USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 26 ASN : amide:sc= 1.04 K(o=2.2,f=-4.9!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 141:sc= 1.16 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0613 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -82:sc= 0.367 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 21 SER OG : rot 180:sc= 1.02 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.362 K(o=0.36,f=-3.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 70 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00197 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.373 -13.003 -24.181 1.00 0.00 N ATOM 2 CA GLY A 1 10.503 -12.068 -25.314 1.00 0.00 C ATOM 3 C GLY A 1 11.810 -11.279 -25.277 1.00 0.00 C ATOM 4 O GLY A 1 12.781 -11.748 -24.668 1.00 0.00 O ATOM 0 H1 GLY A 1 10.117 -13.946 -24.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.278 -13.059 -23.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.632 -12.664 -23.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.446 -12.626 -26.249 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.663 -11.373 -25.305 1.00 0.00 H new ATOM 10 N PRO A 2 11.867 -10.104 -25.937 1.00 0.00 N ATOM 11 CA PRO A 2 13.057 -9.247 -26.004 1.00 0.00 C ATOM 12 C PRO A 2 13.541 -8.737 -24.633 1.00 0.00 C ATOM 13 O PRO A 2 12.780 -8.663 -23.658 1.00 0.00 O ATOM 14 CB PRO A 2 12.681 -8.089 -26.935 1.00 0.00 C ATOM 15 CG PRO A 2 11.574 -8.677 -27.806 1.00 0.00 C ATOM 16 CD PRO A 2 10.833 -9.580 -26.827 1.00 0.00 C ATOM 0 HA PRO A 2 13.904 -9.821 -26.379 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.333 -7.221 -26.375 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.532 -7.762 -27.533 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.925 -7.903 -28.216 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.976 -9.237 -28.651 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.079 -9.024 -26.271 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.315 -10.386 -27.348 1.00 0.00 H new ATOM 24 N GLY A 3 14.812 -8.345 -24.567 1.00 0.00 N ATOM 25 CA GLY A 3 15.469 -7.786 -23.379 1.00 0.00 C ATOM 26 C GLY A 3 16.878 -7.244 -23.658 1.00 0.00 C ATOM 27 O GLY A 3 17.403 -7.401 -24.765 1.00 0.00 O ATOM 0 H GLY A 3 15.440 -8.409 -25.369 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.852 -6.983 -22.976 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.530 -8.557 -22.611 1.00 0.00 H new ATOM 31 N SER A 4 17.491 -6.587 -22.667 1.00 0.00 N ATOM 32 CA SER A 4 18.832 -5.976 -22.762 1.00 0.00 C ATOM 33 C SER A 4 19.557 -5.940 -21.406 1.00 0.00 C ATOM 34 O SER A 4 18.923 -5.818 -20.350 1.00 0.00 O ATOM 35 CB SER A 4 18.710 -4.553 -23.327 1.00 0.00 C ATOM 36 OG SER A 4 19.987 -4.031 -23.642 1.00 0.00 O ATOM 0 H SER A 4 17.061 -6.459 -21.751 1.00 0.00 H new ATOM 0 HA SER A 4 19.429 -6.596 -23.431 1.00 0.00 H new ATOM 0 HB2 SER A 4 18.085 -4.563 -24.220 1.00 0.00 H new ATOM 0 HB3 SER A 4 18.217 -3.908 -22.600 1.00 0.00 H new ATOM 0 HG SER A 4 19.890 -3.125 -24.002 1.00 0.00 H new ATOM 42 N TYR A 5 20.890 -6.021 -21.442 1.00 0.00 N ATOM 43 CA TYR A 5 21.809 -5.967 -20.289 1.00 0.00 C ATOM 44 C TYR A 5 21.433 -6.955 -19.155 1.00 0.00 C ATOM 45 O TYR A 5 20.962 -8.064 -19.430 1.00 0.00 O ATOM 46 CB TYR A 5 21.989 -4.490 -19.871 1.00 0.00 C ATOM 47 CG TYR A 5 23.217 -4.188 -19.027 1.00 0.00 C ATOM 48 CD1 TYR A 5 24.503 -4.453 -19.538 1.00 0.00 C ATOM 49 CD2 TYR A 5 23.077 -3.638 -17.738 1.00 0.00 C ATOM 50 CE1 TYR A 5 25.644 -4.185 -18.760 1.00 0.00 C ATOM 51 CE2 TYR A 5 24.216 -3.371 -16.952 1.00 0.00 C ATOM 52 CZ TYR A 5 25.505 -3.649 -17.459 1.00 0.00 C ATOM 53 OH TYR A 5 26.605 -3.396 -16.694 1.00 0.00 O ATOM 0 H TYR A 5 21.390 -6.132 -22.324 1.00 0.00 H new ATOM 0 HA TYR A 5 22.793 -6.337 -20.579 1.00 0.00 H new ATOM 0 HB2 TYR A 5 22.032 -3.879 -20.773 1.00 0.00 H new ATOM 0 HB3 TYR A 5 21.104 -4.178 -19.316 1.00 0.00 H new ATOM 0 HD1 TYR A 5 24.613 -4.863 -20.531 1.00 0.00 H new ATOM 0 HD2 TYR A 5 22.093 -3.420 -17.350 1.00 0.00 H new ATOM 0 HE1 TYR A 5 26.627 -4.389 -19.157 1.00 0.00 H new ATOM 0 HE2 TYR A 5 24.103 -2.954 -15.962 1.00 0.00 H new ATOM 0 HH TYR A 5 26.325 -3.029 -15.830 1.00 0.00 H new ATOM 63 N THR A 6 21.665 -6.594 -17.888 1.00 0.00 N ATOM 64 CA THR A 6 21.451 -7.458 -16.709 1.00 0.00 C ATOM 65 C THR A 6 19.988 -7.556 -16.240 1.00 0.00 C ATOM 66 O THR A 6 19.689 -8.316 -15.313 1.00 0.00 O ATOM 67 CB THR A 6 22.341 -7.003 -15.537 1.00 0.00 C ATOM 68 OG1 THR A 6 22.068 -5.653 -15.210 1.00 0.00 O ATOM 69 CG2 THR A 6 23.834 -7.131 -15.851 1.00 0.00 C ATOM 0 H THR A 6 22.016 -5.669 -17.642 1.00 0.00 H new ATOM 0 HA THR A 6 21.730 -8.459 -17.037 1.00 0.00 H new ATOM 0 HB THR A 6 22.108 -7.659 -14.698 1.00 0.00 H new ATOM 0 HG1 THR A 6 22.561 -5.063 -15.818 1.00 0.00 H new ATOM 0 HG21 THR A 6 24.416 -6.797 -14.992 1.00 0.00 H new ATOM 0 HG22 THR A 6 24.072 -8.172 -16.068 1.00 0.00 H new ATOM 0 HG23 THR A 6 24.078 -6.515 -16.716 1.00 0.00 H new ATOM 77 N GLY A 7 19.059 -6.827 -16.867 1.00 0.00 N ATOM 78 CA GLY A 7 17.627 -6.825 -16.517 1.00 0.00 C ATOM 79 C GLY A 7 17.320 -6.119 -15.191 1.00 0.00 C ATOM 80 O GLY A 7 17.821 -5.023 -14.931 1.00 0.00 O ATOM 0 H GLY A 7 19.281 -6.209 -17.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.067 -6.339 -17.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.274 -7.855 -16.461 1.00 0.00 H new ATOM 84 N ALA A 8 16.483 -6.741 -14.355 1.00 0.00 N ATOM 85 CA ALA A 8 16.056 -6.250 -13.035 1.00 0.00 C ATOM 86 C ALA A 8 15.386 -4.848 -13.046 1.00 0.00 C ATOM 87 O ALA A 8 15.558 -4.048 -12.121 1.00 0.00 O ATOM 88 CB ALA A 8 17.199 -6.419 -12.023 1.00 0.00 C ATOM 0 H ALA A 8 16.064 -7.641 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 8 15.230 -6.878 -12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 8 16.878 -6.054 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.464 -7.473 -11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 8 18.067 -5.850 -12.356 1.00 0.00 H new ATOM 94 N GLY A 9 14.629 -4.544 -14.105 1.00 0.00 N ATOM 95 CA GLY A 9 13.931 -3.260 -14.310 1.00 0.00 C ATOM 96 C GLY A 9 12.674 -3.043 -13.451 1.00 0.00 C ATOM 97 O GLY A 9 12.155 -1.927 -13.380 1.00 0.00 O ATOM 0 H GLY A 9 14.477 -5.202 -14.870 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.632 -2.450 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.649 -3.184 -15.360 1.00 0.00 H new ATOM 101 N GLU A 10 12.174 -4.091 -12.791 1.00 0.00 N ATOM 102 CA GLU A 10 10.965 -4.089 -11.955 1.00 0.00 C ATOM 103 C GLU A 10 11.178 -4.909 -10.656 1.00 0.00 C ATOM 104 O GLU A 10 11.969 -5.864 -10.664 1.00 0.00 O ATOM 105 CB GLU A 10 9.792 -4.704 -12.747 1.00 0.00 C ATOM 106 CG GLU A 10 9.308 -3.851 -13.929 1.00 0.00 C ATOM 107 CD GLU A 10 8.070 -4.497 -14.578 1.00 0.00 C ATOM 108 OE1 GLU A 10 8.187 -5.571 -15.217 1.00 0.00 O ATOM 109 OE2 GLU A 10 6.945 -3.961 -14.445 1.00 0.00 O ATOM 0 H GLU A 10 12.620 -5.008 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 10 10.743 -3.057 -11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.095 -5.682 -13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.956 -4.868 -12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.065 -2.845 -13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.105 -3.752 -14.666 1.00 0.00 H new ATOM 116 N PRO A 11 10.473 -4.601 -9.548 1.00 0.00 N ATOM 117 CA PRO A 11 10.469 -5.432 -8.338 1.00 0.00 C ATOM 118 C PRO A 11 9.784 -6.792 -8.573 1.00 0.00 C ATOM 119 O PRO A 11 8.903 -6.931 -9.428 1.00 0.00 O ATOM 120 CB PRO A 11 9.736 -4.602 -7.274 1.00 0.00 C ATOM 121 CG PRO A 11 8.774 -3.753 -8.105 1.00 0.00 C ATOM 122 CD PRO A 11 9.567 -3.472 -9.379 1.00 0.00 C ATOM 0 HA PRO A 11 11.483 -5.679 -8.025 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.205 -5.235 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.425 -3.984 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.847 -4.286 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.501 -2.832 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.903 -3.373 -10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.121 -2.537 -9.295 1.00 0.00 H new ATOM 130 N SER A 12 10.168 -7.805 -7.791 1.00 0.00 N ATOM 131 CA SER A 12 9.581 -9.153 -7.859 1.00 0.00 C ATOM 132 C SER A 12 8.162 -9.174 -7.289 1.00 0.00 C ATOM 133 O SER A 12 7.931 -8.750 -6.155 1.00 0.00 O ATOM 134 CB SER A 12 10.460 -10.176 -7.124 1.00 0.00 C ATOM 135 OG SER A 12 11.706 -10.334 -7.788 1.00 0.00 O ATOM 0 H SER A 12 10.900 -7.715 -7.087 1.00 0.00 H new ATOM 0 HA SER A 12 9.530 -9.430 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.628 -9.849 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.945 -11.135 -7.072 1.00 0.00 H new ATOM 0 HG SER A 12 12.253 -10.988 -7.305 1.00 0.00 H new ATOM 141 N GLN A 13 7.207 -9.733 -8.043 1.00 0.00 N ATOM 142 CA GLN A 13 5.804 -9.859 -7.619 1.00 0.00 C ATOM 