USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 479 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 27 THR OG1 : rot -84:sc= -0.206 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.218 X(o=0.012,f=-0.053) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= 0.779 (180deg=0.394) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 48:sc= 0.00103 USER MOD Single : A 47 ASN :FLIP amide:sc=-0.000219 F(o=-1.5,f=-0.00022) USER MOD Single : A 54 SER OG : rot 74:sc= 1.23 USER MOD Single : A 57 SER OG : rot 66:sc= 0.758 USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 49:sc= 0.267 USER MOD Single : A 74 SER OG : rot 51:sc= 0.974 USER MOD Single : A 81 ASN :FLIP amide:sc= 0.48 F(o=-0.19,f=0.48) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0876 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.037 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 2.030 -2.636 -2.709 1.00 0.00 N ATOM 20 CA ALA A 22 1.432 -3.313 -3.887 1.00 0.00 C ATOM 21 C ALA A 22 2.290 -3.123 -5.157 1.00 0.00 C ATOM 22 O ALA A 22 2.357 -2.016 -5.717 1.00 0.00 O ATOM 23 CB ALA A 22 -0.030 -2.882 -4.122 1.00 0.00 C ATOM 0 HA ALA A 22 1.419 -4.379 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.427 -3.402 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.628 -3.133 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.069 -1.806 -4.292 1.00 0.00 H new ATOM 29 N ALA A 23 2.951 -4.210 -5.599 1.00 0.00 N ATOM 30 CA ALA A 23 3.781 -4.215 -6.819 1.00 0.00 C ATOM 31 C ALA A 23 2.923 -3.904 -8.057 1.00 0.00 C ATOM 32 O ALA A 23 1.823 -4.451 -8.202 1.00 0.00 O ATOM 33 CB ALA A 23 4.485 -5.573 -6.974 1.00 0.00 C ATOM 0 H ALA A 23 2.925 -5.110 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 23 4.540 -3.438 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.095 -5.566 -7.877 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.122 -5.754 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.738 -6.364 -7.047 1.00 0.00 H new ATOM 39 N THR A 24 3.421 -3.001 -8.917 1.00 0.00 N ATOM 40 CA THR A 24 2.734 -2.606 -10.154 1.00 0.00 C ATOM 41 C THR A 24 2.692 -3.780 -11.147 1.00 0.00 C ATOM 42 O THR A 24 3.694 -4.477 -11.328 1.00 0.00 O ATOM 43 CB THR A 24 3.446 -1.372 -10.804 1.00 0.00 C ATOM 44 OG1 THR A 24 3.461 -0.282 -9.864 1.00 0.00 O ATOM 45 CG2 THR A 24 2.769 -0.910 -12.110 1.00 0.00 C ATOM 0 H THR A 24 4.312 -2.525 -8.773 1.00 0.00 H new ATOM 0 HA THR A 24 1.710 -2.327 -9.904 1.00 0.00 H new ATOM 0 HB THR A 24 4.460 -1.681 -11.058 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.908 0.492 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.306 -0.052 -12.514 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.785 -1.723 -12.836 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.736 -0.628 -11.904 1.00 0.00 H new ATOM 53 N GLU A 25 1.519 -4.027 -11.756 1.00 0.00 N ATOM 54 CA GLU A 25 1.400 -5.022 -12.824 1.00 0.00 C ATOM 55 C GLU A 25 2.146 -4.500 -14.057 1.00 0.00 C ATOM 56 O GLU A 25 1.794 -3.447 -14.611 1.00 0.00 O ATOM 57 CB GLU A 25 -0.087 -5.306 -13.156 1.00 0.00 C ATOM 58 CG GLU A 25 -0.308 -6.402 -14.222 1.00 0.00 C ATOM 59 CD GLU A 25 -1.793 -6.688 -14.492 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.414 -7.451 -13.716 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.355 -6.142 -15.472 1.00 0.00 O ATOM 0 H GLU A 25 0.647 -3.551 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 25 1.841 -5.964 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.601 -5.599 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.552 -4.382 -13.501 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.172 -6.098 -15.152 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.180 -7.321 -13.897 1.00 0.00 H new ATOM 68 N LEU A 26 3.194 -5.222 -14.450 1.00 0.00 N ATOM 69 CA LEU A 26 3.998 -4.881 -15.619 1.00 0.00 C ATOM 70 C LEU A 26 3.303 -5.456 -16.859 1.00 0.00 C ATOM 71 O LEU A 26 2.977 -6.654 -16.888 1.00 0.00 O ATOM 72 CB LEU A 26 5.448 -5.432 -15.491 1.00 0.00 C ATOM 73 CG LEU A 26 6.488 -4.778 -16.449 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.721 -3.295 -16.085 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.814 -5.557 -16.471 1.00 0.00 C ATOM 0 H LEU A 26 3.509 -6.062 -13.964 1.00 0.00 H new ATOM 0 HA LEU A 26 4.080 -3.797 -15.703 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.784 -5.292 -14.464 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.430 -6.506 -15.677 1.00 0.00 H new ATOM 0 HG LEU A 26 6.072 -4.819 -17.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.451 -2.863 -16.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.781 -2.749 -16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.095 -3.226 -15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.512 -5.068 -17.151 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.240 -5.579 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.631 -6.577 -16.810 1.00 0.00 H new ATOM 87 N THR A 27 3.060 -4.595 -17.855 1.00 0.00 N ATOM 88 CA THR A 27 2.382 -4.978 -19.093 1.00 0.00 C ATOM 89 C THR A 27 3.256 -5.970 -19.896 1.00 0.00 C ATOM 90 O THR A 27 4.486 -5.859 -19.842 1.00 0.00 O ATOM 91 CB THR A 27 2.063 -3.717 -19.964 1.00 0.00 C ATOM 92 OG1 THR A 27 3.286 -3.082 -20.369 1.00 0.00 O ATOM 93 CG2 THR A 27 1.178 -2.703 -19.208 1.00 0.00 C ATOM 0 H THR A 27 3.330 -3.612 -17.822 1.00 0.00 H new ATOM 0 HA THR A 27 1.442 -5.464 -18.832 1.00 0.00 H new ATOM 0 HB THR A 27 1.510 -4.054 -20.841 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.597 -2.486 -19.656 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.981 -1.843 -19.849 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.235 -3.176 -18.935 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.693 -2.373 -18.306 1.00 0.00 H new ATOM 101 N PRO A 28 2.635 -6.966 -20.619 1.00 0.00 N ATOM 102 CA PRO A 28 3.359 -7.898 -21.531 1.00 0.00 C ATOM 103 C PRO A 28 4.384 -7.205 -22.468 1.00 0.00 C ATOM 104 O PRO A 28 5.406 -7.793 -22.822 1.00 0.00 O ATOM 105 CB PRO A 28 2.210 -8.529 -22.348 1.00 0.00 C ATOM 106 CG PRO A 28 1.039 -8.539 -21.414 1.00 0.00 C ATOM 107 CD PRO A 28 1.182 -7.297 -20.556 1.00 0.00 C ATOM 0 HA PRO A 28 3.969 -8.608 -20.973 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.996 -7.947 -23.245 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.464 -9.537 -22.675 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.099 -8.527 -21.966 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.036 -9.440 -20.800 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.571 -6.479 -20.937 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.861 -7.483 -19.531 1.00 0.00 H new ATOM 115 N GLU A 29 4.082 -5.952 -22.846 1.00 0.00 N ATOM 116 CA GLU A 29 4.944 -5.109 -23.689 1.00 0.00 C ATOM 117 C GLU A 29 6.275 -4.808 -22.968 1.00 0.00 C ATOM 118 O GLU A 29 7.360 -5.101 -23.488 1.00 0.00 O ATOM 119 CB GLU A 29 4.189 -3.792 -24.037 1.00 0.00 C ATOM 120 CG GLU A 29 4.965 -2.792 -24.922 1.00 0.00 C ATOM 121 CD GLU A 29 4.145 -1.536 -25.278 1.00 0.00 C ATOM 122 OE1 GLU A 29 3.400 -1.562 -26.282 1.00 0.00 O ATOM 123 OE2 GLU A 29 4.226 -0.526 -24.548 1.00 0.00 O ATOM 0 H GLU A 29 3.216 -5.489 -22.569 1.00 0.00 H new ATOM 0 HA GLU A 29 5.180 -5.638 -24.613 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.258 -4.050 -24.