USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 669 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 110 THR OG1 : rot 180:sc=0.000432 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.655 K(o=0.66,f=-5.2!) USER MOD Set 2.1: A 58 HIS :FLIP no HD1:sc= -0.12 F(o=-3,f=-2.5) USER MOD Set 2.2: A 67 HIS :FLIP no HD1:sc= -2.34 X(o=-2.8!,f=-2.5) USER MOD Set 3.1: A 55 SER OG : rot 86:sc= 1.96 USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc= 1 USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.666 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.576 K(o=-0.58,f=-7.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.494 USER MOD Single : A 84 GLN : amide:sc= 0.729 K(o=0.73,f=-4.3!) USER MOD Single : A 86 HIS : no HE2:sc= 0.585 K(o=0.59,f=-3.1!) USER MOD Single : A 90 HIS : no HE2:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.667 K(o=0.67,f=-7.2!) USER MOD Single : A 117 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.51) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.312 12.076 7.588 1.00 1.55 N ATOM 2 CA PRO A 31 -0.407 11.564 6.568 1.00 1.40 C ATOM 3 C PRO A 31 -1.059 10.405 5.808 1.00 1.30 C ATOM 4 O PRO A 31 -1.676 9.525 6.426 1.00 1.24 O ATOM 5 CB PRO A 31 0.863 11.127 7.308 1.00 1.35 C ATOM 6 CG PRO A 31 0.855 12.014 8.553 1.00 1.57 C ATOM 7 CD PRO A 31 -0.633 12.113 8.876 1.00 1.55 C ATOM 0 HA PRO A 31 -0.168 12.318 5.818 1.00 1.40 H new ATOM 0 HB2 PRO A 31 0.836 10.068 7.566 1.00 1.35 H new ATOM 0 HB3 PRO A 31 1.757 11.286 6.705 1.00 1.35 H new ATOM 0 HG2 PRO A 31 1.420 11.569 9.372 1.00 1.57 H new ATOM 0 HG3 PRO A 31 1.294 12.992 8.358 1.00 1.57 H new ATOM 0 HD2 PRO A 31 -0.953 11.288 9.512 1.00 1.55 H new ATOM 0 HD3 PRO A 31 -0.858 13.035 9.412 1.00 1.55 H new ATOM 15 N VAL A 32 -0.894 10.378 4.483 1.00 1.31 N ATOM 16 CA VAL A 32 -1.445 9.324 3.601 1.00 1.33 C ATOM 17 C VAL A 32 -1.095 7.902 4.069 1.00 1.09 C ATOM 18 O VAL A 32 -1.853 6.958 3.865 1.00 1.01 O ATOM 19 CB VAL A 32 -0.992 9.565 2.142 1.00 1.54 C ATOM 20 CG1 VAL A 32 0.531 9.610 1.953 1.00 3.06 C ATOM 21 CG2 VAL A 32 -1.545 8.498 1.195 1.00 2.19 C ATOM 0 H VAL A 32 -0.369 11.092 3.978 1.00 1.31 H new ATOM 0 HA VAL A 32 -2.531 9.394 3.654 1.00 1.33 H new ATOM 0 HB VAL A 32 -1.395 10.549 1.902 1.00 1.54 H new ATOM 0 HG11 VAL A 32 0.762 9.783 0.902 1.00 3.06 H new ATOM 0 HG12 VAL A 32 0.948 10.418 2.554 1.00 3.06 H new ATOM 0 HG13 VAL A 32 0.965 8.661 2.269 1.00 3.06 H new ATOM 0 HG21 VAL A 32 -1.205 8.701 0.180 1.00 2.19 H new ATOM 0 HG22 VAL A 32 -1.190 7.516 1.507 1.00 2.19 H new ATOM 0 HG23 VAL A 32 -2.634 8.516 1.223 1.00 2.19 H new ATOM 31 N GLU A 33 0.020 7.755 4.780 1.00 0.98 N ATOM 32 CA GLU A 33 0.573 6.473 5.224 1.00 0.86 C ATOM 33 C GLU A 33 -0.130 5.942 6.495 1.00 0.75 C ATOM 34 O GLU A 33 -0.438 4.754 6.635 1.00 0.69 O ATOM 35 CB GLU A 33 2.111 6.611 5.264 1.00 0.93 C ATOM 36 CG GLU A 33 2.734 7.038 6.594 1.00 1.05 C ATOM 37 CD GLU A 33 4.061 7.798 6.433 1.00 1.32 C ATOM 38 OE1 GLU A 33 5.135 7.153 6.352 1.00 2.19 O ATOM 39 OE2 GLU A 33 4.064 9.056 6.456 1.00 2.31 O ATOM 0 H GLU A 33 0.585 8.552 5.074 1.00 0.98 H new ATOM 0 HA GLU A 33 0.361 5.669 4.519 1.00 0.86 H new ATOM 0 HB2 GLU A 33 2.545 5.653 4.979 1.00 0.93 H new ATOM 0 HB3 GLU A 33 2.406 7.334 4.504 1.00 0.93 H new ATOM 0 HG2 GLU A 33 2.026 7.669 7.132 1.00 1.05 H new ATOM 0 HG3 GLU A 33 2.903 6.153 7.208 1.00 1.05 H new ATOM 46 N ALA A 34 -0.537 6.870 7.358 1.00 0.83 N ATOM 47 CA ALA A 34 -1.402 6.608 8.502 1.00 0.84 C ATOM 48 C ALA A 34 -2.880 6.396 8.083 1.00 0.88 C ATOM 49 O ALA A 34 -3.591 5.576 8.681 1.00 0.82 O ATOM 50 CB ALA A 34 -1.200 7.771 9.480 1.00 0.98 C ATOM 0 H ALA A 34 -0.266 7.850 7.277 1.00 0.83 H new ATOM 0 HA ALA A 34 -1.135 5.670 8.990 1.00 0.84 H new ATOM 0 HB1 ALA A 34 -1.829 7.622 10.358 1.00 0.98 H new ATOM 0 HB2 ALA A 34 -0.154 7.812 9.785 1.00 0.98 H new ATOM 0 HB3 ALA A 34 -1.473 8.707 8.993 1.00 0.98 H new ATOM 56 N ALA A 35 -3.323 7.085 7.019 1.00 1.02 N ATOM 57 CA ALA A 35 -4.639 6.885 6.400 1.00 1.09 C ATOM 58 C ALA A 35 -4.808 5.461 5.838 1.00 0.98 C ATOM 59 O ALA A 35 -5.696 4.721 6.270 1.00 0.91 O ATOM 60 CB ALA A 35 -4.835 7.925 5.289 1.00 1.33 C ATOM 0 H ALA A 35 -2.767 7.807 6.560 1.00 1.02 H new ATOM 0 HA ALA A 35 -5.400 7.013 7.170 1.00 1.09 H new ATOM 0 HB1 ALA A 35 -5.811 7.782 4.825 1.00 1.33 H new ATOM 0 HB2 ALA A 35 -4.779 8.927 5.715 1.00 1.33 H new ATOM 0 HB3 ALA A 35 -4.055 7.806 4.537 1.00 1.33 H new ATOM 66 N ILE A 36 -3.905 5.046 4.935 1.00 1.01 N ATOM 67 CA ILE A 36 -3.888 3.681 4.394 1.00 0.98 C ATOM 68 C ILE A 36 -3.743 2.658 5.516 1.00 0.82 C ATOM 69 O ILE A 36 -4.524 1.711 5.551 1.00 0.81 O ATOM 70 CB ILE A 36 -2.792 3.502 3.325 1.00 1.08 C ATOM 71 CG1 ILE A 36 -2.923 2.138 2.617 1.00 1.85 C ATOM 72 CG2 ILE A 36 -1.376 3.698 3.874 1.00 1.54 C ATOM 73 CD1 ILE A 36 -1.739 1.826 1.700 1.00 2.17 C ATOM 0 H ILE A 36 -3.170 5.646 4.562 1.00 1.01 H new ATOM 0 HA ILE A 36 -4.844 3.509 3.900 1.00 0.98 H new ATOM 0 HB ILE A 36 -2.951 4.293 2.592 1.00 1.08 H new ATOM 0 HG12 ILE A 36 -3.012 1.352 3.367 1.00 1.85 H new ATOM 0 HG13 ILE A 36 -3.842 2.125 2.032 1.00 1.85 H new ATOM 0 HG21 ILE A 36 -0.652 3.558 3.071 1.00 1.54 H new ATOM 0 HG22 ILE A 36 -1.279 4.705 4.279 1.00 1.54 H new ATOM 0 HG23 ILE A 36 -1.188 2.970 4.663 1.00 1.54 H new ATOM 0 HD11 ILE A 36 -1.889 0.854 1.230 1.00 2.17 H new ATOM 0 HD12 ILE A 36 -1.663 2.593 0.930 1.00 2.17 H new ATOM 0 HD13 ILE A 36 -0.820 1.808 2.286 1.00 2.17 H new ATOM 85 N ARG A 37 -2.819 2.867 6.467 1.00 0.76 N ATOM 86 CA ARG A 37 -2.687 1.972 7.634 1.00 0.69 C ATOM 87 C ARG A 37 -4.033 1.724 8.332 1.00 0.66 C ATOM 88 O ARG A 37 -4.436 0.573 8.483 1.00 0.63 O ATOM 89 CB ARG A 37 -1.620 2.533 8.579 1.00 0.75 C ATOM 90 CG ARG A 37 -1.510 1.721 9.873 1.00 1.55 C ATOM 91 CD ARG A 37 -0.237 2.074 10.638 1.00 1.93 C ATOM 92 NE ARG A 37 -0.188 3.485 11.069 1.00 2.78 N ATOM 93 CZ ARG A 37 0.744 4.386 10.820 1.00 3.84 C ATOM 94 NH1 ARG A 37 1.788 4.156 10.078 1.00 4.75 N ATOM 95 NH2 ARG A 37 0.630 5.569 11.346 1.00 4.93 N ATOM 0 H ARG A 37 -2.155 3.641 6.454 1.00 0.76 H new ATOM 0 HA ARG A 37 -2.361 0.989 7.294 1.00 0.69 H new ATOM 0 HB2 ARG A 37 -0.655 2.539 8.072 1.00 0.75 H new ATOM 0 HB3 ARG A 37 -1.859 3.569 8.821 1.00 0.75 H new ATOM 0 HG2 ARG A 37 -2.380 1.913 10.501 1.00 1.55 H new ATOM 0 HG3 ARG A 37 -1.514 0.656 9.639 1.00 1.55 H new ATOM 0 HD2 ARG A 37 -0.158 1.431 11.514 1.00 1.93 H new ATOM 0 HD3 ARG A 37 0.627 1.863 10.008 1.00 1.93 H new ATOM 0 HE ARG A 37 -0.976 3.805 11.632 1.00 2.78 H new ATOM 0 HH11 ARG A 37 1.919 3.238 9.653 1.00 4.75 H new ATOM 0 HH12 ARG A 37 2.475 4.893 9.922 1.00 4.75 H new ATOM 0 HH21 ARG A 37 -0.170 5.788 11.940 1.00 4.93 H new ATOM 0 HH22 ARG A 37 1.340 6.278 11.165 1.00 4.93 H new ATOM 109 N THR A 38 -4.757 2.789 8.679 1.00 0.74 N ATOM 110 CA THR A 38 -6.095 2.702 9.306 1.00 0.81 C ATOM 111 C THR A 38 -7.128 1.950 8.452 1.00 0.77 C ATOM 112 O THR A 38 -7.800 1.031 8.943 1.00 0.76 O ATOM 113 CB THR A 38 -6.628 4.113 9.612 1.00 1.10 C ATOM 114 OG1 THR A 38 -5.731 4.758 10.483 1.00 1.36 O ATOM 115 CG2 THR A 38 -7.993 4.115 10.297 1.00 1.25 C ATOM 0 H THR A 38 -4.437 3.747 8.536 1.00 0.74 H new ATOM 0 HA THR A 38 -5.960 2.130 10.224 1.00 0.81 H new ATOM 0 HB THR A 38 -6.728 4.618 8.651 1.00 1.10 H new ATOM 0 HG1 THR A 38 -4.964 5.093 9.973 1.00 1.36 H new ATOM 0 HG21 THR A 38 -8.306 5.143 10.482 1.00 1.25 H new ATOM 0 HG22 THR A 38 -8.723 3.624 9.654 1.00 1.25 H new ATOM 0 HG23 THR A 38 -7.925 3.580 11.244 1.00 1.25 H new ATOM 123 N LYS A 39 -7.265 2.317 7.173 1.00 0.86 N ATOM 124 CA LYS A 39 -8.296 1.745 6.290 1.00 0.96 C ATOM 125 C LYS A 39 -7.993 0.303 5.877 1.00 0.91 C ATOM 126 O LYS A 39 -8.928 -0.465 5.647 1.00 0.97 O ATOM 127 CB LYS A 39 -8.530 2.676 5.087 1.00 1.15 C ATOM 128 CG LYS A 39 -9.205 3.981 5.543 1.00 1.48 C ATOM 129 CD LYS A 39 -9.516 4.919 4.372 1.00 2.15 C ATOM 130 CE LYS A 39 -10.098 6.259 4.851 1.00 3.25 C ATOM 131 NZ LYS A 39 -11.476 6.135 5.386 1.00 3.69 N ATOM 0 H LYS A 39 -6.672 3.013 6.721 1.00 0.86 H new ATOM 0 HA LYS A 39 -9.227 1.681 6.854 1.00 0.96 H new ATOM 0 HB2 LYS A 39 -7.580 2.901 4.602 1.00 1.15 H new ATOM 0 HB3 LYS A 39 -9.155 2.175 4.347 1.00 1.15 H new ATOM 0 HG2 LYS A 39 -10.129 3.744 6.070 1.00 1.48 H new ATOM 0 HG3 LYS A 39 -8.556 4.494 6.253 1.00 1.48 H new ATOM 0 HD2 LYS A 39 -8.605 5.102 3.801 1.00 2.15 H new ATOM 0 HD3 LYS A 39 -10.223 4.436 3.698 1.00 2.15 H new ATOM 0 HE2 LYS A 39 -9.451 6.675 5.623 1.00 3.25 H new ATOM 0 HE3 LYS A 39 -10.099 6.966 4.021 1.00 3.25 H new ATOM 0 HZ1 LYS A 39 -11.815 7.069 5.693 1.00 3.69 H new ATOM 0 HZ2 LYS A 39 -12.104 5.765 4.644 1.00 3.69 H new ATOM 0 HZ3 LYS A 39 -11.476 5.483 6.197 1.00 3.69 H new ATOM 145 N LEU A 40 -6.721 -0.095 5.837 1.00 0.84 N ATOM 146 CA LEU A 40 -6.299 -1.468 5.559 1.00 0.88 C ATOM 147 C LEU A 40 -6.347 -2.365 6.805 1.00 0.85 C ATOM 148 O LEU A 40 -6.691 -3.537 6.654 1.00 0.94 O ATOM 149 CB LEU A 40 -4.917 -1.451 4.888 1.00 0.91 C ATOM 150 CG LEU A 40 -4.921 -1.113 3.379 1.00 0.97 C ATOM 151 CD1 LEU A 40 -5.293 -2.350 2.564 1.00 1.22 C ATOM 152 CD2 LEU A 40 -5.853 0.009 2.902 1.00 1.36 C ATOM 0 H LEU A 40 -5.940 0.541 6.000 1.00 0.84 H new ATOM 0 HA LEU A 40 -7.011 -1.917 4.866 1.00 0.88 H new ATOM 0 HB2 LEU A 40 -4.289 -0.725 5.405 1.00 0.91 H new ATOM 0 HB3 LEU A 40 -4.453 -2.428 5.024 1.00 0.91 H new ATOM 0 HG LEU A 40 -3.903 -0.756 3.221 1.00 0.97 H new ATOM 0 HD11 LEU A 40 -5.293 -2.100 1.503 1.00 1.22 H new ATOM 0 HD12 LEU A 40 -4.567 -3.141 2.751 1.00 1.22 H new ATOM 0 HD13 LEU A 40 -6.286 -2.693 2.856 1.00 1.22 H new ATOM 0 HD21 LEU A 40 -5.749 0.134 1.824 1.00 1.36 H new ATOM 0 HD22 LEU A 40 -6.885 -0.249 3.140 1.00 1.36 H new ATOM 0 HD23 LEU A 40 -5.588 0.940 3.403 1.00 1.36 H new ATOM 164 N GLU A 41 -6.112 -1.838 8.019 1.00 0.77 N ATOM 165 CA GLU A 41 -6.506 -2.482 9.268 1.00 0.82 C ATOM 166 C GLU A 41 -7.992 -2.841 9.210 1.00 0.85 C ATOM 167 O GLU A 41 -8.363 -4.003 9.374 1.00 0.91 O ATOM 168 CB GLU A 41 -6.275 -1.508 10.441 1.00 0.90 C ATOM 169 CG GLU A 41 -6.406 -2.234 11.780 1.00 2.33 C ATOM 170 CD GLU A 41 -6.787 -1.340 12.975 1.00 3.08 C ATOM 171 OE1 GLU A 41 -7.005 -1.893 14.083 1.00 3.84 O ATOM 172 OE2 GLU A 41 -6.919 -0.098 12.830 1.00 3.77 O ATOM 0 H GLU A 41 -5.638 -0.945 8.154 1.00 0.77 H new ATOM 0 HA GLU A 41 -5.912 -3.385 9.411 1.00 0.82 H new ATOM 0 HB2 GLU A 41 -5.284 -1.061 10.359 1.00 0.90 H new ATOM 0 HB3 GLU A 41 -6.997 -0.693 10.391 1.00 0.90 H new ATOM 0 HG2 GLU A 41 -7.157 -3.017 11.679 1.00 2.33 H new ATOM 0 HG3 GLU A 41 -5.459 -2.727 12.002 1.00 2.33 H new ATOM 179 N GLU A 42 -8.831 -1.841 8.917 1.00 0.89 N ATOM 180 CA GLU A 42 -10.276 -2.025 8.787 1.00 0.99 C ATOM 181 C GLU A 42 -10.646 -3.070 7.716 1.00 1.13 C ATOM 182 O GLU A 42 -11.495 -3.926 7.973 1.00 1.37 O ATOM 183 CB GLU A 42 -10.913 -0.654 8.500 1.00 1.00 C ATOM 184 CG GLU A 42 -12.252 -0.457 9.215 1.00 1.78 C ATOM 185 CD GLU A 42 -13.417 -1.232 8.590 1.00 2.71 C ATOM 186 OE1 GLU A 42 -13.850 -0.875 7.464 1.00 3.31 O ATOM 187 OE2 GLU A 42 -13.985 -2.139 9.245 1.00 3.88 O ATOM 0 H GLU A 42 -8.524 -0.881 8.764 1.00 0.89 H new ATOM 0 HA GLU A 42 -10.670 -2.425 9.721 1.00 0.99 H new ATOM 0 HB2 GLU A 42 -10.224 0.133 8.807 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -11.061 -0.546 7.426 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -12.144 -0.762 10.256 1.00 1.78 H new ATOM 0 HG3 GLU A 42 -12.497 0.605 9.218 1.00 1.78 H new ATOM 194 N ALA A 43 -9.983 -3.056 6.553 1.00 1.08 N ATOM 195 CA ALA A 43 -10.335 -3.901 5.411 1.00 1.24 C ATOM 196 C ALA A 43 -9.872 -5.369 5.476 1.00 1.28 C ATOM 197 O ALA A 43 -10.677 -6.249 5.170 1.00 1.44 O ATOM 198 CB ALA A 43 -9.796 -3.250 4.132 1.00 1.27 C ATOM 0 H ALA A 43 -9.180 -2.451 6.379 1.00 1.08 H new ATOM 0 HA ALA A 43 -11.423 -3.961 5.425 1.00 1.24 H new ATOM 0 HB1 ALA A 43 -10.052 -3.870 3.273 1.00 1.27 H new ATOM 0 HB2 ALA A 43 -10.240 -2.262 4.012 1.00 1.27 H new ATOM 0 HB3 ALA A 43 -8.712 -3.155 4.201 1.00 1.27 H new ATOM 204 N LEU A 44 -8.577 -5.638 5.719 1.00 1.14 N ATOM 205 CA LEU A 44 -7.959 -6.938 5.400 1.00 1.15 C ATOM 206 C LEU A 44 -7.055 -7.568 6.473 1.00 1.19 C ATOM 207 O LEU A 44 -6.380 -8.560 6.194 1.00 1.40 O ATOM 208 CB LEU A 44 -7.365 -6.904 4.000 1.00 1.06 C ATOM 209 CG LEU A 44 -6.236 -5.911 3.712 1.00 0.89 C ATOM 210 CD1 LEU A 44 -4.857 -6.411 4.148 1.00 0.99 C ATOM 211 CD2 LEU A 44 -6.262 -5.782 2.199 1.00 1.48 C ATOM 0 H LEU A 44 -7.934 -4.967 6.139 1.00 1.14 H new ATOM 0 HA LEU A 44 -8.775 -7.660 5.409 1.00 1.15 H new ATOM 0 HB2 LEU A 44 -6.994 -7.903 3.772 1.00 1.06 H new ATOM 0 HB3 LEU A 44 -8.175 -6.698 3.301 1.00 1.06 H new ATOM 0 HG LEU A 44 -6.389 -4.981 4.259 1.00 0.89 H new ATOM 0 HD11 LEU A 44 -4.106 -5.657 3.913 1.00 0.99 H new ATOM 0 HD12 LEU A 44 -4.861 -6.598 5.222 1.00 0.99 H new ATOM 0 HD13 LEU A 44 -4.621 -7.335 3.620 1.00 0.99 H new ATOM 0 HD21 LEU A 44 -5.485 -5.087 1.880 1.00 1.48 H new ATOM 0 HD22 LEU A 44 -6.083 -6.758 1.748 1.00 1.48 H new ATOM 0 HD23 LEU A 44 -7.236 -5.408 1.882 1.00 1.48 H new ATOM 223 N SER A 45 -6.994 -6.964 7.664 1.00 1.19 N ATOM 224 CA SER A 45 -6.127 -7.363 8.790 1.00 1.27 C ATOM 225 C SER A 45 -4.691 -7.751 8.367 1.00 1.10 C ATOM 226 O SER A 45 -4.327 -8.934 8.361 1.00 1.29 O ATOM 227 CB SER A 45 -6.787 -8.433 9.655 1.00 1.69 C ATOM 228 OG SER A 45 -7.908 -7.863 10.306 1.00 2.07 O ATOM 0 H SER A 45 -7.568 -6.150 7.884 1.00 1.19 H new ATOM 0 HA SER A 45 -6.007 -6.471 9.405 1.00 1.27 H new ATOM 0 HB2 SER A 45 -7.097 -9.278 9.040 1.00 1.69 H new ATOM 0 HB3 SER A 45 -6.078 -8.816 10.389 1.00 1.69 H new ATOM 0 HG SER A 45 -8.342 -8.542 10.864 1.00 2.07 H new ATOM 234 N PRO A 46 -3.858 -6.761 7.986 1.00 0.83 N ATOM 235 CA PRO A 46 -2.471 -6.970 7.579 1.00 0.70 C ATOM 236 C PRO A 46 -1.616 -7.701 8.617 1.00 0.86 C ATOM 237 O PRO A 46 -1.850 -7.582 9.824 1.00 1.10 O ATOM 238 CB PRO A 46 -1.894 -5.569 7.376 1.00 0.67 C ATOM 239 CG PRO A 46 -3.090 -4.657 7.146 1.00 0.70 C ATOM 240 CD PRO A 46 -4.209 -5.350 7.909 1.00 0.81 C ATOM 0 HA PRO A 46 -2.456 -7.599 6.689 1.00 0.70 H new ATOM 0 HB2 PRO A 46 -1.322 -5.252 8.248 1.00 0.67 H new ATOM 0 HB3 PRO A 46 -1.215 -5.546 6.524 1.00 0.67 H new ATOM 0 HG2 PRO A 46 -2.908 -3.651 7.524 1.00 0.70 H new ATOM 0 HG3 PRO A 46 -3.325 -4.561 6.086 1.00 0.70 H new ATOM 0 HD2 PRO A 46 -4.318 -4.924 8.906 1.00 0.81 H new ATOM 0 HD3 PRO A 46 -5.164 -5.217 7.400 1.00 0.81 H new ATOM 248 N GLU A 47 -0.567 -8.382 8.156 1.00 0.79 N ATOM 249 CA GLU A 47 0.604 -8.720 8.948 1.00 0.91 