143 C GLN A 13 5.628 -10.683 -6.337 1.00 0.00 C ATOM 144 O GLN A 13 4.724 -10.407 -5.544 1.00 0.00 O ATOM 145 CB GLN A 13 4.954 -10.408 -8.781 1.00 0.00 C ATOM 146 CG GLN A 13 5.330 -11.838 -9.221 1.00 0.00 C ATOM 147 CD GLN A 13 4.512 -12.356 -10.409 1.00 0.00 C ATOM 148 OE1 GLN A 13 3.643 -11.699 -10.968 1.00 0.00 O ATOM 149 NE2 GLN A 13 4.764 -13.570 -10.850 1.00 0.00 N ATOM 0 H GLN A 13 7.386 -10.114 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 13 5.449 -8.861 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.905 -10.395 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.053 -9.739 -9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.388 -11.861 -9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.196 -12.515 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.483 -14.137 -10.401 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.240 -13.944 -11.641 1.00 0.00 H new ATOM 158 N ALA A 14 6.522 -11.651 -6.101 1.00 0.00 N ATOM 159 CA ALA A 14 6.540 -12.492 -4.902 1.00 0.00 C ATOM 160 C ALA A 14 7.127 -11.779 -3.668 1.00 0.00 C ATOM 161 O ALA A 14 6.698 -12.035 -2.542 1.00 0.00 O ATOM 162 CB ALA A 14 7.317 -13.766 -5.244 1.00 0.00 C ATOM 0 H ALA A 14 7.271 -11.875 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 14 5.515 -12.731 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.350 -14.417 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.822 -14.285 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.333 -13.504 -5.540 1.00 0.00 H new ATOM 168 N ASP A 15 8.061 -10.844 -3.863 1.00 0.00 N ATOM 169 CA ASP A 15 8.619 -10.007 -2.788 1.00 0.00 C ATOM 170 C ASP A 15 7.621 -8.938 -2.329 1.00 0.00 C ATOM 171 O ASP A 15 7.487 -8.660 -1.135 1.00 0.00 O ATOM 172 CB ASP A 15 9.942 -9.390 -3.255 1.00 0.00 C ATOM 173 CG ASP A 15 10.621 -8.585 -2.135 1.00 0.00 C ATOM 174 OD1 ASP A 15 11.166 -9.206 -1.186 1.00 0.00 O ATOM 175 OD2 ASP A 15 10.643 -7.331 -2.223 1.00 0.00 O ATOM 0 H ASP A 15 8.458 -10.642 -4.781 1.00 0.00 H new ATOM 0 HA ASP A 15 8.816 -10.635 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.613 -10.180 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.758 -8.740 -4.110 1.00 0.00 H new ATOM 180 N LEU A 16 6.844 -8.417 -3.281 1.00 0.00 N ATOM 181 CA LEU A 16 5.683 -7.571 -3.015 1.00 0.00 C ATOM 182 C LEU A 16 4.616 -8.351 -2.239 1.00 0.00 C ATOM 183 O LEU A 16 4.202 -7.913 -1.166 1.00 0.00 O ATOM 184 CB LEU A 16 5.116 -7.016 -4.334 1.00 0.00 C ATOM 185 CG LEU A 16 6.030 -5.994 -5.027 1.00 0.00 C ATOM 186 CD1 LEU A 16 5.563 -5.737 -6.456 1.00 0.00 C ATOM 187 CD2 LEU A 16 6.028 -4.655 -4.304 1.00 0.00 C ATOM 0 H LEU A 16 7.009 -8.575 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 16 5.996 -6.729 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.933 -7.846 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.152 -6.549 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 16 7.033 -6.420 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.223 -5.010 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.586 -6.670 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.545 -5.347 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.686 -3.959 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.015 -4.252 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.381 -4.793 -3.282 1.00 0.00 H new ATOM 199 N ASP A 17 4.206 -9.527 -2.716 1.00 0.00 N ATOM 200 CA ASP A 17 3.193 -10.358 -2.056 1.00 0.00 C ATOM 201 C ASP A 17 3.563 -10.709 -0.599 1.00 0.00 C ATOM 202 O ASP A 17 2.706 -10.675 0.286 1.00 0.00 O ATOM 203 CB ASP A 17 3.013 -11.648 -2.873 1.00 0.00 C ATOM 204 CG ASP A 17 1.883 -12.521 -2.328 1.00 0.00 C ATOM 205 OD1 ASP A 17 0.708 -12.103 -2.439 1.00 0.00 O ATOM 206 OD2 ASP A 17 2.151 -13.622 -1.794 1.00 0.00 O ATOM 0 H ASP A 17 4.569 -9.934 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 17 2.265 -9.788 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.804 -11.392 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.944 -12.214 -2.865 1.00 0.00 H new ATOM 211 N ALA A 18 4.845 -10.988 -0.342 1.00 0.00 N ATOM 212 CA ALA A 18 5.353 -11.315 0.994 1.00 0.00 C ATOM 213 C ALA A 18 5.321 -10.108 1.947 1.00 0.00 C ATOM 214 O ALA A 18 4.937 -10.234 3.117 1.00 0.00 O ATOM 215 CB ALA A 18 6.776 -11.859 0.853 1.00 0.00 C ATOM 0 H ALA A 18 5.566 -10.993 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 18 4.702 -12.069 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.170 -12.108 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.763 -12.754 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.410 -11.103 0.389 1.00 0.00 H new ATOM 221 N LEU A 19 5.695 -8.926 1.447 1.00 0.00 N ATOM 222 CA LEU A 19 5.641 -7.665 2.189 1.00 0.00 C ATOM 223 C LEU A 19 4.191 -7.268 2.498 1.00 0.00 C ATOM 224 O LEU A 19 3.871 -6.921 3.636 1.00 0.00 O ATOM 225 CB LEU A 19 6.334 -6.579 1.343 1.00 0.00 C ATOM 226 CG LEU A 19 6.311 -5.180 1.986 1.00 0.00 C ATOM 227 CD1 LEU A 19 7.353 -5.061 3.094 1.00 0.00 C ATOM 228 CD2 LEU A 19 6.566 -4.124 0.914 1.00 0.00 C ATOM 0 H LEU A 19 6.050 -8.818 0.497 1.00 0.00 H new ATOM 0 HA LEU A 19 6.153 -7.779 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.370 -6.872 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.850 -6.528 0.368 1.00 0.00 H new ATOM 0 HG LEU A 19 5.329 -5.023 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.311 -4.062 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.148 -5.801 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.346 -5.235 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.550 -3.133 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.540 -4.298 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.790 -4.186 0.151 1.00 0.00 H new ATOM 240 N LEU A 20 3.322 -7.318 1.489 1.00 0.00 N ATOM 241 CA LEU A 20 1.941 -6.837 1.573 1.00 0.00 C ATOM 242 C LEU A 20 1.114 -7.645 2.586 1.00 0.00 C ATOM 243 O LEU A 20 0.322 -7.065 3.327 1.00 0.00 O ATOM 244 CB LEU A 20 1.306 -6.920 0.177 1.00 0.00 C ATOM 245 CG LEU A 20 1.850 -5.884 -0.832 1.00 0.00 C ATOM 246 CD1 LEU A 20 1.540 -6.289 -2.274 1.00 0.00 C ATOM 247 CD2 LEU A 20 1.236 -4.501 -0.614 1.00 0.00 C ATOM 0 H LEU A 20 3.561 -7.700 0.574 1.00 0.00 H new ATOM 0 HA LEU A 20 1.951 -5.805 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.468 -7.920 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.228 -6.786 0.272 1.00 0.00 H new ATOM 0 HG LEU A 20 2.927 -5.849 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.937 -5.538 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.001 -7.253 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.461 -6.365 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.645 -3.802 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.154 -4.560 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.470 -4.153 0.392 1.00 0.00 H new ATOM 259 N SER A 21 1.338 -8.963 2.689 1.00 0.00 N ATOM 260 CA SER A 21 0.694 -9.812 3.703 1.00 0.00 C ATOM 261 C SER A 21 1.007 -9.367 5.135 1.00 0.00 C ATOM 262 O SER A 21 0.141 -9.463 6.005 1.00 0.00 O ATOM 263 CB SER A 21 1.135 -11.270 3.550 1.00 0.00 C ATOM 264 OG SER A 21 0.526 -11.842 2.405 1.00 0.00 O ATOM 0 H SER A 21 1.971 -9.471 2.071 1.00 0.00 H new ATOM 0 HA SER A 21 -0.379 -9.714 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.220 -11.323 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.861 -11.837 4.440 1.00 0.00 H new ATOM 0 HG SER A 21 0.814 -12.774 2.313 1.00 0.00 H new ATOM 270 N ALA A 22 2.209 -8.840 5.391 1.00 0.00 N ATOM 271 CA ALA A 22 2.603 -8.387 6.722 1.00 0.00 C ATOM 272 C ALA A 22 1.969 -7.034 7.097 1.00 0.00 C ATOM 273 O ALA A 22 1.626 -6.826 8.260 1.00 0.00 O ATOM 274 CB ALA A 22 4.137 -8.380 6.799 1.00 0.00 C ATOM 0 H ALA A 22 2.931 -8.717 4.681 1.00 0.00 H new ATOM 0 HA ALA A 22 2.219 -9.080 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.450 -8.044 7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.515 -9.387 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.536 -7.704 6.043 1.00 0.00 H new ATOM 280 N VAL A 23 1.743 -6.128 6.131 1.00 0.00 N ATOM 281 CA VAL A 23 1.075 -4.834 6.395 1.00 0.00 C ATOM 282 C VAL A 23 -0.449 -4.979 6.427 1.00 0.00 C ATOM 283 O VAL A 23 -1.106 -4.346 7.255 1.00 0.00 O ATOM 284 CB VAL A 23 1.579 -3.717 5.456 1.00 0.00 C ATOM 285 CG1 VAL A 23 1.523 -4.105 3.985 1.00 0.00 C ATOM 286 CG2 VAL A 23 0.853 -2.385 5.641 1.00 0.00 C ATOM 0 H VAL A 23 2.012 -6.265 5.157 1.00 0.00 H new ATOM 0 HA VAL A 23 1.360 -4.513 7.397 1.00 0.00 H new ATOM 0 HB VAL A 23 2.620 -3.584 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.890 -3.279 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.145 -4.984 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.493 -4.331 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.261 -1.649 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.210 -2.520 