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.919 -3.293 -23.107 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.876 -2.489 -24.405 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.271 -3.291 -25.841 1.00 0.00 H new ATOM 130 N GLN A 30 6.173 -4.242 -21.751 1.00 0.00 N ATOM 131 CA GLN A 30 7.348 -3.866 -20.937 1.00 0.00 C ATOM 132 C GLN A 30 8.110 -5.118 -20.454 1.00 0.00 C ATOM 133 O GLN A 30 9.336 -5.111 -20.362 1.00 0.00 O ATOM 134 CB GLN A 30 6.913 -2.999 -19.731 1.00 0.00 C ATOM 135 CG GLN A 30 6.184 -1.701 -20.110 1.00 0.00 C ATOM 136 CD GLN A 30 5.720 -0.897 -18.892 1.00 0.00 C ATOM 137 OE1 GLN A 30 4.616 -1.102 -18.379 1.00 0.00 O ATOM 138 NE2 GLN A 30 6.551 0.025 -18.421 1.00 0.00 N ATOM 0 H GLN A 30 5.280 -4.033 -21.305 1.00 0.00 H new ATOM 0 HA GLN A 30 8.022 -3.281 -21.563 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.262 -3.592 -19.089 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.796 -2.747 -19.144 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.846 -1.083 -20.716 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.320 -1.944 -20.729 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.457 0.171 -18.867 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.284 0.588 -17.613 1.00 0.00 H new ATOM 147 N ALA A 31 7.350 -6.191 -20.183 1.00 0.00 N ATOM 148 CA ALA A 31 7.885 -7.487 -19.718 1.00 0.00 C ATOM 149 C ALA A 31 8.683 -8.198 -20.829 1.00 0.00 C ATOM 150 O ALA A 31 9.636 -8.932 -20.549 1.00 0.00 O ATOM 151 CB ALA A 31 6.734 -8.372 -19.217 1.00 0.00 C ATOM 0 H ALA A 31 6.335 -6.186 -20.281 1.00 0.00 H new ATOM 0 HA ALA A 31 8.575 -7.301 -18.895 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.132 -9.327 -18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.225 -7.874 -18.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.027 -8.543 -20.029 1.00 0.00 H new ATOM 157 N ALA A 32 8.274 -7.967 -22.090 1.00 0.00 N ATOM 158 CA ALA A 32 8.966 -8.509 -23.276 1.00 0.00 C ATOM 159 C ALA A 32 10.283 -7.751 -23.548 1.00 0.00 C ATOM 160 O ALA A 32 11.206 -8.304 -24.154 1.00 0.00 O ATOM 161 CB ALA A 32 8.045 -8.445 -24.501 1.00 0.00 C ATOM 0 H ALA A 32 7.456 -7.401 -22.316 1.00 0.00 H new ATOM 0 HA ALA A 32 9.216 -9.551 -23.078 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.566 -8.847 -25.370 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.147 -9.033 -24.312 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.766 -7.409 -24.693 1.00 0.00 H new ATOM 167 N ALA A 33 10.349 -6.483 -23.104 1.00 0.00 N ATOM 168 CA ALA A 33 11.538 -5.621 -23.282 1.00 0.00 C ATOM 169 C ALA A 33 12.518 -5.752 -22.095 1.00 0.00 C ATOM 170 O ALA A 33 13.724 -5.516 -22.245 1.00 0.00 O ATOM 171 CB ALA A 33 11.099 -4.161 -23.463 1.00 0.00 C ATOM 0 H ALA A 33 9.582 -6.025 -22.612 1.00 0.00 H new ATOM 0 HA ALA A 33 12.067 -5.950 -24.177 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.978 -3.530 -23.594 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.460 -4.080 -24.342 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.547 -3.835 -22.582 1.00 0.00 H new ATOM 177 N LEU A 34 11.980 -6.107 -20.915 1.00 0.00 N ATOM 178 CA LEU A 34 12.761 -6.262 -19.671 1.00 0.00 C ATOM 179 C LEU A 34 13.043 -7.743 -19.372 1.00 0.00 C ATOM 180 O LEU A 34 12.380 -8.644 -19.900 1.00 0.00 O ATOM 181 CB LEU A 34 12.008 -5.601 -18.473 1.00 0.00 C ATOM 182 CG LEU A 34 11.879 -4.042 -18.518 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.011 -3.514 -17.350 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.273 -3.372 -18.529 1.00 0.00 C ATOM 0 H LEU A 34 10.985 -6.296 -20.795 1.00 0.00 H new ATOM 0 HA LEU A 34 13.718 -5.759 -19.809 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.006 -6.027 -18.420 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.520 -5.877 -17.551 1.00 0.00 H new ATOM 0 HG LEU A 34 11.373 -3.777 -19.446 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.941 -2.428 -17.410 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.012 -3.946 -17.415 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.467 -3.796 -16.401 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.156 -2.289 -18.560 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.818 -3.652 -17.628 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.829 -3.702 -19.407 1.00 0.00 H new ATOM 196 N LYS A 35 14.052 -7.966 -18.522 1.00 0.00 N ATOM 197 CA LYS A 35 14.423 -9.287 -18.010 1.00 0.00 C ATOM 198 C LYS A 35 14.090 -9.336 -16.504 1.00 0.00 C ATOM 199 O LYS A 35 14.554 -8.471 -15.752 1.00 0.00 O ATOM 200 CB LYS A 35 15.944 -9.545 -18.232 1.00 0.00 C ATOM 201 CG LYS A 35 16.448 -10.926 -17.737 1.00 0.00 C ATOM 202 CD LYS A 35 15.853 -12.116 -18.534 1.00 0.00 C ATOM 203 CE LYS A 35 16.293 -13.486 -17.981 1.00 0.00 C ATOM 204 NZ LYS A 35 15.724 -13.748 -16.630 1.00 0.00 N ATOM 0 H LYS A 35 14.645 -7.217 -18.165 1.00 0.00 H new ATOM 0 HA LYS A 35 13.867 -10.060 -18.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.162 -9.454 -19.296 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.509 -8.764 -17.723 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.535 -10.956 -17.810 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.196 -11.041 -16.683 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.765 -12.053 -18.513 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.157 -12.036 -19.578 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.978 -14.273 -18.667 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.381 -13.525 -17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.448 -14.191 -16.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.419 -12.851 -16.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.907 -14.386 -16.715 1.00 0.00 H new ATOM 218 N PRO A 36 13.264 -10.319 -16.035 1.00 0.00 N ATOM 219 CA PRO A 36 13.046 -10.538 -14.589 1.00 0.00 C ATOM 220 C PRO A 36 14.247 -11.252 -13.948 1.00 0.00 C ATOM 221 O PRO A 36 15.045 -11.897 -14.646 1.00 0.00 O ATOM 222 CB PRO A 36 11.779 -11.410 -14.556 1.00 0.00 C ATOM 223 CG PRO A 36 11.826 -12.186 -15.837 1.00 0.00 C ATOM 224 CD PRO A 36 12.466 -11.271 -16.861 1.00 0.00 C ATOM 0 HA PRO A 36 12.936 -9.613 -14.024 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.775 -12.072 -13.690 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.878 -10.799 -14.494 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.405 -13.101 -15.717 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.825 -12.481 -16.150 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.098 -11.826 -17.555 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.716 -10.752 -17.458 1.00 0.00 H new ATOM 232 N TYR A 37 14.370 -11.122 -12.624 1.00 0.00 N ATOM 233 CA TYR A 37 15.488 -11.714 -11.867 1.00 0.00 C ATOM 234 C TYR A 37 15.048 -13.014 -11.171 1.00 0.00 C ATOM 235 O TYR A 37 15.797 -13.994 -11.142 1.00 0.00 O ATOM 236 CB TYR A 37 16.079 -10.687 -10.859 1.00 0.00 C ATOM 237 CG TYR A 37 15.123 -10.168 -9.765 1.00 0.00 C ATOM 238 CD1 TYR A 37 14.082 -9.280 -10.063 1.00 0.00 C ATOM 239 CD2 TYR A 37 15.271 -10.552 -8.429 1.00 0.00 C ATOM 240 CE1 TYR A 37 13.246 -8.798 -9.078 1.00 0.00 C ATOM 241 CE2 TYR A 37 14.431 -10.073 -7.445 1.00 0.00 C ATOM 242 CZ TYR A 37 13.419 -9.201 -7.775 1.00 0.00 C ATOM 243 OH TYR A 37 12.594 -8.697 -6.786 1.00 0.00 O ATOM 0 H TYR A 37 13.705 -10.608 -12.046 1.00 0.00 H new ATOM 0 HA TYR A 37 16.282 -11.973 -12.568 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.940 -11.144 -10.371 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.450 -9.831 -11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.931 -8.966 -11.