C ATOM 250 C GLU A 47 1.662 -7.618 8.920 1.00 0.98 C ATOM 251 O GLU A 47 2.258 -7.344 9.961 1.00 1.19 O ATOM 252 CB GLU A 47 1.169 -10.057 8.472 1.00 0.80 C ATOM 253 CG GLU A 47 1.548 -10.971 9.627 1.00 0.81 C ATOM 254 CD GLU A 47 0.381 -11.800 10.183 1.00 1.16 C ATOM 255 OE1 GLU A 47 0.638 -12.896 10.737 1.00 2.22 O ATOM 256 OE2 GLU A 47 -0.801 -11.391 10.068 1.00 2.32 O ATOM 0 H GLU A 47 -0.512 -8.720 7.195 1.00 0.79 H new ATOM 0 HA GLU A 47 0.298 -8.814 9.990 1.00 0.91 H new ATOM 0 HB2 GLU A 47 0.432 -10.557 7.844 1.00 0.80 H new ATOM 0 HB3 GLU A 47 2.047 -9.877 7.852 1.00 0.80 H new ATOM 0 HG2 GLU A 47 2.335 -11.649 9.296 1.00 0.81 H new ATOM 0 HG3 GLU A 47 1.965 -10.366 10.432 1.00 0.81 H new ATOM 263 N VAL A 48 1.852 -6.917 7.793 1.00 0.85 N ATOM 264 CA VAL A 48 2.607 -5.670 7.773 1.00 0.93 C ATOM 265 C VAL A 48 1.918 -4.662 6.879 1.00 0.99 C ATOM 266 O VAL A 48 1.211 -5.015 5.930 1.00 1.35 O ATOM 267 CB VAL A 48 4.033 -5.822 7.235 1.00 1.42 C ATOM 268 CG1 VAL A 48 4.929 -6.771 7.978 1.00 0.77 C ATOM 269 CG2 VAL A 48 4.059 -6.268 5.797 1.00 2.69 C ATOM 0 H VAL A 48 1.489 -7.200 6.883 1.00 0.85 H new ATOM 0 HA VAL A 48 2.654 -5.347 8.813 1.00 0.93 H new ATOM 0 HB VAL A 48 4.420 -4.812 7.368 1.00 1.42 H new ATOM 0 HG11 VAL A 48 5.910 -6.793 7.503 1.00 0.77 H new ATOM 0 HG12 VAL A 48 5.033 -6.439 9.011 1.00 0.77 H new ATOM 0 HG13 VAL A 48 4.495 -7.771 7.960 1.00 0.77 H new ATOM 0 HG21 VAL A 48 5.093 -6.361 5.463 1.00 2.69 H new ATOM 0 HG22 VAL A 48 3.561 -7.233 5.706 1.00 2.69 H new ATOM 0 HG23 VAL A 48 3.543 -5.534 5.179 1.00 2.69 H new ATOM 279 N LEU A 49 2.319 -3.417 7.078 1.00 1.01 N ATOM 280 CA LEU A 49 2.623 -2.587 5.927 1.00 1.03 C ATOM 281 C LEU A 49 3.894 -1.751 6.176 1.00 1.05 C ATOM 282 O LEU A 49 4.034 -1.057 7.183 1.00 1.29 O ATOM 283 CB LEU A 49 1.372 -1.832 5.398 1.00 1.65 C ATOM 284 CG LEU A 49 0.385 -1.120 6.359 1.00 1.14 C ATOM 285 CD1 LEU A 49 -0.667 -2.013 7.026 1.00 2.46 C ATOM 286 CD2 LEU A 49 1.114 -0.415 7.475 1.00 2.49 C ATOM 0 H LEU A 49 2.438 -2.973 7.988 1.00 1.01 H new ATOM 0 HA LEU A 49 2.886 -3.218 5.078 1.00 1.03 H new ATOM 0 HB2 LEU A 49 1.731 -1.078 4.698 1.00 1.65 H new ATOM 0 HB3 LEU A 49 0.789 -2.551 4.822 1.00 1.65 H new ATOM 0 HG LEU A 49 -0.135 -0.431 5.693 1.00 1.14 H new ATOM 0 HD11 LEU A 49 -1.300 -1.407 7.675 1.00 2.46 H new ATOM 0 HD12 LEU A 49 -1.281 -2.487 6.260 1.00 2.46 H new ATOM 0 HD13 LEU A 49 -0.170 -2.781 7.619 1.00 2.46 H new ATOM 0 HD21 LEU A 49 0.392 0.073 8.130 1.00 2.49 H new ATOM 0 HD22 LEU A 49 1.691 -1.141 8.048 1.00 2.49 H new ATOM 0 HD23 LEU A 49 1.787 0.333 7.055 1.00 2.49 H new ATOM 298 N GLU A 50 4.868 -1.871 5.274 1.00 0.90 N ATOM 299 CA GLU A 50 6.169 -1.189 5.354 1.00 0.93 C ATOM 300 C GLU A 50 6.377 -0.323 4.123 1.00 0.98 C ATOM 301 O GLU A 50 6.477 -0.770 2.983 1.00 1.10 O ATOM 302 CB GLU A 50 7.328 -2.158 5.502 1.00 0.97 C ATOM 303 CG GLU A 50 7.353 -2.860 6.866 1.00 0.90 C ATOM 304 CD GLU A 50 8.345 -2.188 7.818 1.00 1.31 C ATOM 305 OE1 GLU A 50 7.929 -1.344 8.651 1.00 2.65 O ATOM 306 OE2 GLU A 50 9.561 -2.472 7.746 1.00 1.76 O ATOM 0 H GLU A 50 4.776 -2.459 4.445 1.00 0.90 H new ATOM 0 HA GLU A 50 6.150 -0.568 6.250 1.00 0.93 H new ATOM 0 HB2 GLU A 50 7.269 -2.909 4.714 1.00 0.97 H new ATOM 0 HB3 GLU A 50 8.265 -1.619 5.360 1.00 0.97 H new ATOM 0 HG2 GLU A 50 6.355 -2.843 7.305 1.00 0.90 H new ATOM 0 HG3 GLU A 50 7.625 -3.907 6.734 1.00 0.90 H new ATOM 313 N LEU A 51 6.309 0.960 4.394 1.00 0.89 N ATOM 314 CA LEU A 51 5.955 1.979 3.403 1.00 0.79 C ATOM 315 C LEU A 51 6.627 3.349 3.638 1.00 0.80 C ATOM 316 O LEU A 51 7.003 3.676 4.770 1.00 0.85 O ATOM 317 CB LEU A 51 4.415 1.986 3.277 1.00 0.81 C ATOM 318 CG LEU A 51 3.640 2.792 4.320 1.00 0.90 C ATOM 319 CD1 LEU A 51 2.131 2.618 4.145 1.00 1.25 C ATOM 320 CD2 LEU A 51 3.962 2.439 5.770 1.00 1.03 C ATOM 0 H LEU A 51 6.499 1.342 5.320 1.00 0.89 H new ATOM 0 HA LEU A 51 6.372 1.723 2.429 1.00 0.79 H new ATOM 0 HB2 LEU A 51 4.157 2.371 2.290 1.00 0.81 H new ATOM 0 HB3 LEU A 51 4.066 0.954 3.318 1.00 0.81 H new ATOM 0 HG LEU A 51 3.957 3.819 4.140 1.00 0.90 H new ATOM 0 HD11 LEU A 51 1.607 3.203 4.901 1.00 1.25 H new ATOM 0 HD12 LEU A 51 1.838 2.961 3.153 1.00 1.25 H new ATOM 0 HD13 LEU A 51 1.871 1.565 4.256 1.00 1.25 H new ATOM 0 HD21 LEU A 51 3.365 3.061 6.437 1.00 1.03 H new ATOM 0 HD22 LEU A 51 3.730 1.389 5.949 1.00 1.03 H new ATOM 0 HD23 LEU A 51 5.021 2.615 5.961 1.00 1.03 H new ATOM 332 N ARG A 52 6.796 4.141 2.572 1.00 0.82 N ATOM 333 CA ARG A 52 7.578 5.397 2.562 1.00 0.91 C ATOM 334 C ARG A 52 7.141 6.355 1.451 1.00 0.95 C ATOM 335 O ARG A 52 7.089 5.970 0.284 1.00 1.15 O ATOM 336 CB ARG A 52 9.066 5.038 2.404 1.00 1.03 C ATOM 337 CG ARG A 52 9.998 6.252 2.254 1.00 1.65 C ATOM 338 CD ARG A 52 11.454 5.784 2.299 1.00 2.57 C ATOM 339 NE ARG A 52 12.391 6.876 2.002 1.00 3.39 N ATOM 