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.990 -2.035 6.664 1.00 0.00 H new ATOM 296 N ARG A 24 -1.011 -5.892 5.623 1.00 0.00 N ATOM 297 CA ARG A 24 -2.437 -6.276 5.670 1.00 0.00 C ATOM 298 C ARG A 24 -2.827 -6.940 7.000 1.00 0.00 C ATOM 299 O ARG A 24 -3.979 -6.832 7.420 1.00 0.00 O ATOM 300 CB ARG A 24 -2.740 -7.176 4.456 1.00 0.00 C ATOM 301 CG ARG A 24 -4.213 -7.570 4.236 1.00 0.00 C ATOM 302 CD ARG A 24 -5.174 -6.391 4.006 1.00 0.00 C ATOM 303 NE ARG A 24 -5.527 -5.716 5.271 1.00 0.00 N ATOM 304 CZ ARG A 24 -6.039 -4.509 5.415 1.00 0.00 C ATOM 305 NH1 ARG A 24 -6.410 -3.779 4.404 1.00 0.00 N ATOM 306 NH2 ARG A 24 -6.172 -3.981 6.596 1.00 0.00 N ATOM 0 H ARG A 24 -0.483 -6.395 4.909 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.050 -5.376 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.386 -6.668 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.155 -8.090 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.270 -8.239 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.556 -8.135 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.713 -5.673 3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.081 -6.751 3.521 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.356 -6.241 6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.310 -4.135 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.801 -2.850 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.879 -4.501 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.569 -3.047 6.695 1.00 0.00 H new ATOM 320 N ASP A 25 -1.865 -7.573 7.675 1.00 0.00 N ATOM 321 CA ASP A 25 -2.014 -8.253 8.971 1.00 0.00 C ATOM 322 C ASP A 25 -1.522 -7.380 10.151 1.00 0.00 C ATOM 323 O ASP A 25 -1.345 -7.874 11.266 1.00 0.00 O ATOM 324 CB ASP A 25 -1.310 -9.619 8.893 1.00 0.00 C ATOM 325 CG ASP A 25 -1.636 -10.567 10.058 1.00 0.00 C ATOM 326 OD1 ASP A 25 -2.820 -10.689 10.455 1.00 0.00 O ATOM 327 OD2 ASP A 25 -0.702 -11.258 10.534 1.00 0.00 O ATOM 0 H ASP A 25 -0.911 -7.630 7.317 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.072 -8.420 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.587 -10.104 7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.232 -9.458 8.862 1.00 0.00 H new ATOM 332 N ASN A 26 -1.312 -6.074 9.914 1.00 0.00 N ATOM 333 CA ASN A 26 -0.926 -5.060 10.904 1.00 0.00 C ATOM 334 C ASN A 26 0.438 -5.299 11.597 1.00 0.00 C ATOM 335 O ASN A 26 0.709 -4.714 12.652 1.00 0.00 O ATOM 336 CB ASN A 26 -2.087 -4.835 11.898 1.00 0.00 C ATOM 337 CG ASN A 26 -3.415 -4.521 11.231 1.00 0.00 C ATOM 338 OD1 ASN A 26 -3.616 -3.446 10.683 1.00 0.00 O ATOM 339 ND2 ASN A 26 -4.365 -5.429 11.260 1.00 0.00 N ATOM 0 H ASN A 26 -1.413 -5.679 8.979 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.750 -4.136 10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.203 -5.727 12.514 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.825 -4.016 12.568 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.268 -5.237 10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.199 -6.326 11.716 1.00 0.00 H new ATOM 346 N ARG A 27 1.314 -6.130 11.012 1.00 0.00 N ATOM 347 CA ARG A 27 2.664 -6.447 11.530 1.00 0.00 C ATOM 348 C ARG A 27 3.801 -5.659 10.859 1.00 0.00 C ATOM 349 O ARG A 27 4.926 -5.671 11.368 1.00 0.00 O ATOM 350 CB ARG A 27 2.893 -7.963 11.490 1.00 0.00 C ATOM 351 CG ARG A 27 2.095 -8.632 12.619 1.00 0.00 C ATOM 352 CD ARG A 27 2.461 -10.101 12.805 1.00 0.00 C ATOM 353 NE ARG A 27 1.875 -10.955 11.752 1.00 0.00 N ATOM 354 CZ ARG A 27 2.451 -11.925 11.072 1.00 0.00 C ATOM 355 NH1 ARG A 27 3.701 -12.267 11.224 1.00 0.00 N ATOM 356 NH2 ARG A 27 1.738 -12.574 10.204 1.00 0.00 N ATOM 0 H ARG A 27 1.102 -6.616 10.141 1.00 0.00 H new ATOM 0 HA ARG A 27 2.694 -6.113 12.567 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.583 -8.363 10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.955 -8.184 11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.273 -8.096 13.551 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.030 -8.551 12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.546 -10.208 12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.115 -10.440 13.781 1.00 0.00 H new ATOM 0 HE ARG A 27 0.899 -10.770 11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.286 -11.774 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.093 -13.027 10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.758 -12.328 10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.157 -13.330 9.663 1.00 0.00 H new ATOM 370 N LEU A 28 3.520 -4.954 9.760 1.00 0.00 N ATOM 371 CA LEU A 28 4.457 -4.099 9.024 1.00 0.00 C ATOM 372 C LEU A 28 3.801 -2.717 8.803 1.00 0.00 C ATOM 373 O LEU A 28 2.619 -2.641 8.470 1.00 0.00 O ATOM 374 CB LEU A 28 4.812 -4.851 7.723 1.00 0.00 C ATOM 375 CG LEU A 28 6.122 -4.530 6.992 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.256 -3.067 6.646 1.00 0.00 C ATOM 377 CD2 LEU A 28 7.363 -4.934 7.791 1.00 0.00 C ATOM 0 H LEU A 28 2.591 -4.964 9.339 1.00 0.00 H new ATOM 0 HA LEU A 28 5.384 -3.903 9.562 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.821 -5.916 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.997 -4.685 7.018 1.00 0.00 H new ATOM 0 HG LEU A 28 6.067 -5.120 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.202 -2.900 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.432 -2.770 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.231 -2.473 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.259 -4.682 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.374 -4.400 8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.342 -6.008 7.978 1.00 0.00 H new ATOM 389 N SER A 29 4.541 -1.625 9.019 1.00 0.00 N ATOM 390 CA SER A 29 4.029 -0.243 8.901 1.00 0.00 C ATOM 391 C SER A 29 4.059 0.306 7.464 1.00 0.00 C ATOM 392 O SER A 29 4.838 -0.163 6.631 1.00 0.00 O ATOM 393 CB SER A 29 4.791 0.708 9.836 1.00 0.00 C ATOM 394 OG SER A 29 4.719 0.273 11.190 1.00 0.00 O ATOM 0 H SER A 29 5.525 -1.669 9.284 1.00 0.00 H new ATOM 0 HA SER A 29 2.982 -0.293 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.834 0.767 9.526 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.376 1.713 9.752 1.00 0.00 H new ATOM 0 HG SER A 29 5.214 0.897 11.761 1.00 0.00 H new ATOM 400 N ILE A 30 3.273 1.351 7.181 1.00 0.00 N ATOM 401 CA ILE A 30 3.256 2.052 5.880 1.00 0.00 C ATOM 402 C ILE A 30 4.660 2.550 5.508 1.00 0.00 C ATOM 403 O ILE A 30 5.176 2.229 4.439 1.00 0.00 O ATOM 404 CB ILE A 30 2.257 3.239 5.921 1.00 0.00 C ATOM 405 CG1 ILE A 30 0.820 2.836 6.326 1.00 0.00 C ATOM 406 CG2 ILE A 30 2.238 4.002 4.585 1.00 0.00 C ATOM 407 CD1 ILE A 30 0.092 1.910 5.345 1.00 0.00 C ATOM 0 H ILE A 30 2.618 1.744 7.857 1.00 0.00 H new ATOM 0 HA ILE A 30 2.932 1.345 5.116 1.00 0.00 H new ATOM 0 HB ILE A 30 2.627 3.897 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.859 2.346 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.228 3.743 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.528 4.827 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.233 4.394 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.939 3.326 3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.906 1.690 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.011 2.399 4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.652 0.981 5.237 1.00 0.00 H new ATOM 419 N GLU A 31 5.319 3.291 6.406 1.00 0.00 N ATOM 420 CA GLU A 31 6.642 3.888 6.148 1.00 0.00 C ATOM 421 C GLU A 31 7.753 2.829 6.038 1.00 0.00 C ATOM 422 O GLU A 31 8.683 2.972 5.238 1.00 0.00 O ATOM 423 CB GLU A 31 6.985 4.906 7.248 1.00 0.00 C ATOM 424 CG GLU A 31 6.005 6.084 7.297 1.00 0.00 C ATOM 425 CD GLU A 31 6.442 7.130 8.334 1.00 0.00 C ATOM 426 OE1 GLU A 31 6.176 6.941 9.546 1.00 0.00 O ATOM 427 OE2 GLU A 31 7.057 8.157 7.949 1.00 0.00 O ATOM 0 H GLU A 31 4.952 3.496 7.335 1.00 0.00 H new ATOM 0 HA GLU A 31 6.586 4.395 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.988 4.402 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.993 5.285 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.942 6.549 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.007 5.720 7.542 1.00 0.00 H new ATOM 434 N GLN A 32 7.622 1.732 6.787 1.00 0.00 N ATOM 435 CA GLN A 32 8.513 0.572 6.706 1.00 0.00 C ATOM 436 C GLN A 32 8.360 -0.132 5.346 1.00 0.00 C ATOM 437 O GLN A 32 9.357 -0.405 4.678 1.00 0.00 O ATOM 438 CB GLN A 32 8.184 -0.398 7.846 1.00 0.00 C ATOM 439 CG GLN A 32 8.581 0.090 9.244 1.00 0.00 C ATOM 440 CD GLN A 32 8.157 -0.885 10.345 1.00 0.00 C ATOM 441 OE1 GLN A 32 7.387 -1.818 10.154 1.00 0.00 O ATOM 442 NE2 GLN A 32 8.623 -0.688 11.562 1.00 0.00 N ATOM 0 H GLN A 32 6.881 1.623 7.479 1.00 0.00 H new ATOM 0 HA GLN A 32 9.546 0.906 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.112 -0.596 7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.685 -1.346 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.661 0.231 9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.126 1.063 9.429 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.266 0.083 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.341 -1.307 12.322 1.00 0.00 H new ATOM 451 N ALA A 33 7.131 -0.357 4.871 1.00 0.00 N ATOM 452 CA ALA A 33 6.894 -0.982 3.568 1.00 0.00 C ATOM 453 C ALA A 33 7.377 -0.116 2.392 1.00 0.00 C ATOM 454 O ALA A 33 7.792 -0.661 1.371 1.00 0.00 O ATOM 455 CB ALA A 33 5.407 -1.352 3.455 1.00 0.00 C ATOM 0 H ALA A 33 6.279 -0.113 5.375 1.00 0.00 H new ATOM 0 HA ALA A 33 7.491 -1.892 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.221 -1.818 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.144 -2.049 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.800 -0.451 3.547 1.00 0.00 H new ATOM 461 N VAL A 34 7.413 1.213 2.543 1.00 0.00 N ATOM 462 CA VAL A 34 8.002 2.125 1.550 1.00 0.00 C ATOM 463 C VAL A 34 9.535 2.075 1.607 1.00 0.00 C ATOM 464 O VAL A 34 10.172 2.038 0.555 1.00 0.00 O ATOM 465 CB VAL A 34 7.456 3.555 1.743 1.00 0.00 C ATOM 466 CG1 VAL A 34 8.139 4.577 0.828 1.00 0.00 C ATOM 467 CG2 VAL A 34 5.956 3.606 1.444 1.00 0.00 C ATOM 0 H VAL A 34 7.033 1.690 3.360 1.00 0.00 H new ATOM 0 HA VAL A 34 7.710 1.798 0.552 1.00 0.00 H new ATOM 0 HB VAL A 34 7.661 3.812 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.716 5.565 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.208 4.597 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.980 4.297 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.591 4.623 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.780 3.298 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.427 2.933 2.119 1.00 0.00 H new ATOM 477 N THR A 35 10.148 2.005 2.796 1.00 0.00 N ATOM 478 CA THR A 35 11.623 1.966 2.906 1.00 0.00 C ATOM 479 C THR A 35 12.227 0.614 2.500 1.00 0.00 C ATOM 480 O THR A 35 13.324 0.571 1.939 1.00 0.00 O ATOM 481 CB THR A 35 12.124 2.478 4.269 1.00 0.00 C ATOM 482 OG1 THR A 35 13.394 3.075 4.100 1.00 0.00 O ATOM 483 CG2 THR A 35 12.260 1.422 5.368 1.00 0.00 C ATOM 0 H THR A 35 9.657 1.974 3.690 1.00 0.00 H new ATOM 0 HA THR A 35 12.000 2.672 2.166 1.00 0.00 H new ATOM 0 HB THR A 35 11.355 3.175 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.718 3.405 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.620 1.893 6.283 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.289 0.963 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.969 0.657 5.051 1.00 0.00 H new ATOM 491 N LEU A 36 11.500 -0.492 2.701 1.00 0.00 N ATOM 492 CA LEU A 36 11.915 -1.842 2.286 1.00 0.00 C ATOM 493 C LEU A 36 11.669 -2.143 0.792 1.00 0.00 C ATOM 494 O LEU A 36 12.287 -3.057 0.241 1.00 0.00 O ATOM 495 CB LEU A 36 11.221 -2.888 3.185 1.00 0.00 C ATOM 496 CG LEU A 36 11.587 -2.815 4.681 1.00 0.00 C ATOM 497 CD1 LEU A 36 10.836 -3.913 5.432 1.00 0.00 C ATOM 498 CD2 LEU A 36 13.086 -2.974 4.933 1.00 0.00 C ATOM 0 H LEU A 36 10.591 -0.476 3.164 1.00 0.00 H new ATOM 0 HA LEU A 36 12.996 -1.896 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.142 -2.770 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.469 -3.883 2.815 1.00 0.00 H new ATOM 0 HG LEU A 36 11.301 -1.826 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.090 -3.868 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.763 -3.769 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.119 -4.887 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.283 -2.914 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.418 -3.942 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.628 -2.180 4.419 1.00 0.00 H new ATOM 510 N LEU A 37 10.794 -1.377 0.123 1.00 0.00 N ATOM 511 CA LEU A 37 10.483 -1.515 -1.308 1.00 0.00 C ATOM 512 C LEU A 37 11.644 -1.102 -2.230 1.00 0.00 C ATOM 513 O LEU A 37 11.826 -1.701 -3.293 1.00 0.00 O ATOM 514 CB LEU A 37 9.243 -0.645 -1.589 1.00 0.00 C ATOM 515 CG LEU A 37 8.863 -0.440 -3.066 1.00 0.00 C ATOM 516 CD1 LEU A 37 8.383 -1.728 -3.718 1.00 0.00 C ATOM 517 CD2 LEU A 37 7.738 0.584 -3.149 1.00 0.00 C ATOM 0 H LEU A 37 10.270 -0.626 0.573 1.00 0.00 H new ATOM 0 HA LEU A 37 10.300 -2.567 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.391 -1.092 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.406 0.335 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 37 9.755 -0.100 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.126 -1.535 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.175 -2.476 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.504 -2.097 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.461 0.737 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.873 0.221 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.073 1.529 -2.721 1.00 0.00 H new ATOM 529 N THR A 38 12.389 -0.060 -1.844 1.00 0.00 N ATOM 530 CA THR A 38 13.194 0.783 -2.747 1.00 0.00 C ATOM 531 C THR A 38 12.310 1.383 -3.863 1.00 0.00 C ATOM 532 O THR A 38 12.241 0.832 -4.968 1.00 0.00 O ATOM 533 CB THR A 38 14.443 0.054 -3.285 1.00 0.00 C ATOM 534 OG1 THR A 38 15.191 -0.495 -2.214 1.00 0.00 O ATOM 535 CG2 THR A 38 15.396 1.002 -4.021 1.00 0.00 C ATOM 0 H THR A 38 12.453 0.231 -0.869 1.00 0.00 H new ATOM 0 HA THR A 38 13.586 1.616 -2.164 1.00 0.00 H new ATOM 0 HB THR A 38 14.072 -0.713 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.980 -0.956 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.260 0.443 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.878 1.454 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.729 1.785 -3.339 1.00 0.00 H new ATOM 543 N PRO A 39 11.570 2.479 -3.581 1.00 0.00 N ATOM 544 CA PRO A 39 10.519 3.009 -4.454 1.00 0.00 C ATOM 545 C PRO A 39 11.005 3.534 -5.817 1.00 0.00 C ATOM 546 O PRO A 39 12.182 3.868 -5.999 1.00 0.00 O ATOM 547 CB PRO A 39 9.832 4.139 -3.668 1.00 0.00 C ATOM 548 CG PRO A 39 10.152 3.814 -2.216 1.00 0.00 C ATOM 549 CD PRO A 39 11.540 3.197 -2.310 1.00 0.00 C ATOM 0 HA PRO A 39 9.846 2.190 -4.708 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.218 5.118 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.757 4.155 -3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.147 4.707 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.429 3.120 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.313 3.965 -2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.725 2.522 -1.475 1.00 0.00 H new ATOM 557 N ARG A 40 10.056 3.698 -6.748 1.00 0.00 N ATOM 558 CA ARG A 40 10.240 4.448 -8.005 1.00 0.00 C ATOM 559 C ARG A 40 10.623 5.908 -7.720 1.00 0.00 C ATOM 560 O ARG A 40 10.103 6.509 -6.775 1.00 0.00 O ATOM 561 CB ARG A 40 8.951 4.379 -8.843 1.00 0.00 C ATOM 562 CG ARG A 40 8.705 2.975 -9.427 1.00 0.00 C ATOM 563 CD ARG A 40 7.428 2.928 -10.286 1.00 0.00 C ATOM 564 NE ARG A 40 6.195 2.896 -9.472 1.00 0.00 N ATOM 565 CZ ARG A 40 5.369 3.890 -9.190 1.00 0.00 C ATOM 566 NH1 ARG A 40 5.554 5.126 -9.564 1.00 0.00 N ATOM 567 NH2 ARG A 40 4.299 3.660 -8.500 1.00 0.00 N ATOM 0 H ARG A 40 9.119 3.307 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 40 11.055 3.994 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.102 4.665 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.010 5.103 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.561 2.678 -10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.623 2.253 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.403 3.799 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.458 2.047 -10.927 1.00 0.00 H new ATOM 0 HE ARG A 40 5.949 1.989 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.379 5.376 -10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.874 5.843 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.095 2.715 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.660 4.424 -8.281 1.00 0.00 H new ATOM 581 N ARG A 41 11.510 6.484 -8.542 1.00 0.00 N ATOM 582 CA ARG A 41 12.074 7.841 -8.378 1.00 0.00 C ATOM 583 C ARG A 41 11.822 8.718 -9.611 1.00 0.00 C ATOM 584 O ARG A 41 12.061 8.277 -10.734 1.00 0.00 O ATOM 585 CB ARG A 41 13.574 7.719 -8.043 1.00 0.00 C ATOM 586 CG ARG A 41 14.241 9.037 -7.608 1.00 0.00 C ATOM 587 CD ARG A 41 13.757 9.519 -6.235 1.00 0.00 C ATOM 588 NE ARG A 41 14.303 10.850 -5.920 1.00 0.00 N ATOM 589 CZ ARG A 41 15.328 11.156 -5.144 1.00 0.00 C ATOM 590 NH1 ARG A 41 16.046 10.259 -4.531 1.00 0.00 N ATOM 591 NH2 ARG A 41 15.643 12.409 -4.989 1.00 0.00 N ATOM 0 H ARG A 41 11.870 6.007 -9.368 1.00 0.00 H new ATOM 0 HA ARG A 41 11.569 8.344 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.697 6.984 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 41 14.098 7.333 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.322 8.901 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.035 9.807 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.668 