 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.387 1.025 5.250 1.00 0.00 H new ATOM 478 N VAL A 36 0.555 -8.484 3.391 1.00 0.00 N ATOM 479 CA VAL A 36 1.070 -9.818 3.643 1.00 0.00 C ATOM 480 C VAL A 36 2.080 -9.681 4.776 1.00 0.00 C ATOM 481 O VAL A 36 2.816 -8.691 4.848 1.00 0.00 O ATOM 482 CB VAL A 36 1.649 -10.391 2.343 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.294 -11.767 2.573 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.544 -10.537 1.286 1.00 0.00 C ATOM 0 H VAL A 36 0.908 -8.052 2.537 1.00 0.00 H new ATOM 0 HA VAL A 36 0.304 -10.528 3.953 1.00 0.00 H new ATOM 0 HB VAL A 36 2.413 -9.695 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.694 -12.143 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.102 -11.673 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.544 -12.461 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.969 -10.945 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.229 -11.210 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.106 -9.560 1.080 1.00 0.00 H new ATOM 494 N LYS A 37 2.078 -10.655 5.682 1.00 0.00 N ATOM 495 CA LYS A 37 2.895 -10.678 6.885 1.00 0.00 C ATOM 496 C LYS A 37 4.019 -11.691 6.690 1.00 0.00 C ATOM 497 O LYS A 37 5.183 -11.296 6.673 1.00 0.00 O ATOM 498 CB LYS A 37 1.982 -10.965 8.089 1.00 0.00 C ATOM 499 CG LYS A 37 2.777 -11.169 9.384 1.00 0.00 C ATOM 500 CD LYS A 37 1.923 -11.800 10.484 1.00 0.00 C ATOM 501 CE LYS A 37 2.804 -11.880 11.732 1.00 0.00 C ATOM 502 NZ LYS A 37 2.635 -13.129 12.490 1.00 0.00 N ATOM 0 H LYS A 37 1.484 -11.479 5.592 1.00 0.00 H new ATOM 0 HA LYS A 37 3.376 -9.720 7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.285 -10.137 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.386 -11.855 7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.639 -11.805 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.162 -10.209 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.034 -11.200 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.581 -12.791 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.849 -11.782 11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.576 -11.036 12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.260 -13.118 13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.646 -13.215 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.879 -13.938 11.884 1.00 0.00 H new ATOM 516 N GLN A 38 3.673 -12.973 6.554 1.00 0.00 N ATOM 517 CA GLN A 38 4.621 -14.065 6.384 1.00 0.00 C ATOM 518 C GLN A 38 4.009 -15.063 5.410 1.00 0.00 C ATOM 519 O GLN A 38 2.842 -15.429 5.584 1.00 0.00 O ATOM 520 CB GLN A 38 4.915 -14.738 7.738 1.00 0.00 C ATOM 521 CG GLN A 38 5.860 -15.938 7.629 1.00 0.00 C ATOM 522 CD GLN A 38 7.258 -15.560 7.151 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.899 -14.676 7.714 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.754 -16.227 6.128 1.00 0.00 N ATOM 0 H GLN A 38 2.701 -13.283 6.560 1.00 0.00 H new ATOM 0 HA GLN A 38 5.567 -13.690 5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.351 -14.002 8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.976 -15.064 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.935 -16.423 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.433 -16.668 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.201 -16.956 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.691 -16.014 5.786 1.00 0.00 H new ATOM 533 N ILE A 39 4.794 -15.530 4.443 1.00 0.00 N ATOM 534 CA ILE A 39 4.433 -16.567 3.474 1.00 0.00 C ATOM 535 C ILE A 39 5.024 -17.885 3.977 1.00 0.00 C ATOM 536 O ILE A 39 6.167 -17.887 4.440 1.00 0.00 O ATOM 537 CB ILE A 39 4.951 -16.171 2.069 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.365 -14.796 1.667 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.580 -17.241 1.020 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.885 -14.253 0.335 1.00 0.00 C ATOM 0 H ILE A 39 5.743 -15.182 4.305 1.00 0.00 H new ATOM 0 HA ILE A 39 3.353 -16.681 3.381 1.00 0.00 H new ATOM 0 HB ILE A 39 6.038 -16.102 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.280 -14.879 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.591 -14.075 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.956 -16.938 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.026 -18.195 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.496 -17.346 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.423 -13.287 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.967 -14.134 0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.636 -14.951 -0.465 1.00 0.00 H new ATOM 552 N LEU A 40 4.264 -18.987 3.915 1.00 0.00 N ATOM 553 CA LEU A 40 4.666 -20.284 4.471 1.00 0.00 C ATOM 554 C LEU A 40 4.669 -21.363 3.392 1.00 0.00 C ATOM 555 O LEU A 40 5.629 -22.120 3.267 1.00 0.00 O ATOM 556 CB LEU A 40 3.722 -20.719 5.609 1.00 0.00 C ATOM 557 CG LEU A 40 3.513 -19.714 6.755 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.611 -20.356 7.811 1.00 0.00 C ATOM 559 CD2 LEU A 40 4.819 -19.297 7.426 1.00 0.00 C ATOM 0 H LEU A 40 3.345 -19.002 3.473 1.00 0.00 H new ATOM 0 HA LEU A 40 5.674 -20.164 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.749 -20.948 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.107 -21.646 6.035 1.00 0.00 H new ATOM 0 HG LEU A 40 3.063 -18.819 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.454 -19.655 8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.651 -20.611 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.085 -21.260 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.607 -18.588 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.311 -20.176 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.473 -18.829 6.690 1.00 0.00 H new ATOM 571 N ASP A 41 3.575 -21.471 2.645 1.00 0.00 N ATOM 572 CA ASP A 41 3.409 -22.364 1.509 1.00 0.00 C ATOM 573 C ASP A 41 3.792 -21.551 0.271 1.00 0.00 C ATOM 574 O ASP A 41 3.022 -20.712 -0.208 1.00 0.00 O ATOM 575 CB ASP A 41 1.969 -22.891 1.466 1.00 0.00 C ATOM 576 CG ASP A 41 1.823 -24.055 0.482 1.00 0.00 C ATOM 577 OD1 ASP A 41 2.426 -24.004 -0.616 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.114 -25.028 0.827 1.00 0.00 O ATOM 0 H ASP A 41 2.742 -20.911 2.826 1.00 0.00 H new ATOM 0 HA ASP A 41 4.043 -23.249 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.670 -23.217 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.294 -22.084 1.179 1.00 0.00 H new ATOM 583 N ILE A 42 5.047 -21.691 -0.141 1.00 0.00 N ATOM 584 CA ILE A 42 5.705 -20.908 -1.173 1.00 0.00 C ATOM 585 C ILE A 42 5.047 -21.175 -2.533 1.00 0.00 C ATOM 586 O ILE A 42 4.606 -20.230 -3.186 1.00 0.00 O ATOM 587 CB ILE A 42 7.218 -21.223 -1.122 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.814 -20.649 0.190 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.951 -20.666 -2.351 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.256 -21.085 0.460 1.00 0.00 C ATOM 0 H ILE A 42 5.665 -22.395 0.261 1.00 0.00 H new ATOM 0 HA ILE A 42 5.592 -19.837 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 42 7.353 -22.305 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.776 -19.560 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.189 -20.959 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.012 -20.906 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.536 -21.112 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.826 -19.584 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.601 -20.643 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.300 -22.172 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.896 -20.752 -0.357 1.00 0.00 H new ATOM 602 N GLN A 43 4.944 -22.439 -2.960 1.00 0.00 N ATOM 603 CA GLN A 43 4.246 -22.809 -4.192 1.00 0.00 C ATOM 604 C GLN A 43 2.778 -22.391 -4.138 1.00 0.00 C ATOM 605 O GLN A 43 2.174 -22.130 -5.181 1.00 0.00 O ATOM 606 CB GLN A 43 4.298 -24.328 -4.407 1.00 0.00 C ATOM 607 CG GLN A 43 5.517 -24.802 -5.198 1.00 0.00 C ATOM 608 CD GLN A 43 5.317 -26.239 -5.675 1.00 0.00 C ATOM 609 OE1 GLN A 43 4.828 -27.101 -4.948 1.00 0.00 O ATOM 610 NE2 GLN A 43 5.661 -26.529 -6.916 1.00 0.00 N ATOM 0 H GLN A 43 5.343 -23.233 -2.459 1.00 0.00 H new ATOM 0 HA GLN A 43 4.747 -22.294 -5.012 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.293 -24.823 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.394 -24.642 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.680 -24.147 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.409 -24.740 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.066 -25.809 -7.514 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.521 -27.473 -7.277 1.00 0.00 H new ATOM 619 N GLY A 44 2.193 -22.325 -2.943 1.00 0.00 N ATOM 620 CA GLY A 44 0.847 -21.842 -2.743 1.00 0.00 C ATOM 621 C GLY A 44 0.711 -20.359 -3.068 1.00 0.00 C ATOM 622 O GLY A 44 -0.403 -19.935 -3.385 1.00 0.00 O ATOM 0 H GLY A 44 2.656 -22.612 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.161 -22.413 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.552 -22.014 -1.708 1.00 0.00 H new ATOM 626 N CYS A 45 1.785 -19.558 -2.981 1.00 0.00 N ATOM 627 CA CYS A 45 1.737 -18.127 -3.273 1.00 0.00 C ATOM 628 C CYS A 45 2.981 -17.642 -4.032 1.00 0.00 C ATOM 629 O CYS A 45 3.829 -16.983 -3.423 1.00 0.00 O ATOM 630 CB CYS A 45 1.463 -17.287 -2.008 1.00 0.00 C ATOM 631 SG CYS A 45 0.207 -18.060 -0.977 1.00 0.00 S ATOM 0 H CYS A 45 2.709 -19.890 -2.705 1.00 0.00 H new ATOM 0 HA CYS A 45 0.890 -17.975 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.385 -17.171 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.138 -16.287 -2.295 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.415 -17.146 -0.293 1.00 0.00 H new ATOM 637 N PRO A 46 3.096 -17.922 -5.343 1.00 0.00 N ATOM 638 CA PRO A 46 4.123 -17.336 -6.196 1.00 0.00 C ATOM 639 C PRO A 46 3.806 -15.860 -6.470 1.00 0.00 C ATOM 640 O PRO A 46 2.642 -15.448 -6.432 1.00 0.00 O ATOM 641 CB PRO A 46 4.079 -18.162 -7.485 1.00 0.00 C ATOM 642 CG PRO A 46 2.617 -18.584 -7.589 1.00 0.00 C ATOM 643 CD PRO A 46 2.201 -18.758 -6.131 1.00 0.00 C ATOM 0 HA PRO A 46 5.112 -17.358 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.389 -17.574 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.743 -19.025 -7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.014 -17.828 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.504 -19.510 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.163 -18.459 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.278 -19.802 -5.828 1.00 0.00 H new ATOM 651 N GLY A 47 4.831 -15.061 -6.768 1.00 0.00 N ATOM 652 CA GLY A 47 4.722 -13.625 -7.023 1.00 0.00 C ATOM 653 C GLY A 47 4.578 -12.821 -5.732 1.00 0.00 C ATOM 654 O GLY A 47 5.259 -11.806 -5.561 1.00 0.00 O ATOM 0 H GLY A 47 5.788 -15.406 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.605 -13.285 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.862 -13.436 -7.665 1.00 0.00 H new ATOM 658 N LEU A 48 3.715 -13.296 -4.831 1.00 0.00 N ATOM 659 CA LEU A 48 3.403 -12.726 -3.529 1.00 0.00 C ATOM 660 C LEU A 48 4.695 -12.471 -2.749 1.00 0.00 C ATOM 661 O LEU A 48 5.552 -13.358 -2.661 1.00 0.00 O ATOM 662 CB LEU A 48 2.497 -13.718 -2.770 1.00 0.00 C ATOM 663 CG LEU A 48 1.708 -13.050 -1.628 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.469 -12.357 -2.201 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.221 -14.069 -0.589 1.00 0.00 C ATOM 0 H LEU A 48 3.182 -14.147 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 48 2.886 -11.774 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.798 -14.174 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.109 -14.522 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 48 2.383 -12.342 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.090 -11.884 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.777 -11.599 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.163 -13.094 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.670 -13.552 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.569 -14.797 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.078 -14.583 -0.154 1.00 0.00 H new ATOM 677 N CYS A 49 4.833 -11.281 -2.174 1.00 0.00 N ATOM 678 CA CYS A 49 5.916 -10.906 -1.278 1.00 0.00 C ATOM 679 C CYS A 49 5.323 -10.453 0.061 1.00 0.00 C ATOM 680 O CYS A 49 4.129 -10.609 0.319 1.00 0.00 O ATOM 681 CB CYS A 49 6.791 -9.832 -1.943 1.00 0.00 C ATOM 682 SG CYS A 49 7.564 -10.495 -3.440 1.00 0.00 S ATOM 0 H CYS A 49 4.167 -10.524 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 49 6.566 -11.758 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.184 -8.962 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.559 -9.496 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 49 6.648 -10.987 -4.220 1.00 0.00 H new ATOM 688 N GLU A 50 6.166 -9.942 0.958 1.00 0.00 N ATOM 689 CA GLU A 50 5.783 -9.593 2.319 1.00 0.00 C ATOM 690 C GLU A 50 5.753 -8.072 2.436 1.00 0.00 C ATOM 691 O GLU A 50 6.789 -7.399 2.472 1.00 0.00 O ATOM 692 CB GLU A 50 6.721 -10.292 3.311 1.00 0.00 C ATOM 693 CG GLU A 50 6.391 -11.799 3.338 1.00 0.00 C ATOM 694 CD GLU A 50 7.469 -12.687 3.953 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.645 -12.260 4.041 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.145 -13.853 4.268 1.00 0.00 O ATOM 0 H GLU A 50 7.148 -9.757 0.753 1.00 0.00 H new ATOM 0 HA GLU A 50 4.782 -9.946 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.760 -10.139 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.604 -9.863 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.464 -11.942 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.206 -12.133 2.317 1.00 0.00 H new ATOM 703 N GLY A 51 4.543 -7.518 2.458 1.00 0.00 N ATOM 704 CA GLY A 51 4.256 -6.087 2.474 1.00 0.00 C ATOM 705 C GLY A 51 3.122 -5.729 1.516 1.00 0.00 C ATOM 706 O GLY A 51 2.550 -4.651 1.649 1.00 0.00 O ATOM 0 H GLY A 51 3.694 -8.084 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.989 -5.780 