340 CZ ARG A 52 13.631 6.984 2.427 1.00 4.40 C ATOM 341 NH1 ARG A 52 14.225 6.074 3.146 1.00 5.34 N ATOM 342 NH2 ARG A 52 14.295 8.049 2.114 1.00 5.14 N ATOM 0 H ARG A 52 6.384 3.925 1.664 1.00 0.82 H new ATOM 0 HA ARG A 52 7.403 5.919 3.503 1.00 0.91 H new ATOM 0 HB2 ARG A 52 9.382 4.458 3.271 1.00 1.03 H new ATOM 0 HB3 ARG A 52 9.182 4.396 1.531 1.00 1.03 H new ATOM 0 HG2 ARG A 52 9.798 6.764 1.313 1.00 1.65 H new ATOM 0 HG3 ARG A 52 9.810 6.969 3.053 1.00 1.65 H new ATOM 0 HD2 ARG A 52 11.674 5.376 3.286 1.00 2.57 H new ATOM 0 HD3 ARG A 52 11.598 4.977 1.581 1.00 2.57 H new ATOM 0 HE ARG A 52 12.044 7.627 1.405 1.00 3.39 H new ATOM 0 HH11 ARG A 52 13.725 5.224 3.407 1.00 5.34 H new ATOM 0 HH12 ARG A 52 15.190 6.212 3.448 1.00 5.34 H new ATOM 0 HH21 ARG A 52 13.855 8.777 1.552 1.00 5.14 H new ATOM 0 HH22 ARG A 52 15.259 8.160 2.430 1.00 5.14 H new ATOM 356 N ASN A 53 6.874 7.614 1.788 1.00 0.86 N ATOM 357 CA ASN A 53 6.566 8.689 0.832 1.00 0.78 C ATOM 358 C ASN A 53 7.744 9.679 0.702 1.00 0.88 C ATOM 359 O ASN A 53 8.131 10.328 1.670 1.00 1.30 O ATOM 360 CB ASN A 53 5.204 9.308 1.213 1.00 0.91 C ATOM 361 CG ASN A 53 5.086 10.816 1.069 1.00 1.47 C ATOM 362 OD1 ASN A 53 5.578 11.439 0.145 1.00 2.42 O ATOM 363 ND2 ASN A 53 4.418 11.460 1.991 1.00 1.28 N ATOM 0 H ASN A 53 6.864 7.929 2.758 1.00 0.86 H new ATOM 0 HA ASN A 53 6.454 8.301 -0.180 1.00 0.78 H new ATOM 0 HB2 ASN A 53 4.433 8.844 0.597 1.00 0.91 H new ATOM 0 HB3 ASN A 53 4.986 9.045 2.248 1.00 0.91 H new ATOM 0 HD21 ASN A 53 4.314 12.473 1.931 1.00 1.28 H new ATOM 0 HD22 ASN A 53 4.001 10.949 2.769 1.00 1.28 H new ATOM 370 N GLU A 54 8.276 9.828 -0.514 1.00 1.22 N ATOM 371 CA GLU A 54 9.421 10.706 -0.843 1.00 1.72 C ATOM 372 C GLU A 54 9.016 12.036 -1.528 1.00 1.31 C ATOM 373 O GLU A 54 9.869 12.820 -1.943 1.00 1.48 O ATOM 374 CB GLU A 54 10.436 9.923 -1.700 1.00 2.61 C ATOM 375 CG GLU A 54 11.890 10.405 -1.556 1.00 3.97 C ATOM 376 CD GLU A 54 12.718 9.479 -0.659 1.00 5.54 C ATOM 377 OE1 GLU A 54 13.701 8.872 -1.158 1.00 6.00 O ATOM 378 OE2 GLU A 54 12.427 9.374 0.553 1.00 6.82 O ATOM 0 H GLU A 54 7.916 9.329 -1.328 1.00 1.22 H new ATOM 0 HA GLU A 54 9.880 11.002 0.101 1.00 1.72 H new ATOM 0 HB2 GLU A 54 10.386 8.869 -1.428 1.00 2.61 H new ATOM 0 HB3 GLU A 54 10.143 9.997 -2.747 1.00 2.61 H new ATOM 0 HG2 GLU A 54 12.352 10.462 -2.542 1.00 3.97 H new ATOM 0 HG3 GLU A 54 11.898 11.413 -1.141 1.00 3.97 H new ATOM 385 N SER A 55 7.712 12.308 -1.662 1.00 0.85 N ATOM 386 CA SER A 55 7.131 13.476 -2.337 1.00 0.64 C ATOM 387 C SER A 55 7.715 14.842 -1.945 1.00 0.93 C ATOM 388 O SER A 55 7.791 15.720 -2.805 1.00 1.14 O ATOM 389 CB SER A 55 5.633 13.452 -2.060 1.00 0.58 C ATOM 390 OG SER A 55 4.931 14.451 -2.769 1.00 2.02 O ATOM 0 H SER A 55 6.997 11.688 -1.283 1.00 0.85 H new ATOM 0 HA SER A 55 7.376 13.384 -3.395 1.00 0.64 H new ATOM 0 HB2 SER A 55 5.234 12.474 -2.328 1.00 0.58 H new ATOM 0 HB3 SER A 55 5.463 13.584 -0.991 1.00 0.58 H new ATOM 0 HG SER A 55 4.704 14.119 -3.663 1.00 2.02 H new ATOM 396 N GLY A 56 8.248 15.035 -0.732 1.00 1.32 N ATOM 397 CA GLY A 56 8.865 16.321 -0.370 1.00 1.86 C ATOM 398 C GLY A 56 10.150 16.630 -1.163 1.00 1.92 C ATOM 399 O GLY A 56 10.478 17.804 -1.369 1.00 2.31 O ATOM 0 H GLY A 56 8.266 14.331 0.006 1.00 1.32 H new ATOM 0 HA2 GLY A 56 8.143 17.121 -0.536 1.00 1.86 H new ATOM 0 HA3 GLY A 56 9.097 16.317 0.695 1.00 1.86 H new ATOM 403 N GLY A 57 10.773 15.608 -1.767 1.00 1.75 N ATOM 404 CA GLY A 57 11.858 15.736 -2.746 1.00 1.94 C ATOM 405 C GLY A 57 11.419 16.300 -4.106 1.00 1.76 C ATOM 406 O GLY A 57 12.257 16.780 -4.868 1.00 2.72 O ATOM 0 H GLY A 57 10.525 14.636 -1.580 1.00 1.75 H new ATOM 0 HA2 GLY A 57 12.632 16.382 -2.331 1.00 1.94 H new ATOM 0 HA3 GLY A 57 12.309 14.756 -2.901 1.00 1.94 H new ATOM 410 N HIS A 58 10.114 16.327 -4.396 1.00 1.21 N ATOM 411 CA HIS A 58 9.522 16.954 -5.589 1.00 1.17 C ATOM 412 C HIS A 58 9.276 18.466 -5.390 1.00 1.28 C ATOM 413 O HIS A 58 8.654 19.111 -6.237 1.00 2.15 O ATOM 414 CB HIS A 58 8.255 16.181 -6.021 1.00 1.05 C ATOM 415 CG HIS A 58 8.548 14.748 -6.412 1.00 1.15 C ATOM 416 ND1 HIS A 58 9.005 13.747 -5.596 1.00 1.40 N flip ATOM 417 CD2 HIS A 58 8.503 14.227 -7.686 1.00 1.24 C flip ATOM 418 CE1 HIS A 58 9.301 12.634 -6.383 1.00 1.53 C flip ATOM 419 NE2 HIS A 58 8.961 12.967 -7.639 1.00 1.44 N flip ATOM 0 H HIS A 58 9.415 15.900 -3.788 1.00 1.21 H new ATOM 0 HA HIS A 58 10.238 16.888 -6.408 1.00 1.17 H new ATOM 0 HB2 HIS A 58 7.533 16.190 -5.204 1.00 1.05 H new ATOM 0 HB3 HIS A 58 7.790 16.695 -6.863 1.00 1.05 H new ATOM 0 HD2 HIS A 58 8.159 14.743 -8.570 1.00 1.24 H new ATOM 0 HE1 HIS A 58 9.719 11.695 -6.050 1.00 1.53 H new ATOM 0 HE2 HIS A 58 9.040 12.348 -8.445 1.00 1.44 H new ATOM 427 N ALA A 59 9.761 19.034 -4.276 1.00 2.58 N ATOM 428 CA ALA A 59 9.605 20.436 -3.877 1.00 2.91 