9.557 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.061 8.807 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 41 13.828 11.639 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.827 9.269 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.828 10.547 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.102 13.133 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.431 12.667 -4.394 1.00 0.00 H new ATOM 605 N GLY A 42 11.352 9.948 -9.390 1.00 0.00 N ATOM 606 CA GLY A 42 11.106 10.958 -10.430 1.00 0.00 C ATOM 607 C GLY A 42 12.198 12.036 -10.500 1.00 0.00 C ATOM 608 O GLY A 42 12.638 12.392 -11.597 1.00 0.00 O ATOM 0 H GLY A 42 11.124 10.282 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.032 10.462 -11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.145 11.436 -10.242 1.00 0.00 H new ATOM 612 N GLY A 43 12.658 12.536 -9.347 1.00 0.00 N ATOM 613 CA GLY A 43 13.697 13.578 -9.261 1.00 0.00 C ATOM 614 C GLY A 43 13.838 14.193 -7.864 1.00 0.00 C ATOM 615 O GLY A 43 13.668 13.509 -6.853 1.00 0.00 O ATOM 0 H GLY A 43 12.318 12.228 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.654 13.150 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.466 14.369 -9.975 1.00 0.00 H new ATOM 619 N GLY A 44 14.133 15.498 -7.795 1.00 0.00 N ATOM 620 CA GLY A 44 14.315 16.247 -6.541 1.00 0.00 C ATOM 621 C GLY A 44 13.065 16.347 -5.651 1.00 0.00 C ATOM 622 O GLY A 44 13.176 16.581 -4.443 1.00 0.00 O ATOM 0 H GLY A 44 14.255 16.076 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.113 15.776 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.650 17.255 -6.784 1.00 0.00 H new ATOM 626 N SER A 45 11.878 16.110 -6.224 1.00 0.00 N ATOM 627 CA SER A 45 10.592 16.025 -5.506 1.00 0.00 C ATOM 628 C SER A 45 10.283 14.618 -4.954 1.00 0.00 C ATOM 629 O SER A 45 9.199 14.395 -4.405 1.00 0.00 O ATOM 630 CB SER A 45 9.450 16.524 -6.409 1.00 0.00 C ATOM 631 OG SER A 45 9.651 17.884 -6.784 1.00 0.00 O ATOM 0 H SER A 45 11.779 15.967 -7.229 1.00 0.00 H new ATOM 0 HA SER A 45 10.678 16.672 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.390 15.902 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.499 16.424 -5.886 1.00 0.00 H new ATOM 0 HG SER A 45 8.913 18.177 -7.359 1.00 0.00 H new ATOM 637 N GLY A 46 11.207 13.656 -5.088 1.00 0.00 N ATOM 638 CA GLY A 46 11.015 12.252 -4.702 1.00 0.00 C ATOM 639 C GLY A 46 10.465 11.396 -5.843 1.00 0.00 C ATOM 640 O GLY A 46 10.959 11.475 -6.974 1.00 0.00 O ATOM 0 H GLY A 46 12.132 13.838 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.967 11.838 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.332 12.203 -3.854 1.00 0.00 H new ATOM 644 N GLY A 47 9.474 10.553 -5.552 1.00 0.00 N ATOM 645 CA GLY A 47 8.797 9.696 -6.533 1.00 0.00 C ATOM 646 C GLY A 47 7.902 10.446 -7.536 1.00 0.00 C ATOM 647 O GLY A 47 7.553 11.614 -7.342 1.00 0.00 O ATOM 0 H GLY A 47 9.109 10.442 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.551 9.137 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.188 8.967 -5.999 1.00 0.00 H new ATOM 651 N GLY A 48 7.530 9.758 -8.620 1.00 0.00 N ATOM 652 CA GLY A 48 6.560 10.232 -9.619 1.00 0.00 C ATOM 653 C GLY A 48 5.099 10.047 -9.179 1.00 0.00 C ATOM 654 O GLY A 48 4.791 9.962 -7.985 1.00 0.00 O ATOM 0 H GLY A 48 7.903 8.833 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.741 11.288 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.721 9.697 -10.555 1.00 0.00 H new ATOM 658 N SER A 49 4.191 9.952 -10.158 1.00 0.00 N ATOM 659 CA SER A 49 2.762 9.665 -9.935 1.00 0.00 C ATOM 660 C SER A 49 2.540 8.302 -9.250 1.00 0.00 C ATOM 661 O SER A 49 3.302 7.351 -9.464 1.00 0.00 O ATOM 662 CB SER A 49 1.993 9.712 -11.261 1.00 0.00 C ATOM 663 OG SER A 49 2.156 10.975 -11.896 1.00 0.00 O ATOM 0 H SER A 49 4.428 10.073 -11.143 1.00 0.00 H new ATOM 0 HA SER A 49 2.383 10.437 -9.265 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.348 8.920 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.935 9.525 -11.079 1.00 0.00 H new ATOM 0 HG SER A 49 1.659 10.983 -12.741 1.00 0.00 H new ATOM 669 N MET A 50 1.479 8.213 -8.434 1.00 0.00 N ATOM 670 CA MET A 50 1.151 7.076 -7.553 1.00 0.00 C ATOM 671 C MET A 50 2.368 6.626 -6.728 1.00 0.00 C ATOM 672 O MET A 50 3.004 5.617 -7.032 1.00 0.00 O ATOM 673 CB MET A 50 0.506 5.918 -8.339 1.00 0.00 C ATOM 674 CG MET A 50 -0.772 6.328 -9.076 1.00 0.00 C ATOM 675 SD MET A 50 -1.591 4.957 -9.938 1.00 0.00 S ATOM 676 CE MET A 50 -3.021 5.833 -10.623 1.00 0.00 C ATOM 0 H MET A 50 0.793 8.965 -8.365 1.00 0.00 H new ATOM 0 HA MET A 50 0.404 7.419 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.226 5.532 -9.061 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.276 5.104 -7.651 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.469 6.763 -8.360 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.530 7.107 -9.799 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.638 5.135 -11.189 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.608 6.261 -9.811 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.678 6.630 -11.282 1.00 0.00 H new ATOM 686 N ASP A 51 2.727 7.379 -5.687 1.00 0.00 N ATOM 687 CA ASP A 51 3.826 7.027 -4.788 1.00 0.00 C ATOM 688 C ASP A 51 3.459 5.828 -3.891 1.00 0.00 C ATOM 689 O ASP A 51 2.295 5.658 -3.507 1.00 0.00 O ATOM 690 CB ASP A 51 4.217 8.257 -3.957 1.00 0.00 C ATOM 691 CG ASP A 51 5.523 8.032 -3.180 1.00 0.00 C ATOM 692 OD1 ASP A 51 5.472 7.464 -2.065 1.00 0.00 O ATOM 693 OD2 ASP A 51 6.601 8.408 -3.703 1.00 0.00 O ATOM 0 H ASP A 51 2.262 8.253 -5.443 1.00 0.00 H new ATOM 0 HA ASP A 51 4.685 6.718 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.330 9.119 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.415 8.493 -3.258 1.00 0.00 H new ATOM 698 N ALA A 52 4.460 5.027 -3.511 1.00 0.00 N ATOM 699 CA ALA A 52 4.289 3.868 -2.635 1.00 0.00 C ATOM 700 C ALA A 52 3.604 4.220 -1.294 1.00 0.00 C ATOM 701 O ALA A 52 2.808 3.426 -0.795 1.00 0.00 O ATOM 702 CB ALA A 52 5.665 3.220 -2.430 1.00 0.00 C ATOM 0 H ALA A 52 5.425 5.170 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 52 3.612 3.159 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.565 2.352 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.067 2.907 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.342 3.941 -1.972 1.00 0.00 H new ATOM 708 N LYS A 53 3.834 5.428 -0.751 1.00 0.00 N ATOM 709 CA LYS A 53 3.163 5.959 0.448 1.00 0.00 C ATOM 710 C LYS A 53 1.640 5.977 0.306 1.00 0.00 C ATOM 711 O LYS A 53 0.932 5.492 1.189 1.00 0.00 O ATOM 712 CB LYS A 53 3.716 7.373 0.711 1.00 0.00 C ATOM 713 CG LYS A 53 3.113 8.099 1.927 1.00 0.00 C ATOM 714 CD LYS A 53 3.306 7.394 3.276 1.00 0.00 C ATOM 715 CE LYS A 53 4.770 7.127 3.656 1.00 0.00 C ATOM 716 NZ LYS A 53 5.518 8.378 3.949 1.00 0.00 N ATOM 0 H LYS A 53 4.511 6.081 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 53 3.371 5.305 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.795 7.304 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.546 7.983 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.553 9.094 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.045 8.233 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.847 8.001 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.771 6.444 3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.803 6.475 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.262 6.595 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.500 8.145 4.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.512 8.991 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.066 8.875 4.743 1.00 0.00 H new ATOM 730 N GLU A 54 1.125 6.496 -0.804 1.00 0.00 N ATOM 731 CA GLU A 54 -0.311 6.521 -1.088 1.00 0.00 C ATOM 732 C GLU A 54 -0.848 5.111 -1.387 1.00 0.00 C ATOM 733 O GLU A 54 -1.913 4.741 -0.893 1.00 0.00 O ATOM 734 CB GLU A 54 -0.593 7.497 -2.242 1.00 0.00 C ATOM 735 CG GLU A 54 -2.100 7.703 -2.456 1.00 0.00 C ATOM 736 CD GLU A 54 -2.431 8.674 -3.607 1.00 0.00 C ATOM 737 OE1 GLU A 54 -1.768 9.730 -3.759 1.00 0.00 O ATOM 738 OE2 GLU A 54 -3.408 8.397 -4.344 1.00 0.00 O ATOM 0 H GLU A 54 1.694 6.915 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.840 6.874 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.121 8.456 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.144 7.116 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.565 6.739 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.541 8.081 -1.534 1.00 0.00 H new ATOM 745 N ILE A 55 -0.103 4.300 -2.142 1.00 0.00 N ATOM 746 CA ILE A 55 -0.498 2.936 -2.520 1.00 0.00 C ATOM 747 C ILE A 55 -0.669 2.030 -1.291 1.00 0.00 C ATOM 748 O ILE A 55 -1.706 1.377 -1.154 1.00 0.00 O ATOM 749 CB ILE A 55 0.508 2.364 -3.544 1.00 0.00 C ATOM 750 CG1 ILE A 55 0.414 3.133 -4.884 1.00 0.00 C ATOM 751 CG2 ILE A 55 0.256 0.865 -3.778 1.00 0.00 C ATOM 