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.153 -5.533 2.199 1.00 0.00 H new ATOM 710 N ASP A 52 2.785 -6.640 0.598 1.00 0.00 N ATOM 711 CA ASP A 52 1.887 -6.488 -0.546 1.00 0.00 C ATOM 712 C ASP A 52 0.547 -5.906 -0.105 1.00 0.00 C ATOM 713 O ASP A 52 -0.232 -6.594 0.557 1.00 0.00 O ATOM 714 CB ASP A 52 1.690 -7.838 -1.273 1.00 0.00 C ATOM 715 CG ASP A 52 2.966 -8.458 -1.844 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.058 -8.166 -1.308 1.00 0.00 O ATOM 717 OD2 ASP A 52 2.903 -9.210 -2.842 1.00 0.00 O ATOM 0 H ASP A 52 3.168 -7.584 0.642 1.00 0.00 H new ATOM 0 HA ASP A 52 2.345 -5.791 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.240 -8.546 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.978 -7.695 -2.086 1.00 0.00 H new ATOM 722 N LEU A 53 0.315 -4.625 -0.407 1.00 0.00 N ATOM 723 CA LEU A 53 -0.860 -3.864 0.009 1.00 0.00 C ATOM 724 C LEU A 53 -2.059 -4.295 -0.834 1.00 0.00 C ATOM 725 O LEU A 53 -2.161 -3.905 -1.994 1.00 0.00 O ATOM 726 CB LEU A 53 -0.568 -2.354 -0.117 1.00 0.00 C ATOM 727 CG LEU A 53 -1.510 -1.402 0.649 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.951 -1.368 0.145 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.513 -1.680 2.156 1.00 0.00 C ATOM 0 H LEU A 53 0.964 -4.073 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.098 -4.063 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.451 -2.174 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.600 -2.088 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.085 -0.418 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.531 -0.670 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.965 -1.046 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.387 -2.364 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.190 -0.985 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.845 -2.702 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.506 -1.550 2.552 1.00 0.00 H new ATOM 741 N ILE A 54 -2.931 -5.134 -0.285 1.00 0.00 N ATOM 742 CA ILE A 54 -4.082 -5.750 -0.949 1.00 0.00 C ATOM 743 C ILE A 54 -5.097 -4.665 -1.355 1.00 0.00 C ATOM 744 O ILE A 54 -5.489 -3.855 -0.518 1.00 0.00 O ATOM 745 CB ILE A 54 -4.649 -6.816 0.027 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.638 -7.985 0.152 1.00 0.00 C ATOM 747 CG2 ILE A 54 -6.040 -7.339 -0.347 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.028 -9.110 1.120 1.00 0.00 C ATOM 0 H ILE A 54 -2.852 -5.421 0.691 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.811 -6.249 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.782 -6.320 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.490 -8.419 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.678 -7.577 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.360 -8.079 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.749 -6.511 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.002 -7.800 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.248 -9.872 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.144 -8.702 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.969 -9.557 0.799 1.00 0.00 H new ATOM 760 N VAL A 55 -5.556 -4.659 -2.614 1.00 0.00 N ATOM 761 CA VAL A 55 -6.522 -3.696 -3.169 1.00 0.00 C ATOM 762 C VAL A 55 -7.764 -4.423 -3.685 1.00 0.00 C ATOM 763 O VAL A 55 -8.891 -3.977 -3.431 1.00 0.00 O ATOM 764 CB VAL A 55 -5.854 -2.861 -4.286 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.852 -1.949 -5.016 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.723 -2.000 -3.713 1.00 0.00 C ATOM 0 H VAL A 55 -5.254 -5.350 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.840 -3.015 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.455 -3.575 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.331 -1.385 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.633 -2.557 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.301 -1.257 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.265 -1.420 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.127 -1.323 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.971 -2.644 -3.256 1.00 0.00 H new ATOM 776 N GLU A 56 -7.575 -5.545 -4.381 1.00 0.00 N ATOM 777 CA GLU A 56 -8.657 -6.399 -4.859 1.00 0.00 C ATOM 778 C GLU A 56 -8.337 -7.849 -4.542 1.00 0.00 C ATOM 779 O GLU A 56 -7.167 -8.249 -4.560 1.00 0.00 O ATOM 780 CB GLU A 56 -8.871 -6.253 -6.370 1.00 0.00 C ATOM 781 CG GLU A 56 -9.571 -4.953 -6.738 1.00 0.00 C ATOM 782 CD GLU A 56 -9.595 -4.766 -8.255 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.005 -5.701 -8.981 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.182 -3.677 -8.727 1.00 0.00 O ATOM 0 H GLU A 56 -6.648 -5.890 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.572 -6.090 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.907 -6.298 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.461 -7.095 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.590 -4.960 -6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.058 -4.112 -6.271 1.00 0.00 H new ATOM 791 N ILE A 57 -9.386 -8.634 -4.319 1.00 0.00 N ATOM 792 CA ILE A 57 -9.372 -10.086 -4.338 1.00 0.00 C ATOM 793 C ILE A 57 -10.552 -10.453 -5.231 1.00 0.00 C ATOM 794 O ILE A 57 -11.665 -9.988 -4.986 1.00 0.00 O ATOM 795 CB ILE A 57 -9.503 -10.686 -2.926 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.293 -10.324 -2.045 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.658 -12.219 -3.023 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.628 -10.398 -0.561 1.00 0.00 C ATOM 0 H ILE A 57 -10.310 -8.254 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.430 -10.487 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.390 -10.262 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.468 -11.002 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.953 -9.318 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.750 -12.639 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.551 -12.459 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.783 -12.643 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.747 -10.135 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.435 -9.701 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.942 -11.411 -0.309 1.00 0.00 H new ATOM 810 N ASN A 58 -10.317 -11.279 -6.249 1.00 0.00 N ATOM 811 CA ASN A 58 -11.317 -11.764 -7.202 1.00 0.00 C ATOM 812 C ASN A 58 -12.279 -10.651 -7.653 1.00 0.00 C ATOM 813 O ASN A 58 -13.492 -10.768 -7.447 1.00 0.00 O ATOM 814 CB ASN A 58 -12.098 -12.961 -6.621 1.00 0.00 C ATOM 815 CG ASN A 58 -11.364 -14.286 -6.623 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.416 -14.512 -7.376 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.825 -15.214 -5.807 1.00 0.00 N ATOM 0 H ASN A 58 -9.385 -11.645 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.777 -12.100 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.380 -12.724 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.022 -13.078 -7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.395 -16.139 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.611 -15.007 -5.191 1.00 0.00 H new ATOM 824 N GLN A 59 -11.757 -9.564 -8.238 1.00 0.00 N ATOM 825 CA GLN A 59 -12.478 -8.395 -8.766 1.00 0.00 C ATOM 826 C GLN A 59 -13.175 -7.534 -7.706 1.00 0.00 C ATOM 827 O GLN A 59 -13.498 -6.379 -7.981 1.00 0.00 O ATOM 828 CB GLN A 59 -13.479 -8.810 -9.867 1.00 0.00 C ATOM 829 CG GLN A 59 -12.932 -8.651 -11.285 1.00 0.00 C ATOM 830 CD GLN A 59 -14.028 -8.978 -12.286 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.108 -10.078 -12.824 1.00 0.00 O ATOM 832 NE2 GLN A 59 -14.946 -8.055 -12.520 1.00 0.00 N ATOM 0 H GLN A 59 -10.749 -9.471 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.702 -7.760 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.766 -9.850 -9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.385 -8.212 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.576 -7.632 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.078 -9.312 -11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -14.877 -7.142 -12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -15.723 -8.257 -13.149 1.00 0.00 H new ATOM 841 N GLN A 60 -13.415 -8.056 -6.509 1.00 0.00 N ATOM 842 CA GLN A 60 -14.075 -7.361 -5.431 1.00 0.00 C ATOM 843 C GLN A 60 -13.049 -6.410 -4.843 1.00 0.00 C ATOM 844 O GLN A 60 -11.887 -6.771 -4.621 1.00 0.00 O ATOM 845 CB GLN A 60 -14.626 -8.407 -4.456 1.00 0.00 C ATOM 846 CG GLN A 60 -14.938 -7.900 -3.046 1.00 0.00 C ATOM 847 CD GLN A 60 -15.610 -8.933 -2.134 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.866 -8.640 -0.970 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.888 -10.153 -2.588 1.00 0.00 N ATOM 0 H GLN A 60 -13.143 -9.008 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.934 -6.764 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.537 -8.828 -4.881 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.905 -9.220 -4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.010 -7.570 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.585 -7.026 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.676 -10.398 -3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.313 -10.843 -1.969 1.00 0.00 H new ATOM 858 N ASN A 61 -13.471 -5.167 -4.650 1.00 0.00 N ATOM 859 CA ASN A 61 -12.615 -4.112 -4.143 1.00 0.00 C ATOM 860 C ASN A 61 -12.568 -4.241 -2.629 1.00 0.00 C ATOM 861 O ASN A 61 -13.623 -4.273 -1.995 1.00 0.00 O ATOM 862 CB ASN A 61 -13.201 -2.760 -4.549 1.00 0.00 C ATOM 863 CG ASN A 61 -12.212 -1.603 -4.600 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.618 -0.513 -4.980 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.928 -1.769 -4.311 1.00 0.00 N ATOM 0 H ASN A 61 -14.426 -4.864 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.607 -4.189 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.662 -2.864 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.996 -2.504 -3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.279 -0.988 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.590 -2.678 -3.994 1.00 0.00 H new ATOM 872 N VAL A 62 -11.377 -4.307 -2.038 1.00 0.00 N ATOM 873 CA VAL A 62 -11.211 -4.615 -0.618 1.00 0.00 C ATOM 874 C VAL A 62 -10.415 -3.539 0.135 1.00 0.00 C ATOM 875 O VAL A 62 -10.105 -3.718 1.313 1.00 0.00 O ATOM 876 CB VAL A 62 -10.662 -6.046 -0.440 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.573 -7.111 -1.069 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.273 -6.211 -1.058 1.00 0.00 C ATOM 0 H VAL A 62 -10.498 -4.148 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.193 -4.594 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.615 -6.193 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.139 -8.099 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.557 -7.070 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.671 -6.921 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.927 -7.234 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.322 -5.997 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.578 -5.520 -0.581 1.00 0.00 H new ATOM 888 N GLN A 63 -10.115 -2.397 -0.500 1.00 0.00 N ATOM 889 CA GLN A 63 -9.521 -1.229 0.157 1.00 0.00 C ATOM 890 C GLN A 63 -10.385 -0.666 1.298 1.00 0.00 C ATOM 891 O GLN A 63 -9.893 0.154 2.078 1.00 0.00 O ATOM 892 CB GLN A 63 -9.238 -0.140 -0.895 1.00 0.00 C ATOM 893 CG GLN A 63 -7.802 -0.180 -1.434 1.00 0.00 C ATOM 894 CD GLN A 63 -6.888 0.906 -0.854 1.00 0.00 C ATOM 895 OE1 GLN A 63 -6.926 2.059 -1.289 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.010 0.584 0.077 1.00 0.00 N ATOM 0 H GLN A 63 -10.281 -2.259 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.590 -1.557 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.934 -0.256 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.427 0.839 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.371 -1.157 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.829 -0.077 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.976 -0.369 0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.365 1.288 0.435 1.00 0.00 H new ATOM 905 N ASN A 64 -11.655 -1.065 1.416 1.00 0.00 N ATOM 906 CA ASN A 64 -12.596 -0.583 2.425 1.00 0.00 C ATOM 907 C ASN A 64 -13.252 -1.782 3.111 1.00 0.00 C ATOM 908 O ASN A 64 -14.460 -1.770 3.367 1.00 0.00 O ATOM 909 CB ASN A 64 -13.615 0.386 1.795 1.00 0.00 C ATOM 910 CG ASN A 64 -12.938 1.515 1.037 1.00 0.00 C ATOM 911 OD1 ASN A 64 -12.644 1.409 -0.151 1.00 0.00 O ATOM 912 ND2 ASN A 64 -12.614 2.605 1.697 1.00 0.00 N ATOM 0 H ASN A 64 -12.068 -1.756 0.789 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.071 -0.012 3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -14.267 -0.165 1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.248 0.804 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.120 3.360 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.857 2.695 2.683 1.00 0.00 H new ATOM 919 N LEU A 65 -12.477 -2.843 3.358 1.00 0.00 N ATOM 920 CA LEU A 65 -12.833 -4.009 4.154 1.00 0.00 C ATOM 921 C LEU A 65 -11.832 -4.143 5.299 1.00 0.00 C ATOM 922 O LEU A 65 -10.650 -3.857 5.114 1.00 0.00 O ATOM 923 CB LEU A 65 -12.777 -5.279 3.293 1.00 0.00 C ATOM 924 CG LEU A 65 -13.866 -5.441 2.224 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.825 -6.875 1.705 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.269 -5.165 2.747 1.00 0.00 C ATOM 0 H LEU A 65 -11.531 -2.909 2.983 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.845 -3.886 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.807 -5.310 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.823 -6.142 3.958 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.659 -4.711 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.593 -7.008 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.846 -7.077 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.007 -7.565 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.990 -5.297 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.498 -5.858 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.324 -4.142 3.119 1.00 0.00 H new ATOM 938 N SER A 66 -12.300 -4.621 6.453 1.00 0.00 N ATOM 939 CA SER A 66 -11.499 -4.842 7.656 1.00 0.00 C ATOM 940 C SER A 66 -10.667 -6.113 7.486 1.00 0.00 C ATOM 941 O SER A 66 -11.145 -7.003 6.787 1.00 0.00 O ATOM 942 CB SER A 66 -12.446 -5.046 8.851 1.00 0.00 C ATOM 943 OG SER A 66 -13.639 -4.285 8.736 1.00 0.00 O ATOM 0 H SER A 66 -13.280 -4.873 6.579 1.00 0.00 H new ATOM 0 HA SER A 66 -10.846 -3.985 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.700 -6.103 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.930 -4.770 9.771 1.00 0.00 H new ATOM 0 HG SER A 66 -14.208 -4.449 9.517 1.00 0.00 H new ATOM 949 N HIS A 67 -9.534 -6.280 8.191 1.00 0.00 N ATOM 950 CA HIS A 67 -8.689 -7.493 8.201 1.00 0.00 C ATOM 951 C HIS A 67 -9.494 -8.772 8.431 1.00 0.00 C ATOM 952 O HIS A 67 -9.086 -9.823 7.946 1.00 0.00 O ATOM 953 CB HIS A 67 -7.599 -7.366 9.284 1.00 0.00 C ATOM 954 CG HIS A 67 -6.787 -8.607 9.557 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.444 -8.739 9.287 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.209 -9.749 10.192 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.074 -9.951 9.728 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.104 -10.599 10.291 1.00 0.00 N ATOM 0 H HIS A 67 -9.165 -5.545 8.795 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.233 -7.570 7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.917 -6.567 8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.074 -7.056 10.214 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.208 -9.952 10.548 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.075 -10.353 9.641 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.085 -11.529 10.709 1.00 0.00 H new ATOM 966 N THR A 68 -10.619 -8.733 9.131 1.00 0.00 N ATOM 967 CA THR A 68 -11.410 -9.930 9.333 1.00 0.00 C ATOM 968 C THR A 68 -12.172 -10.336 8.062 1.00 0.00 C ATOM 969 O THR A 68 -12.347 -11.518 7.807 1.00 0.00 O ATOM 970 CB THR A 68 -12.311 -9.680 10.547 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.543 -9.115 11.603 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.862 -10.997 11.052 1.00 0.00 C ATOM 0 H THR A 68 -10.999 -7.891 9.564 1.00 0.00 H new ATOM 0 HA THR A 68 -10.772 -10.789 9.540 1.00 0.00 H new ATOM 0 HB THR A 68 -13.117 -9.010 10.248 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.121 -8.954 12.378 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.502 -10.816 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.443 -11.475 10.263 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.038 -11.649 11.342 1.00 0.00 H new ATOM 980 N GLU A 69 -12.572 -9.386 7.221 1.00 0.00 N ATOM 981 CA GLU A 69 -13.437 -9.601 6.065 1.00 0.00 C ATOM 982 C GLU A 69 -12.640 -10.184 4.900 1.00 0.00 C ATOM 983 O GLU A 69 -13.004 -11.181 4.299 1.00 0.00 O ATOM 984 CB GLU A 69 -14.050 -8.243 5.687 1.00 0.00 C ATOM 985 CG GLU A 69 -14.894 -7.631 6.812 1.00 0.00 C ATOM 986 CD GLU A 69 -16.073 -8.520 7.237 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.512 -9.401 6.462 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.505 -8.419 8.411 1.00 0.00 O ATOM 0 H GLU A 69 -12.293 -8.411 7.330 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.225 -10.315 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.250 -7.551 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.671 -8.366 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.256 -7.447 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.276 -6.664 6.486 1.00 0.00 H new ATOM 995 N VAL A 70 -11.499 -9.584 4.615 1.00 0.00 N ATOM 996 CA VAL A 70 -10.412 -9.991 3.754 1.00 0.00 C ATOM 997 C VAL A 70 -9.888 -11.378 4.122 1.00 0.00 C ATOM 998 O VAL A 70 -9.563 -12.162 3.233 1.00 0.00 O ATOM 999 CB VAL A 70 -9.386 -8.841 3.905 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -9.814 -7.652 3.042 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.116 -8.396 5.305 1.00 0.00 C ATOM 0 H VAL A 70 -11.290 -8.681 5.041 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.695 -10.121 2.710 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.438 -9.255 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.090 -6.844 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.861 -7.959 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.796 -7.304 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.384 -7.588 5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.041 -8.042 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.725 -9.233 5.884 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.822 -11.710 5.408 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.549 -13.070 5.873 1.00 0.00 C ATOM 1013 C VAL A 71 -10.705 -13.981 5.507 1.00 0.00 C ATOM 1014 O VAL A 71 -10.474 -15.084 5.016 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.335 -13.020 7.405 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.615 -14.295 8.216 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -7.896 -12.594 7.626 1.00 0.00 C ATOM 0 H VAL A 71 -9.957 -11.039 6.164 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.653 -13.469 5.397 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.085 -12.326 7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.420 -14.105 9.272 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.657 -14.587 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.966 -15.098 7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.692 -12.543 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.227 -13.319 7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.734 -11.613 7.178 1.00 0.00 H new ATOM 1027 N ASP A 72 -11.919 -13.531 5.781 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.146 -14.307 5.611 1.00 0.00 C ATOM 1029 C ASP A 72 -13.378 -14.686 4.151 1.00 0.00 C ATOM 1030 O ASP A 72 -13.656 -15.842 3.854 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.345 -13.560 6.185 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.508 -14.519 6.360 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.445 -15.366 7.284 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.513 -14.378 5.637 1.00 0.00 O ATOM 0 H ASP A 72 -12.087 -12.590 6.138 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.027 -15.236 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.082 -13.113 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.630 -12.745 5.520 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.148 -13.748 3.236 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.089 -13.946 1.796 1.00 0.00 C ATOM 1041 C ILE A 73 -12.100 -15.067 1.492 1.00 0.00 C ATOM 1042 O ILE A 73 -12.482 -16.072 0.896 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.702 -12.602 1.142 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -13.904 -11.637 1.212 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.223 -12.747 -0.314 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.481 -10.173 