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 16.060 -11.239 -8.161 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.457 -8.105 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.567 -10.381 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 37 12.847 -9.083 -5.921 1.00 0.00 H new ATOM 253 N ASP A 38 13.815 -13.013 -10.641 1.00 0.00 N ATOM 254 CA ASP A 38 13.201 -14.177 -9.967 1.00 0.00 C ATOM 255 C ASP A 38 11.701 -14.222 -10.289 1.00 0.00 C ATOM 256 O ASP A 38 11.231 -13.499 -11.177 1.00 0.00 O ATOM 257 CB ASP A 38 13.445 -14.118 -8.421 1.00 0.00 C ATOM 258 CG ASP A 38 14.848 -14.611 -8.011 1.00 0.00 C ATOM 259 OD1 ASP A 38 15.047 -15.848 -7.912 1.00 0.00 O ATOM 260 OD2 ASP A 38 15.764 -13.779 -7.824 1.00 0.00 O ATOM 0 H ASP A 38 13.205 -12.196 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 38 13.667 -15.090 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.312 -13.092 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.692 -14.724 -7.917 1.00 0.00 H new ATOM 265 N ARG A 39 10.972 -15.112 -9.589 1.00 0.00 N ATOM 266 CA ARG A 39 9.499 -15.169 -9.618 1.00 0.00 C ATOM 267 C ARG A 39 8.932 -15.681 -8.291 1.00 0.00 C ATOM 268 O ARG A 39 9.677 -16.152 -7.426 1.00 0.00 O ATOM 269 CB ARG A 39 8.980 -15.997 -10.832 1.00 0.00 C ATOM 270 CG ARG A 39 9.684 -17.329 -11.132 1.00 0.00 C ATOM 271 CD ARG A 39 9.209 -17.910 -12.483 1.00 0.00 C ATOM 272 NE ARG A 39 10.090 -18.969 -12.995 1.00 0.00 N ATOM 273 CZ ARG A 39 10.640 -18.985 -14.228 1.00 0.00 C ATOM 274 NH1 ARG A 39 10.449 -17.974 -15.077 1.00 0.00 N ATOM 275 NH2 ARG A 39 11.394 -20.011 -14.595 1.00 0.00 N ATOM 0 H ARG A 39 11.392 -15.817 -8.983 1.00 0.00 H new ATOM 0 HA ARG A 39 9.135 -14.150 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.922 -16.204 -10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.050 -15.371 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.763 -17.178 -11.156 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.479 -18.041 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.201 -18.308 -12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.151 -17.107 -13.217 1.00 0.00 H new ATOM 0 HE ARG A 39 10.302 -19.749 -12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.881 -17.174 -14.798 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.871 -18.001 -16.005 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.556 -20.782 -13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.813 -20.029 -15.525 1.00 0.00 H new ATOM 289 N ILE A 40 7.603 -15.535 -8.127 1.00 0.00 N ATOM 290 CA ILE A 40 6.862 -15.993 -6.929 1.00 0.00 C ATOM 291 C ILE A 40 5.815 -17.051 -7.320 1.00 0.00 C ATOM 292 O ILE A 40 5.304 -17.049 -8.449 1.00 0.00 O ATOM 293 CB ILE A 40 6.160 -14.796 -6.177 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.139 -14.064 -7.103 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.205 -13.803 -5.613 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.367 -12.953 -6.423 1.00 0.00 C ATOM 0 H ILE A 40 7.006 -15.093 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 40 7.589 -16.435 -6.247 1.00 0.00 H new ATOM 0 HB ILE A 40 5.606 -15.215 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.674 -13.649 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.432 -14.795 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.693 -12.989 -5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.857 -14.321 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.801 -13.399 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.680 -12.497 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.801 -13.362 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.063 -12.198 -6.056 1.00 0.00 H new ATOM 308 N VAL A 41 5.503 -17.943 -6.365 1.00 0.00 N ATOM 309 CA VAL A 41 4.584 -19.080 -6.549 1.00 0.00 C ATOM 310 C VAL A 41 3.421 -18.972 -5.541 1.00 0.00 C ATOM 311 O VAL A 41 3.634 -19.051 -4.330 1.00 0.00 O ATOM 312 CB VAL A 41 5.344 -20.455 -6.353 1.00 0.00 C ATOM 313 CG1 VAL A 41 4.388 -21.667 -6.477 1.00 0.00 C ATOM 314 CG2 VAL A 41 6.530 -20.574 -7.343 1.00 0.00 C ATOM 0 H VAL A 41 5.891 -17.893 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 41 4.190 -19.050 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 41 5.743 -20.466 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.950 -22.590 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.610 -21.596 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.930 -21.669 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.037 -21.526 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.157 -20.522 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.231 -19.758 -7.171 1.00 0.00 H new ATOM 324 N ILE A 42 2.204 -18.762 -6.063 1.00 0.00 N ATOM 325 CA ILE A 42 0.951 -18.706 -5.274 1.00 0.00 C ATOM 326 C ILE A 42 -0.129 -19.561 -5.983 1.00 0.00 C ATOM 327 O ILE A 42 0.129 -20.132 -7.045 1.00 0.00 O ATOM 328 CB ILE A 42 0.422 -17.225 -5.105 1.00 0.00 C ATOM 329 CG1 ILE A 42 0.159 -16.579 -6.499 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.387 -16.355 -4.253 1.00 0.00 C ATOM 331 CD1 ILE A 42 -0.586 -15.267 -6.471 1.00 0.00 C ATOM 0 H ILE A 42 2.053 -18.623 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 42 1.161 -19.097 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.522 -17.271 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.117 -16.424 -6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.405 -17.285 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.984 -15.346 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.492 -16.794 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.363 -16.314 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.718 -14.902 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.562 -15.413 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.017 -14.538 -5.895 1.00 0.00 H new ATOM 343 N THR A 43 -1.333 -19.652 -5.383 1.00 0.00 N ATOM 344 CA THR A 43 -2.513 -20.296 -6.005 1.00 0.00 C ATOM 345 C THR A 43 -3.705 -19.321 -5.976 1.00 0.00 C ATOM 346 O THR A 43 -4.303 -19.083 -4.918 1.00 0.00 O ATOM 347 CB THR A 43 -2.889 -21.646 -5.277 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.736 -21.500 -3.851 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.050 -22.845 -5.762 1.00 0.00 C ATOM 0 H THR A 43 -1.517 -19.281 -4.451 1.00 0.00 H new ATOM 0 HA THR A 43 -2.266 -20.540 -7.038 1.00 0.00 H new ATOM 0 HB THR A 43 -3.929 -21.855 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.178 -20.676 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.355 -23.743 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.207 -22.990 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.994 -22.650 -5.574 1.00 0.00 H new ATOM 357 N GLY A 44 -4.025 -18.741 -7.147 1.00 0.00 N ATOM 358 CA GLY A 44 -5.181 -17.855 -7.309 1.00 0.00 C ATOM 359 C GLY A 44 -6.429 -18.639 -7.683 1.00 0.00 C ATOM 360 O GLY A 44 -6.326 -19.660 -8.349 1.00 0.00 O ATOM 0 H GLY A 44 -3.487 -18.876 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.356 -17.309 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.969 -17.114 -8.080 1.00 0.00 H new ATOM 364 N ARG A 45 -7.613 -18.161 -7.277 1.00 0.00 N ATOM 365 CA ARG A 45 -8.870 -18.929 -7.381 1.00 0.00 C ATOM 366 C ARG A 45 -9.808 -18.320 -8.441 1.00 0.00 C ATOM 367 O ARG A 45 -9.791 -17.110 -8.677 1.00 0.00 O ATOM 368 CB ARG A 45 -9.541 -18.971 -5.985 1.00 0.00 C ATOM 369 CG ARG A 45 -10.795 -19.864 -5.868 1.00 0.00 C ATOM 370 CD ARG A 45 -11.300 -19.971 -4.418 1.00 0.00 C ATOM 371 NE ARG A 45 -10.271 -20.540 -3.524 1.00 0.00 N ATOM 372 CZ ARG A 45 -10.254 -21.803 -3.065 1.00 0.00 C ATOM 373 NH1 ARG A 45 -11.253 -22.638 -3.334 1.00 0.00 N ATOM 374 NH2 ARG A 45 -9.238 -22.222 -2.328 1.00 0.00 N ATOM 0 H ARG A 45 -7.731 -17.234 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.652 -19.946 -7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.804 -19.315 -5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.815 -17.954 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.587 -19.459 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.566 -20.861 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.589 -18.983 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.194 -20.595 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.512 -19.925 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.044 -22.322 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.228 -23.594 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.470 -21.587 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.223 -23.180 -1.978 1.00 0.00 H new ATOM 388 N PHE A 46 -10.656 -19.182 -9.047 1.00 0.00 N ATOM 389 CA PHE A 46 -11.551 -18.818 -10.176 1.00 0.00 C ATOM 390 C PHE A 46 -12.731 -17.923 -9.740 1.00 0.00 C ATOM 391 O PHE A 46 -13.522 -17.486 -10.581 1.00 0.00 O ATOM 392 CB PHE A 46 -12.073 -20.109 -10.882 1.00 0.00 C ATOM 393 CG PHE A 46 -13.218 -20.836 -10.165 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.039 -21.406 -8.906 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.476 -20.949 -10.761 1.00 0.00 C ATOM 396 CE1 PHE A 46 -14.075 -22.063 -8.271 1.00 0.00 C ATOM 397 CE2 PHE A 46 -15.509 -21.605 -10.125 1.00 0.00 C ATOM 398 CZ PHE A 46 -15.309 -22.162 -8.881 1.00 0.00 C ATOM 0 H PHE A 46 -10.741 -20.159 -8.766 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.959 -18.232 -10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.406 -19.844 -11.886 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.240 -20.803 -10.995 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.077 -21.333 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.643 -20.515 -11.736 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.919 -22.500 -7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.475 -21.682 -10.602 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.118 -22.676 -8.383 1.00 0.00 H new ATOM 408 N ASN A 47 -12.849 -17.677 -8.418 1.00 0.00 N ATOM 409 CA ASN A 47 -13.872 -16.776 -7.843 1.00 0.00 C ATOM 410 C ASN A 47 -13.711 -15.345 -8.398 1.00 0.00 C ATOM 411 O ASN A 47 -14.695 -14.608 -8.534 1.00 0.00 O ATOM 412 CB ASN A 47 -13.793 -16.782 -6.288 1.00 0.00 C ATOM 413 CG ASN A 47 -14.292 -18.084 -5.620 1.00 0.00 C ATOM 414 OD1 ASN A 47 -14.150 -19.239 -6.282 1.00 0.00 O flip ATOM 415 ND2 ASN A 47 -14.795 -18.054 -4.497 1.00 0.00 N flip ATOM 0 H ASN A 47 -12.237 -18.098 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.857 -17.142 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.759 -16.610 -5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -14.378 -15.946 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.896 -17.165 -4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.111 -18.918 -4.057 1.00 0.00 H new ATOM 422 N ALA A 48 -12.455 -14.988 -8.726 1.00 0.00 N ATOM 423 CA ALA A 48 -12.112 -13.738 -9.408 1.00 0.00 C ATOM 424 C ALA A 48 -10.665 -13.786 -9.904 1.00 0.00 C ATOM 425 O ALA A 48 -9.789 -14.348 -9.232 1.00 0.00 O ATOM 426 CB ALA A 48 -12.306 -12.527 -8.481 1.00 0.00 C ATOM 0 H ALA A 48 -11.644 -15.571 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.782 -13.627 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.043 -11.614 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.347 -12.475 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.665 -12.632 -7.606 1.00 0.00 H new ATOM 432 N ILE A 49 -10.427 -13.198 -11.089 1.00 0.00 N ATOM 433 CA ILE A 49 -9.068 -12.916 -11.589 1.00 0.00 C ATOM 434 C ILE A 49 -8.377 -11.921 -10.628 1.00 0.00 C ATOM 435 O ILE A 49 -7.188 -12.059 -10.334 1.00 0.00 O ATOM 436 CB ILE A 49 -9.079 -12.353 -13.076 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.630 -12.022 -13.601 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.017 -11.125 -13.214 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.671 -13.211 -13.651 1.00 0.00 C ATOM 0 H ILE A 49 -11.168 -12.905 -11.726 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.510 -13.852 -11.618 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.474 -13.149 -13.707 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.711 -11.598 -14.602 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.196 -11.252 -12.963 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.999 -10.767 -14.243 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.034 -11.412 -12.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.678 -10.331 -12.548 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.702 -12.881 -14.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.552 -13.625 -12.650 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.075 -13.976 -14.314 1.00 0.00 H new ATOM 451 N GLY A 50 -9.177 -10.956 -10.107 1.00 0.00 N ATOM 452 CA GLY A 50 -8.701 -9.957 -9.148 1.00 0.00 C ATOM 453 C GLY A 50 -8.213 -10.556 -7.833 1.00 0.00 C ATOM 454 O GLY A 50 -7.378 -9.959 -7.169 1.00 0.00 O ATOM 0 H GLY A 50 -10.164 -10.859 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.889 -9.388 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.507 -9.253 -8.940 1.00 0.00 H new ATOM 458 N ASP A 51 -8.747 -11.737 -7.464 1.00 0.00 N ATOM 459 CA ASP A 51 -8.283 -12.508 -6.283 1.00 0.00 C ATOM 460 C ASP A 51 -6.800 -12.887 -6.443 1.00 0.00 C ATOM 461 O ASP A 51 -5.980 -12.672 -5.537 1.00 0.00 O ATOM 462 CB ASP A 51 -9.152 -13.784 -6.098 1.00 0.00 C ATOM 463 CG ASP A 51 -8.594 -14.761 -5.040 1.00 0.00 C ATOM 464 OD1 ASP A 51 -8.660 -14.445 -3.836 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.091 -15.847 -5.404 1.00 0.00 O ATOM 0 H ASP A 51 -9.510 -12.186 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.388 -11.885 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.161 -13.488 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.231 -14.302 -7.054 1.00 0.00 H new ATOM 470 N ALA A 52 -6.484 -13.443 -7.623 1.00 0.00 N ATOM 471 CA ALA A 52 -5.118 -13.848 -7.991 1.00 0.00 C ATOM 472 C ALA A 52 -4.192 -12.627 -8.094 1.00 0.00 C ATOM 473 O ALA A 52 -3.052 -12.671 -7.624 1.00 0.00 O ATOM 474 CB ALA A 52 -5.132 -14.615 -9.317 1.00 0.00 C ATOM 0 H ALA A 52 -7.173 -13.625 -8.353 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.734 -14.502 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.115 -14.909 -9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.753 -15.505 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.538 -13.977 -10.102 1.00 0.00 H new ATOM 480 N VAL A 53 -4.713 -11.540 -8.704 1.00 0.00 N ATOM 481 CA VAL A 53 -3.955 -10.293 -8.924 1.00 0.00 C ATOM 482 C VAL A 53 -3.626 -9.591 -7.586 1.00 0.00 C ATOM 483 O VAL A 53 -2.538 -9.034 -7.431 1.00 0.00 O ATOM 484 CB VAL A 53 -4.694 -9.311 -9.908 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.917 -7.979 -10.092 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.925 -9.995 -11.277 1.00 0.00 C ATOM 0 H VAL A 53 -5.669 -11.504 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.016 -10.577 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.659 -9.066 -9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.462 -7.331 -10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.815 -7.481 -9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.928 -8.188 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.437 -9.304 -11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.965 -10.276 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.536 -10.887 -11.140 1.00 0.00 H new ATOM 496 N SER A 54 -4.556 -9.660 -6.621 1.00 0.00 N ATOM 497 CA SER A 54 -4.350 -9.098 -5.269 1.00 0.00 C ATOM 498 C SER A 54 -3.241 -9.866 -4.528 1.00 0.00 C ATOM 499 O SER A 54 -2.383 -9.266 -3.876 1.00 0.00 O ATOM 500 CB SER A 54 -5.660 -9.145 -4.452 1.00 0.00 C ATOM 501 OG SER A 54 -6.676 -8.375 -5.065 1.00 0.00 O ATOM 0 H SER A 54 -5.466 -10.102 -6.750 1.00 0.00 H new ATOM 0 HA SER A 54 -4.045 -8.057 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.993 -10.178 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.476 -8.772 -3.444 1.00 0.00 H new ATOM 0 HG SER A 54 -7.015 -8.849 -5.853 1.00 0.00 H new ATOM 507 N ALA A 55 -3.267 -11.201 -4.674 1.00 0.00 N ATOM 508 CA ALA A 55 -2.316 -12.108 -4.013 1.00 0.00 C ATOM 509 C ALA A 55 -0.888 -11.948 -4.578 1.00 0.00 C ATOM 510 O ALA A 55 0.085 -11.920 -3.820 1.00 0.00 O ATOM 511 CB ALA A 55 -2.806 -13.555 -4.154 1.00 0.00 C ATOM 0 H ALA A 55 -3.952 -11.683 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.268 -11.848 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.101 -14.227 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.786 -13.654 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.879 -13.813 -5.210 1.00 0.00 H new ATOM 517 N VAL A 56 -0.781 -11.824 -5.916 1.00 0.00 N ATOM 518 CA VAL A 56 0.524 -11.711 -6.608 1.00 0.00 C ATOM 519 C VAL A 56 1.119 -10.292 -6.465 1.00 0.00 C ATOM 520 O VAL A 56 2.334 -10.141 -6.366 1.00 0.00 O ATOM 521 CB VAL A 56 0.421 -12.124 -8.129 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.519 -11.209 -8.913 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.802 -12.181 -8.805 1.00 0.00 C ATOM 0 H VAL A 56 -1.585 -11.799 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 56 1.202 -12.412 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.003 -13.128 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.557 -11.532 -9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.518 -11.258 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.152 -10.184 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.684 -12.469 -9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.275 -11.200 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.427 -12.914 -8.295 1.00 0.00 H new ATOM 533 N SER A 57 0.248 -9.262 -6.438 1.00 0.00 N ATOM 534 CA SER A 57 0.673 -7.857 -6.241 1.00 0.00 C ATOM 535 C SER A 57 1.212 -7.659 -4.818 1.00 0.00 C ATOM 536 O SER A 57 2.215 -6.966 -4.610 1.00 0.00 O ATOM 537 CB SER A 57 -0.499 -6.886 -6.515 1.00 0.00 C ATOM 538 OG SER A 57 -0.105 -5.534 -6.356 1.00 0.00 O ATOM 0 H SER A 57 -0.759 -9.376 -6.551 1.00 0.00 H new ATOM 0 HA SER A 57 1.470 -7.637 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.871 -7.040 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.322 -7.108 -5.836 1.00 0.00 H new ATOM 0 HG SER A 57 0.551 -5.301 -7.046 1.00 0.00 H new ATOM 544 N ARG A 58 0.527 -8.302 -3.858 1.00 0.00 N ATOM 545 CA ARG A 58 0.906 -8.293 -2.444 1.00 0.00 C ATOM 546 C ARG A 58 2.257 -9.004 -2.261 1.00 0.00 C ATOM 547 O ARG A 58 3.209 -8.405 -1.779 1.00 0.00 O ATOM 548 CB ARG A 58 -0.190 -8.988 -1.593 1.00 0.00 C ATOM 549 CG ARG A 58 0.116 -9.074 -0.084 1.00 0.00 C ATOM 550 CD ARG A 58 -0.911 -9.919 0.687 1.00 0.00 C ATOM 551 NE ARG A 58 -0.454 -10.209 2.059 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.487 -11.416 2.651 1.00 0.00 C ATOM 553 NH1 ARG A 58 -0.933 -12.485 2.002 1.00 0.00 N ATOM 554 NH2 ARG A 58 -0.055 -11.545 3.888 1.00 0.00 N ATOM 0 H ARG A 58 -0.314 -8.847 -4.049 1.00 0.00 H new ATOM 0 HA ARG A 58 1.003 -7.261 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.129 -8.451 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.341 -9.997 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.109 -9.501 0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.139 -8.068 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.864 -9.391 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.086 -10.854 0.156 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.083 -9.430 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.258 -12.398 1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.951 -13.393 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.302 -10.732 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.077 -12.457 4.343 1.00 0.00 H new ATOM 568 N ARG A 59 2.329 -10.273 -2.710 1.00 0.00 N ATOM 569 CA ARG A 59 3.494 -11.146 -2.474 1.00 0.00 C ATOM 570 C ARG A 59 4.753 -10.650 -3.206 1.00 0.00 C ATOM 571 O ARG A 59 5.840 -10.699 -2.640 1.00 0.00 O ATOM 572 CB ARG A 59 3.160 -12.619 -2.833 1.00 0.00 C ATOM 573 CG ARG A 59 4.286 -13.663 -2.568 1.00 0.00 C ATOM 574 CD ARG A 59 4.914 -13.578 -1.151 1.00 0.00 C ATOM 575 NE ARG A 59 3.906 -13.457 -0.070 1.00 0.00 N ATOM 576 CZ ARG A 59 3.937 -14.091 1.116 1.00 0.00 C ATOM 577 NH1 ARG A 59 4.826 -15.043 1.355 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.062 -13.760 2.057 1.00 0.00 N ATOM 0 H ARG A 59 1.584 -10.719 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 59 3.723 -11.104 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.276 -12.917 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.894 -12.663 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.879 -14.664 -2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.073 -13.528 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.520 -14.467 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.586 -12.721 -1.110 1.00 0.00 H new ATOM 0 HE ARG A 59 3.116 -12.835 -0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.499 -15.304 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.837 -15.515 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.373 -13.030 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.079 -14.236 2.959 1.00 0.00 H new ATOM 592 N ALA A 60 4.601 -10.149 -4.448 1.00 0.00 N ATOM 593 CA ALA A 60 5.733 -9.559 -5.211 1.00 0.00 C ATOM 594 C ALA A 60 6.311 -8.355 -4.446 1.00 0.00 C ATOM 595 O ALA A 60 7.526 -8.203 -4.329 1.00 0.00 O ATOM 596 CB ALA A 60 5.287 -9.152 -6.626 1.00 0.00 C ATOM 0 H ALA A 60 3.712 -10.138 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 60 6.515 -10.311 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.132 -8.723 -7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.924 -10.030 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.488 -8.414 -6.557 1.00 0.00 H new ATOM 602 N ASP A 61 5.408 -7.540 -3.877 1.00 0.00 N ATOM 603 CA ASP A 61 5.766 -6.371 -3.050 1.00 0.00 C ATOM 604 C ASP A 61 6.434 -6.808 -1.724 1.00 0.00 C ATOM 605 O ASP A 61 7.352 -6.141 -1.235 1.00 0.00 O ATOM 606 CB ASP A 61 4.499 -5.521 -2.781 1.00 0.00 C ATOM 607 CG ASP A 61 4.752 -4.261 -1.932 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.550 -3.398 -2.363 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.135 -4.104 -0.850 1.00 0.00 O ATOM 0 H ASP A 61 4.402 -7.673 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 61 6.491 -5.765 -3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.067 -5.221 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.759 -6.142 -2.277 1.00 0.00 H new ATOM 614 N GLU A 62 5.967 -7.947 -1.154 1.00 0.00 N ATOM 615 CA GLU A 62 6.543 -8.537 0.079 1.00 0.00 C ATOM 616 C GLU A 62 7.982 -9.038 -0.175 1.00 0.00 C ATOM 617 O GLU A 62 8.846 -8.960 0.704 1.00 0.00 O ATOM 618 CB GLU A 62 5.637 -9.685 0.621 1.00 0.00 C ATOM 619 CG GLU A 62 4.244 -9.225 1.110 1.00 0.00 C ATOM 620 CD GLU A 62 3.369 -10.368 1.666 1.00 0.00 C ATOM 621 OE1 GLU A 62 2.651 -11.029 0.880 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.404 -10.620 2.892 1.00 0.00 O ATOM 0 H GLU A 62 5.185 -8.479 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 62 6.587 -7.758 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.505 -10.429 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.152 -10.180 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.373 -8.469 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.719 -8.747 0.283 1.00 0.00 H new ATOM 629 N GLU A 63 8.224 -9.515 -1.404 1.00 0.00 N ATOM 630 CA GLU A 63 9.545 -10.005 -1.848 1.00 0.00 C ATOM 631 C GLU A 63 10.457 -8.843 -2.297 1.00 0.00 C ATOM 632 O GLU A 63 11.631 -9.058 -2.605 1.00 0.00 O ATOM 633 CB GLU A 63 9.345 -11.034 -2.992 1.00 0.00 C ATOM 634 CG GLU A 63 8.530 -12.282 -2.593 1.00 0.00 C ATOM 635 CD GLU A 63 9.192 -13.135 -1.503 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.048 -13.982 -1.842 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.878 -12.951 -0.303 1.00 0.00 O ATOM 0 H GLU A 63 7.506 -9.574 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 63 10.044 -10.491 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.845 -10.540 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.323 -11.354 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.546 -11.966 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.372 -12.899 -3.478 1.00 0.00 H new ATOM 644 N GLY A 64 9.898 -7.612 -2.323 1.00 0.00 N ATOM 645 CA GLY A 64 10.663 -6.398 -2.646 1.00 0.00 C ATOM 646 C GLY A 64 10.857 -6.194 -4.140 1.00 0.00 C ATOM 647 O GLY A 64 11.925 -5.763 -4.592 1.00 0.00 O ATOM 0 H GLY A 64 8.913 -7.438 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.149 -5.531 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.639 -6.452 -2.163 1.00 0.00 H new ATOM 651 N ALA A 65 9.807 -6.505 -4.906 1.00 0.00 N ATOM 652 CA ALA A 65 9.769 -6.326 -6.366 1.00 0.00 C ATOM 653 C ALA A 65 8.857 -5.146 -6.715 1.00 0.00 C ATOM 654 O ALA A 65 7.740 -5.049 -6.198 1.00 0.00 O ATOM 655 CB ALA A 65 9.273 -7.607 -7.044 1.00 0.00 C ATOM 0 H ALA A 65 8.944 -6.895 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 65 10.775 -6.115 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.249 -7.461 -8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.946 -8.430 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.270 -7.842 -6.688 1.00 0.00 H new ATOM 661 N ALA A 66 9.347 -4.265 -7.599 1.00 0.00 N ATOM 662 CA ALA A 66 8.620 -3.059 -8.038 1.00 0.00 C ATOM 663 C ALA A 66 7.466 -3.424 -8.988 1.00 0.00 C ATOM 664 O ALA A 66 6.461 -2.709 -9.066 1.00 0.00 O ATOM 665 CB ALA A 66 9.594 -2.083 -8.719 1.00 0.00 C ATOM 0 H ALA A 66 10.264 -4.367 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 66 8.188 -2.576 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.052 -1.194 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.374 -1.797 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.047 -2.566 -9.585 1.00 0.00 H new ATOM 671 N SER A 67 7.637 -4.540 -9.716 1.00 0.00 N ATOM 672 CA SER A 67 6.665 -5.017 -10.712 1.00 0.00 C ATOM 673 C SER A 67 6.571 -6.553 -10.714 1.00 0.00 C ATOM 674 O SER A 67 7.374 -7.238 -10.068 1.00 0.00 O ATOM 675 CB SER A 67 7.056 -4.482 -12.113 1.00 0.00 C ATOM 676 OG SER A 67 7.106 -3.064 -12.133 1.00 0.00 O ATOM 0 H SER A 67 8.458 -5.139 -9.629 1.00 0.00 H new ATOM 0 HA SER A 67 5.678 -4.636 -10.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.027 -4.885 -12.400 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.335 -4.832 -12.852 1.00 0.00 H new ATOM 0 HG SER A 67 7.508 -2.763 -12.974 1.00 0.00 H new ATOM 682 N PHE A 68 5.556 -7.071 -11.428 1.00 0.00 N ATOM 683 CA PHE A 68 5.371 -8.515 -11.670 1.00 0.00 C ATOM 684 C PHE A 68 4.731 -8.733 -13.051 1.00 0.00 C ATOM 685 O PHE A 68 4.216 -7.794 -13.654 1.00 0.00 O ATOM 686 CB PHE A 68 4.499 -9.168 -10.552 1.00 0.00 C ATOM 687 CG PHE A 68 3.030 -8.711 -10.523 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.050 -9.381 -11.272 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.630 -7.617 -9.762 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.733 -8.967 -11.256 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.307 -7.210 -9.746 1.00 0.00 C ATOM 692 CZ PHE A 68 0.362 -7.883 -10.490 1.00 0.00 C ATOM 0 H PHE A 68 4.833 -6.494 -11.858 1.00 0.00 H new ATOM 0 HA PHE A 68 6.349 -8.996 -11.649 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.525 -10.250 -10.678 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.951 -8.949 -9.585 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.331 -10.235 -11.871 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.361 -7.079 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.006 -9.492 -11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.014 -6.360 -9.147 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.669 -7.561 -10.473 1.00 0.00 H new ATOM 702 N TYR A 69 4.731 -9.988 -13.505 1.00 0.00 N ATOM 703 CA TYR A 69 4.079 -10.415 -14.745 1.00 0.00 C ATOM 704 C TYR A 69 3.860 -11.932 -14.686 1.00 0.00 C ATOM 705 O TYR A 69 4.822 -12.692 -14.536 1.00 0.00 O ATOM 706 CB TYR A 69 4.926 -10.024 -15.989 1.00 0.00 C ATOM 707 CG TYR A 69 4.412 -10.607 -17.315 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.192 -10.199 -17.859 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.138 -11.585 -18.014 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.716 -10.743 -19.041 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.667 -12.122 -19.196 1.00 0.00 C ATOM 712 CZ TYR A 69 3.456 -11.701 -19.705 1.00 0.00 C ATOM 713 OH TYR A 69 2.982 -12.253 -20.880 1.00 0.00 O ATOM 0 H TYR A 69 5.193 -10.751 -13.011 1.00 0.00 H new ATOM 0 HA TYR A 69 3.118 -9.909 -14.841 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.951 -8.937 -16.069 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.952 -10.356 -15.834 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.609 -9.446 -17.349 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.084 -11.924 -17.619 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.767 -10.418 -19.442 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.245 -12.869 -19.720 1.00 0.00 H new ATOM 0 HH TYR A 69 3.627 -12.910 -21.216 1.00 0.00 H new ATOM 723 N VAL A 70 2.589 -12.356 -14.818 1.00 0.00 N ATOM 724 CA VAL A 70 2.204 -13.776 -14.746 1.00 0.00 C ATOM 725 C VAL A 70 2.729 -14.526 -15.981 1.00 0.00 C ATOM 726 O VAL A 70 2.399 -14.171 -17.120 1.00 0.00 O ATOM 727 CB VAL A 70 0.645 -13.953 -14.610 1.00 0.00 C ATOM 728 CG1 VAL A 70 0.247 -15.451 -14.491 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.101 -13.133 -13.411 1.00 0.00 C ATOM 0 H VAL A 70 1.803 -11.725 -14.977 1.00 0.00 H new ATOM 0 HA VAL A 70 2.657 -14.201 -13.850 1.00 0.00 H new ATOM 0 HB VAL A 70 0.187 -13.568 -15.521 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.836 -15.534 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.577 -15.987 -15.381 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.720 -15.884 -13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.978 -13.270 -13.336 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.575 -13.475 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.323 -12.077 -13.562 1.00 0.00 H new ATOM 739 N VAL A 71 3.570 -15.550 -15.737 1.00 0.00 N ATOM 740 CA VAL A 71 4.187 -16.346 -16.811 1.00 0.00 C ATOM 741 C VAL A 71 3.345 -17.602 -17.094 1.00 0.00 C ATOM 742 O VAL A 71 3.277 -18.066 -18.239 1.00 0.00 O ATOM 743 CB VAL A 71 5.675 -16.731 -16.463 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.780 -17.617 -15.198 1.00 0.00 C ATOM 745 CG2 VAL A 71 6.414 -17.373 -17.674 1.00 0.00 C ATOM 0 H VAL A 71 3.838 -15.845 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 71 4.213 -15.734 -17.713 1.00 0.00 H new ATOM 0 HB VAL A 71 6.183 -15.794 -16.234 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.827 -17.852 -15.004 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.364 -17.082 -14.344 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.223 -18.541 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.436 -17.622 -17.387 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.892 -18.280 -17.980 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.432 -16.668 -18.505 1.00 0.00 H new ATOM 755 N ASP A 72 2.669 -18.112 -16.046 1.00 0.00 N ATOM 756 CA ASP A 72 1.945 -19.391 -16.105 1.00 0.00 C ATOM 757 C ASP A 72 0.894 -19.489 -14.985 1.00 0.00 C ATOM 758 O ASP A 72 1.072 -18.928 -13.895 1.00 0.00 O ATOM 759 CB ASP A 72 2.962 -20.558 -15.986 1.00 0.00 C ATOM 760 CG ASP A 72 2.312 -21.954 -15.997 1.00 0.00 C ATOM 761 OD1 ASP A 72 2.088 -22.511 -17.090 1.00 0.00 O ATOM 762 OD2 ASP A 72 2.011 -22.490 -14.912 1.00 0.00 O ATOM 0 H ASP A 72 2.611 -17.649 -15.139 1.00 0.00 H new ATOM 0 HA ASP A 72 1.421 -19.452 -17.059 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.674 -20.493 -16.809 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.530 -20.440 -15.063 1.00 0.00 H new ATOM 767 N THR A 73 -0.203 -20.222 -15.283 1.00 0.00 N ATOM 768 CA THR A 73 -1.236 -20.615 -14.310 1.00 0.00 C ATOM 769 C THR A 73 -1.544 -22.126 -14.488 1.00 0.00 C ATOM 770 O THR A 73 -2.195 -22.526 -15.460 1.00 0.00 O ATOM 771 CB THR A 73 -2.542 -19.753 -14.481 1.00 0.00 C ATOM 772 OG1 THR A 73 -2.982 -19.776 -15.854 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.336 -18.291 -14.046 1.00 0.00 C ATOM 0 H THR A 73 -0.394 -20.561 -16.226 1.00 0.00 H new ATOM 0 HA THR A 73 -0.864 -20.434 -13.302 1.00 0.00 H new ATOM 0 HB THR A 73 -3.300 -20.198 -13.836 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.001 -20.701 -16.176 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.264 -17.737 -14.182 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.047 -18.261 -12.996 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.551 -17.838 -14.652 1.00 0.00 H new ATOM 781 N SER A 74 -1.041 -22.965 -13.559 1.00 0.00 N ATOM 782 CA SER A 74 -1.262 -24.429 -13.568 1.00 0.00 C ATOM 783 C SER A 74 -2.353 -24.809 -12.561 1.00 0.00 C ATOM 784 O SER A 74 -2.113 -24.723 -11.359 1.00 0.00 O ATOM 785 CB SER A 74 0.056 -25.178 -13.228 1.00 0.00 C ATOM 786 OG SER A 74 1.033 -24.990 -14.227 1.00 0.00 O ATOM 0 H SER A 74 -0.468 -22.646 -12.778 1.00 0.00 H new ATOM 0 HA SER A 74 -1.586 -24.722 -14.567 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.440 -24.824 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.149 -26.243 -13.114 1.00 0.00 H new ATOM 0 HG SER A 74 1.131 -24.033 -14.412 1.00 0.00 H new ATOM 792 N GLU A 75 -3.542 -25.221 -13.052 1.00 0.00 N ATOM 793 CA GLU A 75 -4.659 -25.665 -12.180 1.00 0.00 C ATOM 794 C GLU A 75 -4.194 -26.753 -11.170 1.00 0.00 C ATOM 795 O GLU A 75 -3.540 -27.730 -11.548 1.00 0.00 O ATOM 796 CB GLU A 75 -5.891 -26.148 -13.015 1.00 0.00 C ATOM 797 CG GLU A 75 -5.696 -27.422 -13.878 1.00 0.00 C ATOM 798 CD GLU A 75 -4.654 -27.263 -15.005 1.00 0.00 C ATOM 799 OE1 GLU A 75 -4.829 -26.372 -15.862 1.00 0.00 O ATOM 800 OE2 GLU A 75 -3.668 -28.033 -15.052 1.00 0.00 O ATOM 0 H GLU A 75 -3.756 -25.256 -14.049 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.981 -24.798 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.718 -26.327 -12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.194 -25.335 -13.674 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.393 -28.244 -13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.653 -27.700 -14.319 1.00 0.00 H new ATOM 866 N ASN A 81 -8.565 -23.591 -7.742 1.00 0.00 N ATOM 867 CA ASN A 81 -7.354 -22.819 -7.416 1.00 0.00 C ATOM 868 C ASN A 81 -6.262 -23.178 -8.440 1.00 0.00 C ATOM 869 O ASN A 81 -5.802 -24.310 -8.514 1.00 0.00 O ATOM 870 CB ASN A 81 -6.883 -23.062 -5.944 1.00 0.00 C ATOM 871 CG ASN A 81 -6.444 -24.496 -5.656 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.457 -24.671 -4.798 1.00 0.00 O flip ATOM 873 ND2 ASN A 81 -6.977 -25.439 -6.216 1.00 0.00 N flip ATOM 0 HA ASN A 81 -7.574 -21.753 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.054 -22.389 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.695 -22.800 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.738 -25.277 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.662 -26.390 -6.025 1.00 0.00 H new ATOM 880 N TRP A 82 -5.924 -22.223 -9.287 1.00 0.00 N ATOM 881 CA TRP A 82 -4.878 -22.354 -10.307 1.00 0.00 C ATOM 882 C TRP A 82 -3.602 -21.658 -9.812 1.00 0.00 C ATOM 883 O TRP A 82 -3.633 -20.483 -9.437 1.00 0.00 O ATOM 884 CB TRP A 82 -5.371 -21.804 -11.694 1.00 0.00 C ATOM 885 CG TRP A 82 -6.468 -20.752 -11.604 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.801 -20.983 -11.384 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.332 -19.330 -11.721 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.481 -19.803 -11.353 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.611 -18.774 -11.551 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.260 -18.477 -11.944 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.846 -17.404 -11.610 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.490 -17.114 -11.997 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.774 -16.589 -11.823 1.00 0.00 C ATOM 0 H TRP A 82 -6.376 -21.308 -9.292 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.647 -23.407 -10.466 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -4.520 -21.378 -12.225 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.735 -22.639 -12.293 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.247 -21.958 -11.254 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.485 -19.705 -11.205 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.263 -18.871 -12.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.841 -17.001 -11.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.663 -16.443 -12.176 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.919 -15.519 -11.858 1.00 0.00 H new ATOM 904 N ARG A 83 -2.498 -22.425 -9.796 1.00 0.00 N ATOM 905 CA ARG A 83 -1.180 -21.980 -9.334 1.00 0.00 C ATOM 906 C ARG A 83 -0.669 -20.860 -10.243 1.00 0.00 C ATOM 907 O ARG A 83 -0.258 -21.112 -11.377 1.00 0.00 O ATOM 908 CB ARG A 83 -0.190 -23.192 -9.292 1.00 0.00 C ATOM 909 CG ARG A 83 1.197 -22.959 -8.616 1.00 0.00 C ATOM 910 CD ARG A 83 2.201 -22.141 -9.463 1.00 0.00 C ATOM 911 NE ARG A 83 2.314 -22.644 -10.853 1.00 0.00 N ATOM 912 CZ ARG A 83 3.397 -23.226 -11.396 1.00 0.00 C ATOM 913 NH1 ARG A 83 4.498 -23.412 -10.682 1.00 0.00 N ATOM 914 NH2 ARG A 83 3.374 -23.626 -12.655 1.00 0.00 N ATOM 0 H ARG A 83 -2.502 -23.395 -10.113 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.257 -21.583 -8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.684 -24.014 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.015 -23.521 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.042 -22.446 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.641 -23.928 -8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.889 -21.097 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.182 -22.172 -8.988 1.00 0.00 H new ATOM 0 HE ARG A 83 1.495 -22.539 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.531 -23.112 -9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.313 -23.855 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.533 -23.493 -13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.197 -24.067 -13.065 1.00 0.00 H new ATOM 928 N VAL A 84 -0.698 -19.638 -9.713 1.00 0.00 N ATOM 929 CA VAL A 84 -0.200 -18.449 -10.402 1.00 0.00 C