752 CD1 ILE A 55 1.679 3.002 -5.740 1.00 0.00 C ATOM 0 H ILE A 55 0.806 4.574 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.477 2.974 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 55 1.512 2.487 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.441 2.763 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.228 4.187 -4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.976 0.484 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.368 0.326 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.754 0.721 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.551 3.563 -6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.533 3.398 -5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.853 1.952 -5.973 1.00 0.00 H new ATOM 764 N LEU A 56 0.292 2.038 -0.355 1.00 0.00 N ATOM 765 CA LEU A 56 0.175 1.303 0.910 1.00 0.00 C ATOM 766 C LEU A 56 -0.965 1.840 1.790 1.00 0.00 C ATOM 767 O LEU A 56 -1.684 1.044 2.390 1.00 0.00 O ATOM 768 CB LEU A 56 1.501 1.327 1.696 1.00 0.00 C ATOM 769 CG LEU A 56 2.506 0.192 1.446 1.00 0.00 C ATOM 770 CD1 LEU A 56 1.861 -1.194 1.498 1.00 0.00 C ATOM 771 CD2 LEU A 56 3.246 0.336 0.127 1.00 0.00 C ATOM 0 H LEU A 56 1.167 2.552 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.061 0.272 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.001 2.271 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.260 1.332 2.759 1.00 0.00 H new ATOM 0 HG LEU A 56 3.222 0.280 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.619 -1.955 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.418 -1.353 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.085 -1.263 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.941 -0.495 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.530 0.331 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.799 1.275 0.121 1.00 0.00 H new ATOM 783 N THR A 57 -1.172 3.159 1.832 1.00 0.00 N ATOM 784 CA THR A 57 -2.274 3.775 2.603 1.00 0.00 C ATOM 785 C THR A 57 -3.636 3.311 2.085 1.00 0.00 C ATOM 786 O THR A 57 -4.475 2.874 2.876 1.00 0.00 O ATOM 787 CB THR A 57 -2.167 5.312 2.605 1.00 0.00 C ATOM 788 OG1 THR A 57 -0.960 5.713 3.215 1.00 0.00 O ATOM 789 CG2 THR A 57 -3.288 5.984 3.400 1.00 0.00 C ATOM 0 H THR A 57 -0.588 3.834 1.338 1.00 0.00 H new ATOM 0 HA THR A 57 -2.182 3.441 3.636 1.00 0.00 H new ATOM 0 HB THR A 57 -2.226 5.613 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.231 5.662 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.160 7.066 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.252 5.718 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.252 5.647 4.436 1.00 0.00 H new ATOM 797 N ARG A 58 -3.852 3.310 0.761 1.00 0.00 N ATOM 798 CA ARG A 58 -5.086 2.809 0.123 1.00 0.00 C ATOM 799 C ARG A 58 -5.276 1.300 0.321 1.00 0.00 C ATOM 800 O ARG A 58 -6.383 0.860 0.629 1.00 0.00 O ATOM 801 CB ARG A 58 -5.105 3.159 -1.373 1.00 0.00 C ATOM 802 CG ARG A 58 -5.237 4.662 -1.662 1.00 0.00 C ATOM 803 CD ARG A 58 -5.224 4.880 -3.180 1.00 0.00 C ATOM 804 NE ARG A 58 -5.288 6.309 -3.540 1.00 0.00 N ATOM 805 CZ ARG A 58 -6.351 7.088 -3.642 1.00 0.00 C ATOM 806 NH1 ARG A 58 -7.558 6.682 -3.371 1.00 0.00 N ATOM 807 NH2 ARG A 58 -6.182 8.314 -4.030 1.00 0.00 N ATOM 0 H ARG A 58 -3.167 3.661 0.091 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.921 3.307 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.188 2.790 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.934 2.634 -1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.162 5.048 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.417 5.209 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.319 4.442 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.069 4.357 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.392 6.756 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.716 5.722 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.345 7.324 -3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.246 8.656 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.985 8.937 -4.117 1.00 0.00 H new ATOM 821 N PHE A 59 -4.207 0.509 0.184 1.00 0.00 N ATOM 822 CA PHE A 59 -4.245 -0.943 0.396 1.00 0.00 C ATOM 823 C PHE A 59 -4.586 -1.309 1.844 1.00 0.00 C ATOM 824 O PHE A 59 -5.440 -2.169 2.069 1.00 0.00 O ATOM 825 CB PHE A 59 -2.897 -1.543 -0.034 1.00 0.00 C ATOM 826 CG PHE A 59 -2.767 -3.034 0.218 1.00 0.00 C ATOM 827 CD1 PHE A 59 -3.594 -3.942 -0.467 1.00 0.00 C ATOM 828 CD2 PHE A 59 -1.845 -3.512 1.170 1.00 0.00 C ATOM 829 CE1 PHE A 59 -3.503 -5.321 -0.193 1.00 0.00 C ATOM 830 CE2 PHE A 59 -1.745 -4.889 1.427 1.00 0.00 C ATOM 831 CZ PHE A 59 -2.573 -5.795 0.745 1.00 0.00 C ATOM 0 H PHE A 59 -3.286 0.859 -0.078 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.043 -1.365 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.750 -1.352 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.097 -1.026 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.298 -3.583 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.213 -2.817 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.151 -6.016 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.030 -5.252 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.494 -6.854 0.942 1.00 0.00 H new ATOM 841 N LYS A 60 -3.994 -0.622 2.832 1.00 0.00 N ATOM 842 CA LYS A 60 -4.245 -0.889 4.256 1.00 0.00 C ATOM 843 C LYS A 60 -5.634 -0.422 4.701 1.00 0.00 C ATOM 844 O LYS A 60 -6.305 -1.136 5.448 1.00 0.00 O ATOM 845 CB LYS A 60 -3.106 -0.307 5.112 1.00 0.00 C ATOM 846 CG LYS A 60 -3.122 -0.931 6.518 1.00 0.00 C ATOM 847 CD LYS A 60 -1.954 -0.434 7.383 1.00 0.00 C ATOM 848 CE LYS A 60 -1.879 -1.235 8.690 1.00 0.00 C ATOM 849 NZ LYS A 60 -3.006 -0.920 9.608 1.00 0.00 N ATOM 0 H LYS A 60 -3.329 0.133 2.667 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.250 -1.968 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.146 -0.500 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.214 0.775 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.065 -0.691 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.074 -2.017 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.018 -0.534 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.082 0.625 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.886 -2.301 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.935 -1.022 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.328 -1.792 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.688 -0.240 10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.791 -0.508 9.065 1.00 0.00 H new ATOM 863 N ASP A 61 -6.114 0.710 4.183 1.00 0.00 N ATOM 864 CA ASP A 61 -7.483 1.213 4.403 1.00 0.00 C ATOM 865 C ASP A 61 -8.572 0.354 3.713 1.00 0.00 C ATOM 866 O ASP A 61 -9.753 0.450 4.062 1.00 0.00 O ATOM 867 CB ASP A 61 -7.529 2.672 3.931 1.00 0.00 C ATOM 868 CG ASP A 61 -8.876 3.355 4.219 1.00 0.00 C ATOM 869 OD1 ASP A 61 -9.205 3.562 5.414 1.00 0.00 O ATOM 870 OD2 ASP A 61 -9.590 3.721 3.256 1.00 0.00 O ATOM 0 H ASP A 61 -5.555 1.320 3.586 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.713 1.148 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.732 3.232 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.332 2.708 2.860 1.00 0.00 H new ATOM 875 N GLY A 62 -8.199 -0.508 2.763 1.00 0.00 N ATOM 876 CA GLY A 62 -9.113 -1.377 2.004 1.00 0.00 C ATOM 877 C GLY A 62 -9.718 -0.721 0.754 1.00 0.00 C ATOM 878 O GLY A 62 -10.621 -1.292 0.138 1.00 0.00 O ATOM 0 H GLY A 62 -7.223 -0.627 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.575 -2.276 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.923 -1.695 2.661 1.00 0.00 H new ATOM 882 N GLY A 63 -9.220 0.456 0.358 1.00 0.00 N ATOM 883 CA GLY A 63 -9.579 1.144 -0.888 1.00 0.00 C ATOM 884 C GLY A 63 -8.862 0.615 -2.143 1.00 0.00 C ATOM 885 O GLY A 63 -9.177 1.036 -3.256 1.00 0.00 O ATOM 0 H GLY A 63 -8.536 0.971 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.655 1.058 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.356 2.205 -0.779 1.00 0.00 H new ATOM 889 N LEU A 64 -7.895 -0.297 -1.974 1.00 0.00 N ATOM 890 CA LEU A 64 -7.123 -0.961 -3.026 1.00 0.00 C ATOM 891 C LEU A 64 -7.017 -2.469 -2.754 1.00 0.00 C ATOM 892 O LEU A 64 -6.856 -2.883 -1.603 1.00 0.00 O ATOM 893 CB LEU A 64 -5.735 -0.292 -3.089 1.00 0.00 C ATOM 894 CG LEU A 64 -4.926 -0.530 -4.374 1.00 0.00 C ATOM 895 CD1 LEU A 64 -5.542 0.243 -5.538 1.00 0.00 C ATOM 896 CD2 LEU A 64 -3.495 -0.019 -4.185 1.00 0.00 C ATOM 0 H LEU A 64 -7.616 -0.607 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.621 -0.855 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.866 0.782 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.146 -0.645 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.931 -1.599 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.959 0.065 