C ATOM 429 C ALA A 59 8.136 20.909 -3.814 1.00 2.51 C ATOM 430 O ALA A 59 7.831 22.079 -4.069 1.00 3.00 O ATOM 431 CB ALA A 59 10.537 21.325 -4.718 1.00 3.60 C ATOM 0 H ALA A 59 10.300 18.498 -3.596 1.00 2.58 H new ATOM 0 HA ALA A 59 9.924 20.532 -2.839 1.00 2.91 H new ATOM 0 HB1 ALA A 59 10.417 22.366 -4.417 1.00 3.60 H new ATOM 0 HB2 ALA A 59 11.571 21.019 -4.561 1.00 3.60 H new ATOM 0 HB3 ALA A 59 10.284 21.221 -5.773 1.00 3.60 H new ATOM 437 N VAL A 60 7.208 19.993 -3.516 1.00 1.76 N ATOM 438 CA VAL A 60 5.766 20.275 -3.423 1.00 1.39 C ATOM 439 C VAL A 60 5.422 21.044 -2.135 1.00 1.50 C ATOM 440 O VAL A 60 6.145 20.913 -1.139 1.00 1.85 O ATOM 441 CB VAL A 60 4.921 18.987 -3.550 1.00 1.05 C ATOM 442 CG1 VAL A 60 5.151 18.312 -4.905 1.00 1.18 C ATOM 443 CG2 VAL A 60 5.172 17.985 -2.419 1.00 1.17 C ATOM 0 H VAL A 60 7.439 19.017 -3.329 1.00 1.76 H new ATOM 0 HA VAL A 60 5.511 20.916 -4.267 1.00 1.39 H new ATOM 0 HB VAL A 60 3.881 19.303 -3.472 1.00 1.05 H new ATOM 0 HG11 VAL A 60 4.545 17.408 -4.969 1.00 1.18 H new ATOM 0 HG12 VAL A 60 4.868 18.996 -5.705 1.00 1.18 H new ATOM 0 HG13 VAL A 60 6.204 18.050 -5.007 1.00 1.18 H new ATOM 0 HG21 VAL A 60 4.548 17.104 -2.568 1.00 1.17 H new ATOM 0 HG22 VAL A 60 6.221 17.691 -2.420 1.00 1.17 H new ATOM 0 HG23 VAL A 60 4.926 18.446 -1.463 1.00 1.17 H new ATOM 453 N PRO A 61 4.321 21.821 -2.106 1.00 1.40 N ATOM 454 CA PRO A 61 3.867 22.503 -0.893 1.00 1.59 C ATOM 455 C PRO A 61 3.548 21.543 0.273 1.00 1.76 C ATOM 456 O PRO A 61 3.359 20.338 0.061 1.00 1.58 O ATOM 457 CB PRO A 61 2.615 23.293 -1.308 1.00 1.61 C ATOM 458 CG PRO A 61 2.796 23.495 -2.811 1.00 1.73 C ATOM 459 CD PRO A 61 3.480 22.200 -3.235 1.00 1.44 C ATOM 0 HA PRO A 61 4.661 23.144 -0.510 1.00 1.59 H new ATOM 0 HB2 PRO A 61 1.702 22.742 -1.085 1.00 1.61 H new ATOM 0 HB3 PRO A 61 2.549 24.245 -0.781 1.00 1.61 H new ATOM 0 HG2 PRO A 61 1.842 23.636 -3.320 1.00 1.73 H new ATOM 0 HG3 PRO A 61 3.408 24.369 -3.033 1.00 1.73 H new ATOM 0 HD2 PRO A 61 2.748 21.424 -3.458 1.00 1.44 H new ATOM 0 HD3 PRO A 61 4.075 22.346 -4.137 1.00 1.44 H new ATOM 467 N PRO A 62 3.432 22.052 1.513 1.00 2.30 N ATOM 468 CA PRO A 62 2.793 21.317 2.603 1.00 2.92 C ATOM 469 C PRO A 62 1.331 20.933 2.280 1.00 2.96 C ATOM 470 O PRO A 62 0.682 21.500 1.393 1.00 2.86 O ATOM 471 CB PRO A 62 2.945 22.193 3.854 1.00 3.51 C ATOM 472 CG PRO A 62 3.263 23.594 3.324 1.00 3.07 C ATOM 473 CD PRO A 62 3.906 23.354 1.962 1.00 2.53 C ATOM 0 HA PRO A 62 3.272 20.352 2.766 1.00 2.92 H new ATOM 0 HB2 PRO A 62 2.031 22.194 4.448 1.00 3.51 H new ATOM 0 HB3 PRO A 62 3.743 21.825 4.498 1.00 3.51 H new ATOM 0 HG2 PRO A 62 2.360 24.198 3.235 1.00 3.07 H new ATOM 0 HG3 PRO A 62 3.939 24.127 3.993 1.00 3.07 H new ATOM 0 HD2 PRO A 62 3.625 24.135 1.256 1.00 2.53 H new ATOM 0 HD3 PRO A 62 4.993 23.368 2.037 1.00 2.53 H new ATOM 481 N GLY A 63 0.829 19.917 2.978 1.00 3.46 N ATOM 482 CA GLY A 63 -0.449 19.230 2.750 1.00 3.71 C ATOM 483 C GLY A 63 -0.413 18.176 1.630 1.00 2.98 C ATOM 484 O GLY A 63 -1.006 17.105 1.785 1.00 2.90 O ATOM 0 H GLY A 63 1.334 19.522 3.771 1.00 3.46 H new ATOM 0 HA2 GLY A 63 -0.758 18.747 3.677 1.00 3.71 H new ATOM 0 HA3 GLY A 63 -1.209 19.973 2.509 1.00 3.71 H new ATOM 488 N SER A 64 0.357 18.409 0.559 1.00 2.48 N ATOM 489 CA SER A 64 0.490 17.499 -0.579 1.00 1.89 C ATOM 490 C SER A 64 1.459 16.358 -0.270 1.00 1.37 C ATOM 491 O SER A 64 2.587 16.574 0.175 1.00 1.41 O ATOM 492 CB SER A 64 0.962 18.241 -1.837 1.00 1.64 C ATOM 493 OG SER A 64 -0.010 19.167 -2.295 1.00 2.06 O ATOM 0 H SER A 64 0.917 19.256 0.461 1.00 2.48 H new ATOM 0 HA SER A 64 -0.499 17.082 -0.766 1.00 1.89 H new ATOM 0 HB2 SER A 64 1.892 18.766 -1.622 1.00 1.64 H new ATOM 0 HB3 SER A 64 1.178 17.520 -2.625 1.00 1.64 H new ATOM 0 HG SER A 64 0.324 19.623 -3.096 1.00 2.06 H new ATOM 499 N GLU A 65 1.025 15.137 -0.551 1.00 1.24 N ATOM 500 CA GLU A 65 1.811 13.897 -0.480 1.00 0.97 C ATOM 501 C GLU A 65 1.537 13.084 -1.761 1.00 0.98 C ATOM 502 O GLU A 65 0.628 12.257 -1.820 1.00 1.20 O ATOM 503 CB GLU A 65 1.476 13.124 0.816 1.00 1.16 C ATOM 504 CG GLU A 65 1.937 13.869 2.086 1.00 1.10 C ATOM 505 CD GLU A 65 1.499 13.175 3.383 1.00 1.28 C ATOM 506 OE1 GLU A 65 2.373 12.816 4.217 1.00 2.39 O ATOM 507 OE2 GLU A 65 0.269 13.059 3.605 1.00 2.05 O ATOM 0 H GLU A 65 0.065 14.968 -0.851 1.00 1.24 H new ATOM 0 HA GLU A 65 2.879 14.108 -0.433 1.00 0.97 H new ATOM 0 HB2 GLU A 65 0.400 12.957 0.867 1.00 1.16 H new ATOM 0 HB3 GLU A 65 1.950 12.143 0.782 1.00 1.16 H new ATOM 0 HG2 GLU A 65 3.024 13.954 2.076 1.00 1.10 H new ATOM 0 HG3 GLU A 65 1.537 14.883 2.071 1.00 1.10 H new ATOM 514 N THR A 66 2.284 13.384 -2.830 1.00 0.91 N ATOM 515 CA THR A 66 1.993 12.966 -4.213 1.00 1.07 C ATOM 516 C THR A 66 2.559 11.595 -4.580 1.00 1.07 C ATOM 517 O THR A 66 2.229 11.084 -5.647 1.00 1.36 O ATOM 518 