1.127 1.00 0.00 C ATOM 0 H ILE A 73 -12.989 -12.775 3.498 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.051 -14.251 1.385 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.857 -12.203 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.594 -11.861 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.445 -11.802 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.967 -11.765 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.344 -13.391 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.018 -13.187 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.364 -9.536 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.813 -9.939 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.964 -9.998 0.184 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.834 -14.923 1.909 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.817 -15.929 1.621 1.00 0.00 C ATOM 1060 C LEU A 74 -10.200 -17.297 2.206 1.00 0.00 C ATOM 1061 O LEU A 74 -9.880 -18.331 1.618 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.446 -15.497 2.155 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.777 -14.271 1.524 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.519 -13.943 2.334 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.380 -14.510 0.076 1.00 0.00 C ATOM 0 H LEU A 74 -10.497 -14.122 2.443 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.756 -16.023 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.550 -15.307 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.765 -16.341 2.046 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.492 -13.448 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.025 -13.072 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.796 -13.729 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.839 -14.794 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.910 -13.612 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.677 -15.341 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.268 -14.748 -0.510 1.00 0.00 H new ATOM 1077 N LYS A 75 -10.884 -17.337 3.354 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.414 -18.566 3.934 1.00 0.00 C ATOM 1079 C LYS A 75 -12.477 -19.145 3.010 1.00 0.00 C ATOM 1080 O LYS A 75 -12.409 -20.342 2.730 1.00 0.00 O ATOM 1081 CB LYS A 75 -11.981 -18.328 5.342 1.00 0.00 C ATOM 1082 CG LYS A 75 -10.891 -18.122 6.404 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.392 -17.328 7.618 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.644 -17.902 8.295 1.00 0.00 C ATOM 1085 NZ LYS A 75 -12.365 -19.151 9.027 1.00 0.00 N ATOM 0 H LYS A 75 -11.085 -16.505 3.909 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.598 -19.282 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.631 -17.453 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.601 -19.179 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.524 -19.093 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.046 -17.599 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.591 -17.275 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.603 -16.306 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.052 -17.163 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.408 -18.089 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.241 -19.499 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.001 -19.867 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.656 -18.969 9.766 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.413 -18.338 2.516 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.523 -18.785 1.679 1.00 0.00 C ATOM 1101 C ASP A 76 -14.056 -19.315 0.321 1.00 0.00 C ATOM 1102 O ASP A 76 -14.685 -20.229 -0.215 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.557 -17.666 1.487 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.948 -18.268 1.297 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.538 -18.672 2.328 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.453 -18.377 0.157 1.00 0.00 O ATOM 0 H ASP A 76 -13.421 -17.333 2.690 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.995 -19.614 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.553 -17.004 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.293 -17.060 0.621 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.924 -18.810 -0.194 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.367 -19.156 -1.501 1.00 0.00 C ATOM 1113 C CYS A 77 -12.254 -20.677 -1.706 1.00 0.00 C ATOM 1114 O CYS A 77 -11.766 -21.383 -0.812 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.981 -18.530 -1.655 1.00 0.00 C ATOM 1116 SG CYS A 77 -11.079 -16.736 -1.898 1.00 0.00 S ATOM 0 H CYS A 77 -12.356 -18.128 0.308 1.00 0.00 H new ATOM 0 HA CYS A 77 -13.051 -18.765 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.384 -18.745 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.468 -18.985 -2.503 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.638 -16.187 -0.861 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.641 -21.187 -2.887 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.466 -22.578 -3.275 1.00 0.00 C ATOM 1124 C PRO A 78 -10.993 -22.948 -3.289 1.00 0.00 C ATOM 1125 O PRO A 78 -10.110 -22.125 -3.560 1.00 0.00 O ATOM 1126 CB PRO A 78 -13.073 -22.731 -4.674 1.00 0.00 C ATOM 1127 CG PRO A 78 -13.590 -21.346 -5.068 1.00 0.00 C ATOM 1128 CD PRO A 78 -13.109 -20.391 -4.001 1.00 0.00 C ATOM 0 HA PRO A 78 -12.958 -23.242 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.327 -23.085 -5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.882 -23.462 -4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.212 -21.055 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.678 -21.341 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.308 -19.759 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.915 -19.728 -3.687 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.740 -24.221 -3.016 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.407 -24.774 -2.962 1.00 0.00 C ATOM 1138 C ILE A 79 -9.069 -25.314 -4.349 1.00 0.00 C ATOM 1139 O ILE A 79 -9.966 -25.752 -5.074 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.364 -25.817 -1.830 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.465 -25.104 -0.464 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.079 -26.663 -1.872 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.576 -26.059 0.721 1.00 0.00 C ATOM 0 H ILE A 79 -11.473 -24.904 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.641 -24.037 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.210 -26.490 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.587 -24.472 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.334 -24.446 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.092 -27.385 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.023 -27.192 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.211 -26.012 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.643 -25.485 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.469 -26.674 0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.695 -26.701 0.755 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.789 -25.279 -4.732 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.386 -25.667 -6.077 1.00 0.00 C ATOM 1157 C GLY A 80 -7.960 -24.738 -7.151 1.00 0.00 C ATOM 1158 O GLY A 80 -7.940 -25.099 -8.328 1.00 0.00 O ATOM 0 H GLY A 80 -7.021 -24.986 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.298 -25.664 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.714 -26.688 -6.271 1.00 0.00 H new ATOM 1162 N SER A 81 -8.493 -23.569 -6.768 1.00 0.00 N ATOM 1163 CA SER A 81 -9.023 -22.585 -7.696 1.00 0.00 C ATOM 1164 C SER A 81 -8.064 -21.403 -7.698 1.00 0.00 C ATOM 1165 O SER A 81 -7.594 -20.966 -6.638 1.00 0.00 O ATOM 1166 CB SER A 81 -10.452 -22.213 -7.274 1.00 0.00 C ATOM 1167 OG SER A 81 -11.109 -21.341 -8.176 1.00 0.00 O ATOM 0 H SER A 81 -8.565 -23.286 -5.791 1.00 0.00 H new ATOM 0 HA SER A 81 -9.095 -22.966 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.040 -23.126 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.419 -21.745 -6.290 1.00 0.00 H new ATOM 0 HG SER A 81 -12.012 -21.149 -7.846 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.767 -20.902 -8.895 1.00 0.00 N ATOM 1174 CA GLU A 82 -7.029 -19.668 -9.067 1.00 0.00 C ATOM 1175 C GLU A 82 -7.838 -18.531 -8.440 1.00 0.00 C ATOM 1176 O GLU A 82 -9.066 -18.478 -8.560 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.786 -19.392 -10.563 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.343 -19.641 -11.022 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.972 -21.054 -11.448 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.816 -21.837 -11.930 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.755 -21.348 -11.448 1.00 0.00 O ATOM 0 H GLU A 82 -8.036 -21.348 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.057 -19.745 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.456 -20.020 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.050 -18.356 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.137 -18.973 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.677 -19.350 -10.210 1.00 0.00 H new ATOM 1188 N THR A 83 -7.138 -17.618 -7.780 1.00 0.00 N ATOM 1189 CA THR A 83 -7.679 -16.478 -7.059 1.00 0.00 C ATOM 1190 C THR A 83 -6.832 -15.263 -7.443 1.00 0.00 C ATOM 1191 O THR A 83 -5.605 -15.328 -7.306 1.00 0.00 O ATOM 1192 CB THR A 83 -7.620 -16.776 -5.552 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.144 -18.060 -5.266 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.449 -15.754 -4.781 1.00 0.00 C ATOM 0 H THR A 83 -6.120 -17.657 -7.732 1.00 0.00 H new ATOM 0 HA THR A 83 -8.721 -16.279 -7.311 1.00 0.00 H new ATOM 0 HB THR A 83 -6.573 -16.729 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.094 -18.226 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.400 -15.975 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.055 -14.754 -4.963 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.486 -15.801 -5.114 1.00 0.00 H new ATOM 1202 N SER A 84 -7.444 -14.192 -7.951 1.00 0.00 N ATOM 1203 CA SER A 84 -6.750 -13.048 -8.509 1.00 0.00 C ATOM 1204 C SER A 84 -6.571 -12.080 -7.367 1.00 0.00 C ATOM 1205 O SER A 84 -7.558 -11.776 -6.691 1.00 0.00 O ATOM 1206 CB SER A 84 -7.599 -12.373 -9.587 1.00 0.00 C ATOM 1207 OG SER A 84 -7.880 -13.262 -10.649 1.00 0.00 O ATOM 0 H SER A 84 -8.459 -14.101 -7.983 1.00 0.00 H new ATOM 0 HA SER A 84 -5.806 -13.352 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.532 -12.019 -9.149 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.075 -11.498 -9.971 1.00 0.00 H new ATOM 0 HG SER A 84 -8.425 -12.805 -11.323 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.347 -11.614 -7.136 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.073 -10.653 -6.088 1.00 0.00 C ATOM 1215 C LEU A 85 -4.377 -9.460 -6.727 1.00 0.00 C ATOM 1216 O LEU A 85 -3.350 -9.641 -7.378 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.197 -11.267 -4.977 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.007 -11.638 -3.725 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.853 -12.900 -3.912 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.072 -11.838 -2.525 1.00 0.00 C ATOM 0 H LEU A 85 -4.525 -11.894 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.005 -10.343 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.700 -12.158 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.415 -10.559 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.688 -10.806 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.401 -13.110 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.558 -12.748 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.203 -13.743 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.660 -12.100 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.367 -12.640 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.524 -10.916 -2.333 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.909 -8.254 -6.544 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.270 -7.024 -7.010 1.00 0.00 C ATOM 1234 C ILE A 86 -3.694 -6.333 -5.787 1.00 0.00 C ATOM 1235 O ILE A 86 -4.407 -6.171 -4.787 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.262 -6.137 -7.776 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -5.892 -6.984 -8.905 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.620 -4.861 -8.320 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.600 -6.212 -10.017 1.00 0.00 C ATOM 0 H ILE A 86 -5.798 -8.101 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.472 -7.241 -7.720 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.034 -5.796 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.107 -7.590 -9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.609 -7.672 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.369 -4.275 -8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.220 -4.274 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.812 -5.123 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.000 -6.913 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.415 -5.627 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.890 -5.544 -10.505 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.420 -5.956 -5.847 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.695 -5.337 -4.750 1.00 0.00 C ATOM 1253 C ILE A 87 -1.051 -4.040 -5.252 1.00 0.00 C ATOM 1254 O ILE A 87 -0.735 -3.908 -6.434 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.726 -6.353 -4.084 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.474 -6.784 -4.956 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.492 -7.623 -3.653 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.694 -5.868 -4.809 1.00 0.00 C ATOM 0 H ILE A 87 -1.851 -6.078 -6.685 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.368 -5.049 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.315 -5.817 