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.567 -0.092 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.540 1.309 -5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.924 -0.189 -5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.516 1.048 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.025 -0.552 -3.358 1.00 0.00 H new ATOM 908 N ASP A 65 -7.091 -3.294 -3.801 1.00 0.00 N ATOM 909 CA ASP A 65 -6.902 -4.754 -3.720 1.00 0.00 C ATOM 910 C ASP A 65 -5.431 -5.164 -3.880 1.00 0.00 C ATOM 911 O ASP A 65 -4.628 -4.419 -4.440 1.00 0.00 O ATOM 912 CB ASP A 65 -7.795 -5.476 -4.745 1.00 0.00 C ATOM 913 CG ASP A 65 -9.256 -5.002 -4.705 1.00 0.00 C ATOM 914 OD1 ASP A 65 -10.003 -5.417 -3.784 1.00 0.00 O ATOM 915 OD2 ASP A 65 -9.682 -4.227 -5.594 1.00 0.00 O ATOM 0 H ASP A 65 -7.287 -2.966 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.205 -5.062 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.394 -5.315 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.761 -6.549 -4.556 1.00 0.00 H new ATOM 920 N ARG A 66 -5.072 -6.373 -3.420 1.00 0.00 N ATOM 921 CA ARG A 66 -3.689 -6.904 -3.461 1.00 0.00 C ATOM 922 C ARG A 66 -3.096 -6.918 -4.876 1.00 0.00 C ATOM 923 O ARG A 66 -1.958 -6.490 -5.061 1.00 0.00 O ATOM 924 CB ARG A 66 -3.694 -8.311 -2.834 1.00 0.00 C ATOM 925 CG ARG A 66 -2.306 -8.982 -2.828 1.00 0.00 C ATOM 926 CD ARG A 66 -2.379 -10.407 -2.268 1.00 0.00 C ATOM 927 NE ARG A 66 -2.565 -10.429 -0.806 1.00 0.00 N ATOM 928 CZ ARG A 66 -1.645 -10.706 0.109 1.00 0.00 C ATOM 929 NH1 ARG A 66 -0.413 -10.994 -0.179 1.00 0.00 N ATOM 930 NH2 ARG A 66 -1.947 -10.711 1.371 1.00 0.00 N ATOM 0 H ARG A 66 -5.739 -7.022 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.042 -6.240 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.061 -8.243 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.393 -8.943 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.908 -9.007 -3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.615 -8.388 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.202 -10.939 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.464 -10.942 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.499 -10.208 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.108 -11.016 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.251 -11.199 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.900 -10.501 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.232 -10.925 2.066 1.00 0.00 H new ATOM 944 N ALA A 67 -3.873 -7.335 -5.876 1.00 0.00 N ATOM 945 CA ALA A 67 -3.441 -7.377 -7.272 1.00 0.00 C ATOM 946 C ALA A 67 -3.106 -5.977 -7.819 1.00 0.00 C ATOM 947 O ALA A 67 -2.088 -5.797 -8.494 1.00 0.00 O ATOM 948 CB ALA A 67 -4.541 -8.058 -8.088 1.00 0.00 C ATOM 0 H ALA A 67 -4.831 -7.657 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.516 -7.949 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.243 -8.102 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.699 -9.069 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.466 -7.489 -7.998 1.00 0.00 H new ATOM 954 N ALA A 68 -3.915 -4.966 -7.473 1.00 0.00 N ATOM 955 CA ALA A 68 -3.658 -3.576 -7.825 1.00 0.00 C ATOM 956 C ALA A 68 -2.488 -2.979 -7.019 1.00 0.00 C ATOM 957 O ALA A 68 -1.685 -2.233 -7.576 1.00 0.00 O ATOM 958 CB ALA A 68 -4.953 -2.777 -7.648 1.00 0.00 C ATOM 0 H ALA A 68 -4.772 -5.099 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.347 -3.522 -8.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.775 -1.734 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.725 -3.187 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.281 -2.841 -6.611 1.00 0.00 H new ATOM 964 N ALA A 69 -2.331 -3.335 -5.742 1.00 0.00 N ATOM 965 CA ALA A 69 -1.202 -2.900 -4.919 1.00 0.00 C ATOM 966 C ALA A 69 0.139 -3.391 -5.492 1.00 0.00 C ATOM 967 O ALA A 69 1.053 -2.585 -5.669 1.00 0.00 O ATOM 968 CB ALA A 69 -1.419 -3.359 -3.473 1.00 0.00 C ATOM 0 H ALA A 69 -2.989 -3.937 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.152 -1.811 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.579 -3.036 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.340 -2.922 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.493 -4.446 -3.444 1.00 0.00 H new ATOM 974 N GLN A 70 0.246 -4.669 -5.873 1.00 0.00 N ATOM 975 CA GLN A 70 1.445 -5.203 -6.545 1.00 0.00 C ATOM 976 C GLN A 70 1.710 -4.497 -7.887 1.00 0.00 C ATOM 977 O GLN A 70 2.844 -4.103 -8.160 1.00 0.00 O ATOM 978 CB GLN A 70 1.313 -6.715 -6.787 1.00 0.00 C ATOM 979 CG GLN A 70 1.259 -7.559 -5.508 1.00 0.00 C ATOM 980 CD GLN A 70 0.907 -9.015 -5.823 1.00 0.00 C ATOM 981 OE1 GLN A 70 -0.253 -9.380 -5.965 1.00 0.00 O ATOM 982 NE2 GLN A 70 1.866 -9.899 -5.988 1.00 0.00 N ATOM 0 H GLN A 70 -0.489 -5.361 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 70 2.288 -5.014 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.410 -6.900 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.156 -7.049 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.222 -7.516 -5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.519 -7.142 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.841 -9.621 -5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.635 -10.863 -6.229 1.00 0.00 H new ATOM 991 N ALA A 71 0.666 -4.295 -8.703 1.00 0.00 N ATOM 992 CA ALA A 71 0.769 -3.618 -9.996 1.00 0.00 C ATOM 993 C ALA A 71 1.324 -2.193 -9.857 1.00 0.00 C ATOM 994 O ALA A 71 2.319 -1.840 -10.495 1.00 0.00 O ATOM 995 CB ALA A 71 -0.617 -3.595 -10.656 1.00 0.00 C ATOM 0 H ALA A 71 -0.281 -4.601 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 71 1.471 -4.169 -10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.552 -3.092 -11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.968 -4.617 -10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.317 -3.059 -10.014 1.00 0.00 H new ATOM 1001 N LEU A 72 0.714 -1.388 -8.985 1.00 0.00 N ATOM 1002 CA LEU A 72 1.037 0.020 -8.790 1.00 0.00 C ATOM 1003 C LEU A 72 2.403 0.214 -8.113 1.00 0.00 C ATOM 1004 O LEU A 72 3.145 1.118 -8.493 1.00 0.00 O ATOM 1005 CB LEU A 72 -0.113 0.665 -7.994 1.00 0.00 C ATOM 1006 CG LEU A 72 -1.337 1.093 -8.824 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -1.782 0.183 -9.969 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -2.549 1.245 -7.913 1.00 0.00 C ATOM 0 H LEU A 72 -0.040 -1.711 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 72 1.130 0.514 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.442 -0.039 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.275 1.541 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.989 2.016 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.654 0.615 -10.459 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.971 0.084 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.038 -0.800 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.413 1.548 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.759 0.293 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.343 2.003 -7.157 1.00 0.00 H new ATOM 1020 N LEU A 73 2.801 -0.661 -7.179 1.00 0.00 N ATOM 1021 CA LEU A 73 4.156 -0.640 -6.615 1.00 0.00 C ATOM 1022 C LEU A 73 5.235 -0.993 -7.658 1.00 0.00 C ATOM 1023 O LEU A 73 6.297 -0.371 -7.676 1.00 0.00 O ATOM 1024 CB LEU A 73 4.234 -1.563 -5.390 1.00 0.00 C ATOM 1025 CG LEU A 73 3.471 -1.052 -4.151 1.00 0.00 C ATOM 1026 CD1 LEU A 73 3.639 -2.032 -2.991 1.00 0.00 C ATOM 1027 CD2 LEU A 73 3.940 0.331 -3.697 1.00 0.00 C ATOM 0 H LEU A 73 2.202 -1.393 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 73 4.365 0.381 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.841 -2.542 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.282 -1.703 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 73 2.423 -0.973 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.097 -1.662 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.244 -3.006 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.697 -2.127 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.368 0.640 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.999 0.291 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.787 1.050 -4.502 1.00 0.00 H new ATOM 1039 N ALA A 74 4.935 -1.901 -8.590 1.00 0.00 N ATOM 1040 CA ALA A 74 5.788 -2.206 -9.745 1.00 0.00 C ATOM 1041 C ALA A 74 5.755 -1.144 -10.876 1.00 0.00 C ATOM 1042 O ALA A 74 6.573 -1.199 -11.796 1.00 0.00 O ATOM 1043 CB ALA A 74 5.427 -3.609 -10.252 1.00 0.00 C ATOM 0 H ALA A 74 4.079 -2.455 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 74 6.824 -2.179 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.050 -3.857 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.597 -4.337 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.378 -3.631 -10.546 1.00 0.00 H new ATOM 1049 N GLY A 75 4.827 -0.174 -10.823 1.00 0.00 N ATOM 1050 CA GLY