CB THR A 66 2.543 13.988 -5.236 1.00 1.11 C ATOM 519 OG1 THR A 66 3.957 13.965 -5.290 1.00 1.39 O ATOM 520 CG2 THR A 66 2.134 15.431 -4.939 1.00 1.00 C ATOM 0 H THR A 66 3.135 13.942 -2.758 1.00 0.91 H new ATOM 0 HA THR A 66 0.905 12.911 -4.257 1.00 1.07 H new ATOM 0 HB THR A 66 2.106 13.678 -6.185 1.00 1.11 H new ATOM 0 HG1 THR A 66 4.270 14.621 -5.947 1.00 1.39 H new ATOM 0 HG21 THR A 66 2.555 16.092 -5.697 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.047 15.511 -4.951 1.00 1.00 H new ATOM 0 HG23 THR A 66 2.508 15.720 -3.957 1.00 1.00 H new ATOM 528 N HIS A 67 3.453 11.045 -3.755 1.00 0.83 N ATOM 529 CA HIS A 67 4.464 10.071 -4.174 1.00 0.85 C ATOM 530 C HIS A 67 4.669 8.985 -3.116 1.00 0.74 C ATOM 531 O HIS A 67 4.989 9.320 -1.975 1.00 0.62 O ATOM 532 CB HIS A 67 5.769 10.846 -4.410 1.00 0.87 C ATOM 533 CG HIS A 67 6.411 10.561 -5.724 1.00 1.31 C ATOM 534 ND1 HIS A 67 5.887 10.992 -6.897 1.00 1.62 N flip ATOM 535 CD2 HIS A 67 7.550 9.852 -6.008 1.00 1.58 C flip ATOM 536 CE1 HIS A 67 6.723 10.572 -7.943 1.00 1.97 C flip ATOM 537 NE2 HIS A 67 7.709 9.868 -7.344 1.00 1.96 N flip ATOM 0 H HIS A 67 3.496 11.268 -2.760 1.00 0.83 H new ATOM 0 HA HIS A 67 4.140 9.564 -5.083 1.00 0.85 H new ATOM 0 HB2 HIS A 67 5.563 11.914 -4.341 1.00 0.87 H new ATOM 0 HB3 HIS A 67 6.472 10.605 -3.613 1.00 0.87 H new ATOM 0 HD2 HIS A 67 8.199 9.370 -5.292 1.00 1.58 H new ATOM 0 HE1 HIS A 67 6.604 10.769 -8.998 1.00 1.97 H new ATOM 0 HE2 HIS A 67 8.473 9.409 -7.840 1.00 1.96 H new ATOM 545 N PHE A 68 4.517 7.701 -3.462 1.00 0.87 N ATOM 546 CA PHE A 68 4.478 6.646 -2.430 1.00 0.92 C ATOM 547 C PHE A 68 5.116 5.296 -2.820 1.00 0.98 C ATOM 548 O PHE A 68 4.850 4.743 -3.881 1.00 0.94 O ATOM 549 CB PHE A 68 2.999 6.458 -2.043 1.00 1.06 C ATOM 550 CG PHE A 68 2.636 5.983 -0.647 1.00 1.13 C ATOM 551 CD1 PHE A 68 3.488 6.127 0.472 1.00 1.90 C ATOM 552 CD2 PHE A 68 1.328 5.504 -0.462 1.00 2.06 C ATOM 553 CE1 PHE A 68 3.034 5.783 1.763 1.00 1.96 C ATOM 554 CE2 PHE A 68 0.875 5.149 0.817 1.00 2.37 C ATOM 555 CZ PHE A 68 1.733 5.284 1.919 1.00 1.70 C ATOM 0 H PHE A 68 4.421 7.368 -4.421 1.00 0.87 H new ATOM 0 HA PHE A 68 5.096 6.981 -1.597 1.00 0.92 H new ATOM 0 HB2 PHE A 68 2.498 7.413 -2.201 1.00 1.06 H new ATOM 0 HB3 PHE A 68 2.566 5.750 -2.750 1.00 1.06 H new ATOM 0 HD1 PHE A 68 4.492 6.502 0.338 1.00 1.90 H new ATOM 0 HD2 PHE A 68 0.667 5.409 -1.311 1.00 2.06 H new ATOM 0 HE1 PHE A 68 3.680 5.903 2.620 1.00 1.96 H new ATOM 0 HE2 PHE A 68 -0.129 4.774 0.953 1.00 2.37 H new ATOM 0 HZ PHE A 68 1.386 4.999 2.901 1.00 1.70 H new ATOM 565 N ARG A 69 5.873 4.693 -1.899 1.00 1.10 N ATOM 566 CA ARG A 69 6.211 3.257 -1.892 1.00 0.96 C ATOM 567 C ARG A 69 5.420 2.560 -0.809 1.00 0.72 C ATOM 568 O ARG A 69 5.363 3.055 0.315 1.00 0.68 O ATOM 569 CB ARG A 69 7.711 3.011 -1.654 1.00 1.06 C ATOM 570 CG ARG A 69 8.479 2.764 -2.954 1.00 1.34 C ATOM 571 CD ARG A 69 8.273 1.409 -3.662 1.00 1.94 C ATOM 572 NE ARG A 69 8.387 0.192 -2.830 1.00 3.32 N ATOM 573 CZ ARG A 69 9.379 -0.228 -2.063 1.00 4.41 C ATOM 574 NH1 ARG A 69 10.470 0.435 -1.825 1.00 4.73 N ATOM 575 NH2 ARG A 69 9.288 -1.396 -1.512 1.00 5.99 N ATOM 0 H ARG A 69 6.282 5.200 -1.114 1.00 1.10 H new ATOM 0 HA ARG A 69 5.959 2.858 -2.874 1.00 0.96 H new ATOM 0 HB2 ARG A 69 8.140 3.872 -1.141 1.00 1.06 H new ATOM 0 HB3 ARG A 69 7.835 2.152 -0.994 1.00 1.06 H new ATOM 0 HG2 ARG A 69 8.212 3.553 -3.656 1.00 1.34 H new ATOM 0 HG3 ARG A 69 9.542 2.873 -2.741 1.00 1.34 H new ATOM 0 HD2 ARG A 69 7.285 1.414 -4.121 1.00 1.94 H new ATOM 0 HD3 ARG A 69 9.000 1.336 -4.471 1.00 1.94 H new ATOM 0 HE ARG A 69 7.572 -0.420 -2.851 1.00 3.32 H new ATOM 0 HH11 ARG A 69 10.610 1.355 -2.244 1.00 4.73 H new ATOM 0 HH12 ARG A 69 11.187 0.036 -1.219 1.00 4.73 H new ATOM 0 HH21 ARG A 69 8.462 -1.973 -1.673 1.00 5.99 H new ATOM 0 HH22 ARG A 69 10.042 -1.739 -0.917 1.00 5.99 H new ATOM 589 N VAL A 70 4.882 1.387 -1.128 1.00 0.77 N ATOM 590 CA VAL A 70 4.206 0.517 -0.143 1.00 0.73 C ATOM 591 C VAL A 70 4.563 -0.951 -0.328 1.00 0.72 C ATOM 592 O VAL A 70 4.387 -1.510 -1.406 1.00 0.73 O ATOM 593 CB VAL A 70 2.663 0.649 -0.152 1.00 0.78 C ATOM 594 CG1 VAL A 70 2.063 0.099 1.155 1.00 0.85 C ATOM 595 CG2 VAL A 70 2.155 2.087 -0.318 1.00 0.84 C ATOM 0 H VAL A 70 4.897 1.004 -2.073 1.00 0.77 H new ATOM 0 HA VAL A 70 4.575 0.869 0.820 1.00 0.73 H new ATOM 0 HB VAL A 70 2.343 0.073 -1.020 1.00 0.78 H new ATOM 0 HG11 VAL A 70 0.978 0.201 1.129 1.00 0.85 H new ATOM 0 HG12 VAL A 70 2.326 -0.953 1.261 1.00 0.85 H new ATOM 0 HG13 VAL A 70 2.460 0.659 2.002 1.00 0.85 H new ATOM 0 HG21 VAL A 70 1.065 2.091 -0.314 1.00 0.84 H new ATOM 0 HG22 VAL A 70 2.523 2.700 0.505 1.00 0.84 H new ATOM 0 HG23 VAL A 70 2.516 2.493 -1.263 1.00 0.84 H new ATOM 605 N ALA A 71 4.941 -1.610 0.764 1.00 0.75 N ATOM 606 CA ALA A 71 4.934 -3.069 0.843 1.00 0.78 