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.759 -7.802 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.166 -6.802 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.800 -8.325 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.270 -7.354 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.947 -8.088 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.499 -6.229 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.425 -4.853 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.027 -5.869 -3.771 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.880 -3.059 -4.368 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.373 -1.737 -4.709 1.00 0.00 C ATOM 1272 C HIS A 88 1.160 -1.778 -4.709 1.00 0.00 C ATOM 1273 O HIS A 88 1.753 -1.900 -3.634 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.947 -0.703 -3.715 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.260 0.644 -4.319 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.370 1.420 -4.057 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.480 1.341 -5.200 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.246 2.562 -4.751 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.106 2.566 -5.450 1.00 0.00 N ATOM 0 H HIS A 88 -1.095 -3.166 -3.377 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.691 -1.435 -5.707 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.857 -1.109 -3.274 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.234 -0.565 -2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.453 1.005 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.967 3.366 -4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.761 3.316 -6.049 1.00 0.00 H new ATOM 1287 N ARG A 89 1.820 -1.725 -5.872 1.00 0.00 N ATOM 1288 CA ARG A 89 3.282 -1.739 -5.961 1.00 0.00 C ATOM 1289 C ARG A 89 3.736 -1.180 -7.307 1.00 0.00 C ATOM 1290 O ARG A 89 3.201 -1.532 -8.360 1.00 0.00 O ATOM 1291 CB ARG A 89 3.812 -3.171 -5.726 1.00 0.00 C ATOM 1292 CG ARG A 89 5.267 -3.403 -6.170 1.00 0.00 C ATOM 1293 CD ARG A 89 5.998 -4.465 -5.343 1.00 0.00 C ATOM 1294 NE ARG A 89 6.701 -3.872 -4.191 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.619 -4.481 -3.430 1.00 0.00 C ATOM 1296 NH1 ARG A 89 8.014 -5.724 -3.703 1.00 0.00 N ATOM 1297 NH2 ARG A 89 8.196 -3.824 -2.434 1.00 0.00 N ATOM 0 H ARG A 89 1.354 -1.671 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 89 3.698 -1.098 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.730 -3.404 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.169 -3.873 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.275 -3.702 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.813 -2.462 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.282 -5.207 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.714 -4.989 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 89 6.466 -2.909 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.616 -6.222 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.714 -6.177 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.941 -2.854 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.895 -4.288 -1.854 1.00 0.00 H new ATOM 1311 N GLY A 90 4.795 -0.381 -7.256 1.00 0.00 N ATOM 1312 CA GLY A 90 5.612 0.084 -8.361 1.00 0.00 C ATOM 1313 C GLY A 90 6.662 1.034 -7.787 1.00 0.00 C ATOM 1314 O GLY A 90 6.613 1.312 -6.588 1.00 0.00 O ATOM 0 H GLY A 90 5.129 -0.014 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.090 -0.756 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.998 0.594 -9.104 1.00 0.00 H new ATOM 1318 N SER A 91 7.580 1.544 -8.614 1.00 0.00 N ATOM 1319 CA SER A 91 8.600 2.533 -8.267 1.00 0.00 C ATOM 1320 C SER A 91 9.408 2.122 -7.030 1.00 0.00 C ATOM 1321 O SER A 91 9.057 2.480 -5.905 1.00 0.00 O ATOM 1322 CB SER A 91 7.918 3.901 -8.118 1.00 0.00 C ATOM 1323 OG SER A 91 8.844 4.968 -8.032 1.00 0.00 O ATOM 0 H SER A 91 7.633 1.262 -9.593 1.00 0.00 H new ATOM 0 HA SER A 91 9.338 2.597 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.257 4.067 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.293 3.895 -7.225 1.00 0.00 H new ATOM 0 HG SER A 91 8.360 5.815 -7.940 1.00 0.00 H new ATOM 1329 N GLY A 92 10.503 1.380 -7.220 1.00 0.00 N ATOM 1330 CA GLY A 92 11.345 0.963 -6.100 1.00 0.00 C ATOM 1331 C GLY A 92 10.573 0.059 -5.125 1.00 0.00 C ATOM 1332 O GLY A 92 9.560 -0.534 -5.517 1.00 0.00 O ATOM 0 H GLY A 92 10.824 1.059 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.219 0.431 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.711 1.843 -5.571 1.00 0.00 H new ATOM 1336 N PRO A 93 11.080 -0.152 -3.902 1.00 0.00 N ATOM 1337 CA PRO A 93 10.450 -1.031 -2.924 1.00 0.00 C ATOM 1338 C PRO A 93 9.273 -0.408 -2.150 1.00 0.00 C ATOM 1339 O PRO A 93 8.411 -1.160 -1.692 1.00 0.00 O ATOM 1340 CB PRO A 93 11.582 -1.392 -1.956 1.00 0.00 C ATOM 1341 CG PRO A 93 12.497 -0.168 -1.992 1.00 0.00 C ATOM 1342 CD PRO A 93 12.395 0.280 -3.449 1.00 0.00 C ATOM 0 HA PRO A 93 10.001 -1.883 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.204 -1.580 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.107 -2.293 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.162 0.609 -1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.521 -0.419 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.503 1.361 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.184 -0.168 -4.053 1.00 0.00 H new ATOM 1350 N SER A 94 9.242 0.911 -1.929 1.00 0.00 N ATOM 1351 CA SER A 94 8.477 1.502 -0.828 1.00 0.00 C ATOM 1352 C SER A 94 8.182 2.977 -1.109 1.00 0.00 C ATOM 1353 O SER A 94 9.129 3.758 -1.213 1.00 0.00 O ATOM 1354 CB SER A 94 9.325 1.396 0.455 1.00 0.00 C ATOM 1355 OG SER A 94 9.454 0.064 0.907 1.00 0.00 O ATOM 0 H SER A 94 9.741 1.592 -2.502 1.00 0.00 H new ATOM 0 HA SER A 94 7.531 0.973 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.315 1.811 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.869 2.000 1.239 1.00 0.00 H new ATOM 0 HG SER A 94 10.000 0.046 1.720 1.00 0.00 H new ATOM 1361 N SER A 95 6.909 3.389 -1.161 1.00 0.00 N ATOM 1362 CA SER A 95 6.532 4.795 -1.316 1.00 0.00 C ATOM 1363 C SER A 95 7.125 5.685 -0.212 1.00 0.00 C ATOM 1364 O SER A 95 7.338 6.881 -0.434 1.00 0.00 O ATOM 1365 CB SER A 95 5.003 4.942 -1.289 1.00 0.00 C ATOM 1366 OG SER A 95 4.400 4.607 -2.519 1.00 0.00 O ATOM 0 H SER A 95 6.113 2.755 -1.097 1.00 0.00 H new ATOM 0 HA SER A 95 6.933 5.121 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.595 4.305 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.746 5.969 -1.031 1.00 0.00 H new ATOM 0 HG SER A 95 3.429 4.716 -2.447 1.00 0.00 H new ATOM 1372 N GLY A 96 7.369 5.152 0.982 1.00 0.00 N ATOM 1373 CA GLY A 96 7.748 5.902 2.166 1.00 0.00 C ATOM 1374 C GLY A 96 7.293 5.056 3.320 1.00 0.00 C ATOM 1375 O GLY A 96 6.257 5.363 3.943 1.00 0.00 O ATOM 0 H GLY A 96 7.305 4.149 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.824 6.070 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.271 6.882 2.182 1.00 0.00 H new TER 1379 GLY A 96