ATOM 930 C VAL A 84 1.285 -18.298 -10.079 1.00 0.00 C ATOM 931 O VAL A 84 1.651 -18.015 -8.933 1.00 0.00 O ATOM 932 CB VAL A 84 -0.971 -17.147 -9.957 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.515 -15.899 -10.757 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.494 -17.342 -10.048 1.00 0.00 C ATOM 0 H VAL A 84 -1.072 -19.444 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.359 -18.572 -11.473 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.718 -16.967 -8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.072 -15.026 -10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.551 -15.734 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.703 -16.059 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.997 -16.427 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.770 -17.574 -11.077 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.795 -18.163 -9.397 1.00 0.00 H new ATOM 944 N VAL A 85 2.140 -18.560 -11.061 1.00 0.00 N ATOM 945 CA VAL A 85 3.561 -18.220 -10.967 1.00 0.00 C ATOM 946 C VAL A 85 3.811 -16.989 -11.844 1.00 0.00 C ATOM 947 O VAL A 85 3.373 -16.934 -13.008 1.00 0.00 O ATOM 948 CB VAL A 85 4.494 -19.435 -11.335 1.00 0.00 C ATOM 949 CG1 VAL A 85 4.274 -19.949 -12.762 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.981 -19.101 -11.068 1.00 0.00 C ATOM 0 H VAL A 85 1.875 -19.009 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 85 3.816 -17.983 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 85 4.211 -20.255 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.946 -20.786 -12.955 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.241 -20.279 -12.875 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.478 -19.148 -13.473 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.600 -19.959 -11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.275 -18.242 -11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.117 -18.866 -10.012 1.00 0.00 H new ATOM 960 N ALA A 86 4.458 -15.971 -11.263 1.00 0.00 N ATOM 961 CA ALA A 86 4.622 -14.661 -11.902 1.00 0.00 C ATOM 962 C ALA A 86 6.033 -14.124 -11.691 1.00 0.00 C ATOM 963 O ALA A 86 6.468 -13.953 -10.546 1.00 0.00 O ATOM 964 CB ALA A 86 3.585 -13.673 -11.351 1.00 0.00 C ATOM 0 H ALA A 86 4.882 -16.033 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 86 4.463 -14.779 -12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.715 -12.703 -11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.582 -14.047 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.721 -13.566 -10.275 1.00 0.00 H new ATOM 970 N ASP A 87 6.735 -13.877 -12.808 1.00 0.00 N ATOM 971 CA ASP A 87 8.073 -13.278 -12.804 1.00 0.00 C ATOM 972 C ASP A 87 8.031 -11.863 -12.247 1.00 0.00 C ATOM 973 O ASP A 87 7.155 -11.079 -12.598 1.00 0.00 O ATOM 974 CB ASP A 87 8.678 -13.315 -14.221 1.00 0.00 C ATOM 975 CG ASP A 87 9.189 -14.717 -14.608 1.00 0.00 C ATOM 976 OD1 ASP A 87 10.367 -15.036 -14.336 1.00 0.00 O ATOM 977 OD2 ASP A 87 8.417 -15.508 -15.167 1.00 0.00 O ATOM 0 H ASP A 87 6.386 -14.089 -13.743 1.00 0.00 H new ATOM 0 HA ASP A 87 8.718 -13.864 -12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.926 -12.994 -14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.501 -12.603 -14.280 1.00 0.00 H new ATOM 982 N VAL A 88 8.995 -11.549 -11.383 1.00 0.00 N ATOM 983 CA VAL A 88 9.036 -10.291 -10.644 1.00 0.00 C ATOM 984 C VAL A 88 10.215 -9.446 -11.141 1.00 0.00 C ATOM 985 O VAL A 88 11.282 -9.975 -11.494 1.00 0.00 O ATOM 986 CB VAL A 88 9.119 -10.540 -9.092 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.862 -11.289 -8.574 1.00 0.00 C ATOM 988 CG2 VAL A 88 10.418 -11.280 -8.681 1.00 0.00 C ATOM 0 H VAL A 88 9.778 -12.169 -11.175 1.00 0.00 H new ATOM 0 HA VAL A 88 8.111 -9.744 -10.825 1.00 0.00 H new ATOM 0 HB VAL A 88 9.149 -9.559 -8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.949 -11.446 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.972 -10.695 -8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.780 -12.253 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.427 -11.427 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.458 -12.248 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.283 -10.685 -8.973 1.00 0.00 H new ATOM 998 N TYR A 89 9.987 -8.132 -11.198 1.00 0.00 N ATOM 999 CA TYR A 89 10.888 -7.165 -11.840 1.00 0.00 C ATOM 1000 C TYR A 89 11.264 -6.063 -10.844 1.00 0.00 C ATOM 1001 O TYR A 89 10.500 -5.760 -9.915 1.00 0.00 O ATOM 1002 CB TYR A 89 10.190 -6.528 -13.082 1.00 0.00 C ATOM 1003 CG TYR A 89 9.817 -7.515 -14.207 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.699 -8.347 -14.095 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.573 -7.605 -15.384 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.354 -9.230 -15.101 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.225 -8.487 -16.392 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.117 -9.298 -16.243 1.00 0.00 C ATOM 1009 OH TYR A 89 8.779 -10.186 -17.244 1.00 0.00 O ATOM 0 H TYR A 89 9.157 -7.700 -10.793 1.00 0.00 H new ATOM 0 HA TYR A 89 11.790 -7.685 -12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.283 -6.023 -12.749 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.848 -5.763 -13.495 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.092 -8.299 -13.203 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.442 -6.975 -15.506 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.487 -9.865 -14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.818 -8.541 -17.293 1.00 0.00 H new ATOM 0 HH TYR A 89 9.419 -10.107 -17.982 1.00 0.00 H new ATOM 1019 N LYS A 90 12.449 -5.472 -11.046 1.00 0.00 N ATOM 1020 CA LYS A 90 12.895 -4.283 -10.304 1.00 0.00 C ATOM 1021 C LYS A 90 12.490 -3.008 -11.075 1.00 0.00 C ATOM 1022 O LYS A 90 11.967 -3.097 -12.196 1.00 0.00 O ATOM 1023 CB LYS A 90 14.432 -4.337 -10.073 1.00 0.00 C ATOM 1024 CG LYS A 90 14.906 -5.583 -9.290 1.00 0.00 C ATOM 1025 CD LYS A 90 14.353 -5.656 -7.842 1.00 0.00 C ATOM 1026 CE LYS A 90 14.939 -4.585 -6.914 1.00 0.00 C ATOM 1027 NZ LYS A 90 16.425 -4.652 -6.848 1.00 0.00 N ATOM 0 H LYS A 90 13.128 -5.805 -11.730 1.00 0.00 H new ATOM 0 HA LYS A 90 12.412 -4.263 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.935 -4.315 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.740 -3.442 -9.532 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.602 -6.479 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.995 -5.586 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.269 -5.550 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.566 -6.642 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.636 -3.598 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.526 -4.709 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.763 -4.083 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.723 -5.640 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.829 -4.279 -7.731 1.00 0.00 H new ATOM 1041 N ALA A 91 12.722 -1.829 -10.465 1.00 0.00 N ATOM 1042 CA ALA A 91 12.377 -0.523 -11.065 1.00 0.00 C ATOM 1043 C ALA A 91 13.408 -0.150 -12.162 1.00 0.00 C ATOM 1044 O ALA A 91 13.121 -0.359 -13.364 1.00 0.00 O ATOM 1045 CB ALA A 91 12.281 0.558 -9.964 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.518 0.312 -11.821 1.00 0.00 O ATOM 0 H ALA A 91 13.153 -1.754 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 91 11.400 -0.589 -11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.026 1.516 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.509 0.279 -9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.239 0.642 -9.452 1.00 0.00 H new