A 75 4.641 0.881 -11.838 1.00 0.00 C ATOM 1051 C GLY A 75 3.777 0.486 -13.047 1.00 0.00 C ATOM 1052 O GLY A 75 3.749 1.205 -14.048 1.00 0.00 O ATOM 0 H GLY A 75 4.165 -0.099 -10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.189 1.749 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.621 1.191 -12.199 1.00 0.00 H new ATOM 1056 N ARG A 76 3.072 -0.648 -12.969 1.00 0.00 N ATOM 1057 CA ARG A 76 2.101 -1.160 -13.959 1.00 0.00 C ATOM 1058 C ARG A 76 0.697 -0.575 -13.725 1.00 0.00 C ATOM 1059 O ARG A 76 0.446 0.067 -12.703 1.00 0.00 O ATOM 1060 CB ARG A 76 2.072 -2.703 -13.899 1.00 0.00 C ATOM 1061 CG ARG A 76 3.440 -3.356 -14.166 1.00 0.00 C ATOM 1062 CD ARG A 76 3.312 -4.883 -14.135 1.00 0.00 C ATOM 1063 NE ARG A 76 4.599 -5.540 -14.444 1.00 0.00 N ATOM 1064 CZ ARG A 76 4.800 -6.826 -14.653 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.836 -7.703 -14.586 1.00 0.00 N ATOM 1066 NH2 ARG A 76 5.984 -7.266 -14.959 1.00 0.00 N ATOM 0 H ARG A 76 3.165 -1.274 -12.169 1.00 0.00 H new ATOM 0 HA ARG A 76 2.418 -0.845 -14.953 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.716 -3.013 -12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.353 -3.073 -14.630 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.821 -3.035 -15.135 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.160 -3.029 -13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.967 -5.200 -13.151 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.558 -5.201 -14.855 1.00 0.00 H new ATOM 0 HE ARG A 76 5.418 -4.935 -14.502 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.887 -7.402 -14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.032 -8.690 -14.754 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.765 -6.615 -15.039 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.132 -8.262 -15.119 1.00 0.00 H new ATOM 1080 N THR A 77 -0.237 -0.823 -14.643 1.00 0.00 N ATOM 1081 CA THR A 77 -1.683 -0.585 -14.450 1.00 0.00 C ATOM 1082 C THR A 77 -2.374 -1.784 -13.765 1.00 0.00 C ATOM 1083 O THR A 77 -1.866 -2.911 -13.860 1.00 0.00 O ATOM 1084 CB THR A 77 -2.379 -0.273 -15.791 1.00 0.00 C ATOM 1085 OG1 THR A 77 -2.061 -1.247 -16.765 1.00 0.00 O ATOM 1086 CG2 THR A 77 -1.938 1.092 -16.319 1.00 0.00 C ATOM 0 H THR A 77 -0.014 -1.203 -15.563 1.00 0.00 H new ATOM 0 HA THR A 77 -1.777 0.281 -13.795 1.00 0.00 H new ATOM 0 HB THR A 77 -3.453 -0.275 -15.607 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.515 -1.029 -17.606 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.439 1.295 -17.265 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.201 1.864 -15.596 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.859 1.091 -16.473 1.00 0.00 H new ATOM 1094 N PRO A 78 -3.528 -1.595 -13.086 1.00 0.00 N ATOM 1095 CA PRO A 78 -4.276 -2.678 -12.437 1.00 0.00 C ATOM 1096 C PRO A 78 -4.646 -3.830 -13.391 1.00 0.00 C ATOM 1097 O PRO A 78 -4.953 -3.605 -14.564 1.00 0.00 O ATOM 1098 CB PRO A 78 -5.533 -2.028 -11.842 1.00 0.00 C ATOM 1099 CG PRO A 78 -5.102 -0.584 -11.611 1.00 0.00 C ATOM 1100 CD PRO A 78 -4.169 -0.323 -12.793 1.00 0.00 C ATOM 0 HA PRO A 78 -3.654 -3.146 -11.674 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.380 -2.091 -12.525 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.835 -2.512 -10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.953 0.098 -11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.591 -0.461 -10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.726 0.041 -13.656 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.430 0.439 -12.546 1.00 0.00 H new ATOM 1108 N ALA A 79 -4.644 -5.060 -12.873 1.00 0.00 N ATOM 1109 CA ALA A 79 -4.913 -6.294 -13.619 1.00 0.00 C ATOM 1110 C ALA A 79 -5.595 -7.366 -12.745 1.00 0.00 C ATOM 1111 O ALA A 79 -5.635 -7.256 -11.515 1.00 0.00 O ATOM 1112 CB ALA A 79 -3.578 -6.802 -14.188 1.00 0.00 C ATOM 0 H ALA A 79 -4.448 -5.232 -11.887 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.612 -6.083 -14.428 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.748 -7.721 -14.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.153 -6.047 -14.849 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.885 -6.999 -13.370 1.00 0.00 H new ATOM 1118 N ALA A 80 -6.107 -8.422 -13.385 1.00 0.00 N ATOM 1119 CA ALA A 80 -6.690 -9.609 -12.753 1.00 0.00 C ATOM 1120 C ALA A 80 -6.273 -10.899 -13.486 1.00 0.00 C ATOM 1121 O ALA A 80 -6.030 -10.889 -14.697 1.00 0.00 O ATOM 1122 CB ALA A 80 -8.216 -9.458 -12.732 1.00 0.00 C ATOM 0 H ALA A 80 -6.127 -8.475 -14.403 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.317 -9.690 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.662 -10.335 -12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.486 -8.567 -12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.586 -9.364 -13.753 1.00 0.00 H new ATOM 1128 N ALA A 81 -6.228 -12.023 -12.763 1.00 0.00 N ATOM 1129 CA ALA A 81 -5.911 -13.333 -13.331 1.00 0.00 C ATOM 1130 C ALA A 81 -7.149 -13.959 -14.028 1.00 0.00 C ATOM 1131 O ALA A 81 -8.207 -14.043 -13.394 1.00 0.00 O ATOM 1132 CB ALA A 81 -5.353 -14.240 -12.226 1.00 0.00 C ATOM 0 H ALA A 81 -6.412 -12.047 -11.760 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.150 -13.218 -14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.115 -15.218 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.450 -13.793 -11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.097 -14.354 -11.438 1.00 0.00 H new ATOM 1138 N PRO A 82 -7.057 -14.430 -15.291 1.00 0.00 N ATOM 1139 CA PRO A 82 -8.158 -15.052 -16.034 1.00 0.00 C ATOM 1140 C PRO A 82 -8.353 -16.529 -15.616 1.00 0.00 C ATOM 1141 O PRO A 82 -8.136 -17.464 -16.399 1.00 0.00 O ATOM 1142 CB PRO A 82 -7.788 -14.848 -17.510 1.00 0.00 C ATOM 1143 CG PRO A 82 -6.267 -14.933 -17.495 1.00 0.00 C ATOM 1144 CD PRO A 82 -5.909 -14.252 -16.173 1.00 0.00 C ATOM 0 HA PRO A 82 -9.130 -14.605 -15.827 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.229 -15.615 -18.147 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.135 -13.885 -17.884 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.918 -15.965 -17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.824 -14.420 -18.349 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.013 -14.696 -15.738 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.698 -13.194 -16.326 1.00 0.00 H new ATOM 1152 N ARG A 83 -8.723 -16.753 -14.347 1.00 0.00 N ATOM 1153 CA ARG A 83 -8.890 -18.079 -13.720 1.00 0.00 C ATOM 1154 C ARG A 83 -10.094 -18.861 -14.291 1.00 0.00 C ATOM 1155 O ARG A 83 -11.089 -18.231 -14.679 1.00 0.00 O ATOM 1156 CB ARG A 83 -9.017 -17.907 -12.190 1.00 0.00 C ATOM 1157 CG ARG A 83 -7.706 -17.413 -11.545 1.00 0.00 C ATOM 1158 CD ARG A 83 -7.842 -17.176 -10.035 1.00 0.00 C ATOM 1159 NE ARG A 83 -8.118 -18.422 -9.281 1.00 0.00 N ATOM 1160 CZ ARG A 83 -7.246 -19.309 -8.837 1.00 0.00 C ATOM 1161 NH1 ARG A 83 -5.964 -19.179 -9.032 1.00 0.00 N ATOM 1162 NH2 ARG A 83 -7.654 -20.359 -8.187 1.00 0.00 N ATOM 0 H ARG A 83 -8.923 -15.989 -13.702 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.006 -18.674 -13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.816 -17.199 -11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.303 -18.859 -11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.919 -18.146 -11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.395 -16.486 -12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.924 -16.725 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.646 -16.462 -9.855 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.099 -18.618 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.605 -18.372 -9.542 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.320 -19.884 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.650 -20.499 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.978 -21.042 -7.846 1.00 0.00 H new ATOM 1176 N PRO A 84 -10.042 -20.211 -14.332 1.00 0.00 N ATOM 1177 CA PRO A 84 -11.143 -21.066 -14.800 1.00 0.00 C ATOM 1178 C PRO A 84 -12.380 -21.017 -13.874 1.00 0.00 C ATOM 1179 O PRO A 84 -12.216 -20.940 -12.633 1.00 0.00 O ATOM 1180 CB PRO A 84 -10.547 -22.475 -14.910 1.00 0.00 C ATOM 1181 CG PRO A 84 -9.431 -22.471 -13.866 1.00 0.00 C ATOM 1182 CD PRO A 84 -8.906 -21.036 -13.936 1.00 0.00 C ATOM 1183 OXT PRO A 84 -13.518 -21.072 -14.395 1.00 0.00 O ATOM 0 HA PRO A 84 -11.526 -20.719 -15.760 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.291 -23.243 -14.700 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.161 -22.671 -15.910 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.806 -22.716 -12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.654 -23.198 -14.102 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.510 -20.718 -12.972 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.093 -20.953 -14.657 1.00 0.00 H new TER 1191 PRO A 84