C ATOM 607 C ALA A 71 3.823 -3.514 1.798 1.00 0.73 C ATOM 608 O ALA A 71 3.738 -3.014 2.919 1.00 0.74 O ATOM 609 CB ALA A 71 6.320 -3.586 1.245 1.00 0.91 C ATOM 0 H ALA A 71 5.260 -1.150 1.617 1.00 0.75 H new ATOM 0 HA ALA A 71 4.719 -3.504 -0.133 1.00 0.78 H new ATOM 0 HB1 ALA A 71 6.300 -4.674 1.300 1.00 0.91 H new ATOM 0 HB2 ALA A 71 7.054 -3.273 0.503 1.00 0.91 H new ATOM 0 HB3 ALA A 71 6.592 -3.178 2.219 1.00 0.91 H new ATOM 615 N VAL A 72 2.965 -4.437 1.362 1.00 0.70 N ATOM 616 CA VAL A 72 1.846 -4.975 2.149 1.00 0.64 C ATOM 617 C VAL A 72 1.932 -6.499 2.212 1.00 0.59 C ATOM 618 O VAL A 72 2.181 -7.164 1.205 1.00 0.67 O ATOM 619 CB VAL A 72 0.467 -4.503 1.632 1.00 0.66 C ATOM 620 CG1 VAL A 72 0.352 -2.975 1.641 1.00 1.30 C ATOM 621 CG2 VAL A 72 0.114 -4.959 0.209 1.00 1.66 C ATOM 0 H VAL A 72 3.027 -4.844 0.429 1.00 0.70 H new ATOM 0 HA VAL A 72 1.936 -4.577 3.160 1.00 0.64 H new ATOM 0 HB VAL A 72 -0.229 -4.972 2.328 1.00 0.66 H new ATOM 0 HG11 VAL A 72 -0.631 -2.682 1.271 1.00 1.30 H new ATOM 0 HG12 VAL A 72 0.481 -2.606 2.659 1.00 1.30 H new ATOM 0 HG13 VAL A 72 1.123 -2.548 1.000 1.00 1.30 H new ATOM 0 HG21 VAL A 72 -0.871 -4.578 -0.061 1.00 1.66 H new ATOM 0 HG22 VAL A 72 0.856 -4.575 -0.491 1.00 1.66 H new ATOM 0 HG23 VAL A 72 0.105 -6.048 0.168 1.00 1.66 H new ATOM 631 N VAL A 73 1.714 -7.073 3.395 1.00 0.52 N ATOM 632 CA VAL A 73 1.802 -8.527 3.607 1.00 0.49 C ATOM 633 C VAL A 73 0.646 -8.989 4.467 1.00 0.48 C ATOM 634 O VAL A 73 0.413 -8.402 5.537 1.00 0.52 O ATOM 635 CB VAL A 73 3.188 -8.939 4.152 1.00 0.67 C ATOM 636 CG1 VAL A 73 3.256 -9.582 5.532 1.00 1.01 C ATOM 637 CG2 VAL A 73 3.943 -9.813 3.186 1.00 1.57 C ATOM 0 H VAL A 73 1.471 -6.548 4.235 1.00 0.52 H new ATOM 0 HA VAL A 73 1.712 -9.039 2.649 1.00 0.49 H new ATOM 0 HB VAL A 73 3.654 -7.961 4.270 1.00 0.67 H new ATOM 0 HG11 VAL A 73 4.293 -9.814 5.774 1.00 1.01 H new ATOM 0 HG12 VAL A 73 2.855 -8.892 6.275 1.00 1.01 H new ATOM 0 HG13 VAL A 73 2.668 -10.500 5.535 1.00 1.01 H new ATOM 0 HG21 VAL A 73 4.910 -10.076 3.613 1.00 1.57 H new ATOM 0 HG22 VAL A 73 3.372 -10.721 2.994 1.00 1.57 H new ATOM 0 HG23 VAL A 73 4.094 -9.275 2.250 1.00 1.57 H new ATOM 647 N SER A 74 -0.084 -9.994 3.960 1.00 0.50 N ATOM 648 CA SER A 74 -1.319 -10.494 4.606 1.00 0.53 C ATOM 649 C SER A 74 -1.694 -11.914 4.166 1.00 0.57 C ATOM 650 O SER A 74 -1.503 -12.285 3.006 1.00 0.60 O ATOM 651 CB SER A 74 -2.508 -9.554 4.325 1.00 0.56 C ATOM 652 OG SER A 74 -3.703 -10.069 4.891 1.00 0.67 O ATOM 0 H SER A 74 0.158 -10.483 3.098 1.00 0.50 H new ATOM 0 HA SER A 74 -1.104 -10.519 5.674 1.00 0.53 H new ATOM 0 HB2 SER A 74 -2.302 -8.566 4.737 1.00 0.56 H new ATOM 0 HB3 SER A 74 -2.634 -9.431 3.249 1.00 0.56 H new ATOM 0 HG SER A 74 -4.445 -9.457 4.703 1.00 0.67 H new ATOM 658 N SER A 75 -2.287 -12.698 5.075 1.00 0.66 N ATOM 659 CA SER A 75 -2.784 -14.065 4.818 1.00 0.82 C ATOM 660 C SER A 75 -3.971 -14.149 3.845 1.00 0.92 C ATOM 661 O SER A 75 -4.409 -15.246 3.490 1.00 1.25 O ATOM 662 CB SER A 75 -3.144 -14.749 6.138 1.00 0.98 C ATOM 663 OG SER A 75 -4.084 -13.987 6.887 1.00 1.62 O ATOM 0 H SER A 75 -2.441 -12.395 6.037 1.00 0.66 H new ATOM 0 HA SER A 75 -1.963 -14.584 4.324 1.00 0.82 H new ATOM 0 HB2 SER A 75 -3.556 -15.737 5.935 1.00 0.98 H new ATOM 0 HB3 SER A 75 -2.241 -14.896 6.730 1.00 0.98 H new ATOM 0 HG SER A 75 -4.292 -14.454 7.723 1.00 1.62 H new ATOM 669 N ARG A 76 -4.477 -13.002 3.378 1.00 0.79 N ATOM 670 CA ARG A 76 -5.542 -12.896 2.367 1.00 0.89 C ATOM 671 C ARG A 76 -5.062 -12.860 0.913 1.00 0.84 C ATOM 672 O ARG A 76 -5.856 -13.096 0.002 1.00 0.98 O ATOM 673 CB ARG A 76 -6.372 -11.647 2.670 1.00 0.95 C ATOM 674 CG ARG A 76 -7.167 -11.793 3.980 1.00 1.98 C ATOM 675 CD ARG A 76 -8.405 -10.891 3.992 1.00 1.59 C ATOM 676 NE ARG A 76 -8.938 -10.706 5.352 1.00 2.79 N ATOM 677 CZ ARG A 76 -10.014 -10.029 5.704 1.00 3.05 C ATOM 678 NH1 ARG A 76 -10.840 -9.489 4.858 1.00 3.05 N ATOM 679 NH2 ARG A 76 -10.253 -9.852 6.965 1.00 4.47 N ATOM 0 H ARG A 76 -4.148 -12.092 3.702 1.00 0.79 H new ATOM 0 HA ARG A 76 -6.130 -13.810 2.444 1.00 0.89 H new ATOM 0 HB2 ARG A 76 -5.714 -10.781 2.739 1.00 0.95 H new ATOM 0 HB3 ARG A 76 -7.060 -11.459 1.846 1.00 0.95 H new ATOM 0 HG2 ARG A 76 -7.472 -12.832 4.107 1.00 1.98 H new ATOM 0 HG3 ARG A 76 -6.526 -11.543 4.825 1.00 1.98 H new ATOM 0 HD2 ARG A 76 -8.151 -9.920 3.567 1.00 1.59 H new ATOM 0 HD3 ARG A 76 -9.176 -11.325 3.356 1.00 1.59 H new ATOM 0 HE ARG A 76 -8.416 -11.151 6.107 1.00 2.79 H new ATOM 0 HH11 ARG A 76 -10.673 -9.577 3.856 1.00 3.05 H new ATOM 0 HH12 ARG A 76 -11.655 -8.978 5.197 1.00 3.05 H new ATOM 0 HH21 ARG A 76 -9.615 -10.233 7.663 1.00 4.47 H new ATOM 0 HH22 ARG A 76 -11.079 -9.332 7.259 1.00 4.47 H new ATOM 693 N PHE A 77 -3.786 -12.553 0.691 1.00 0.70 N ATOM 694 CA PHE A 77 -3.147 -12.400 -0.618 1.00 0.69 C ATOM 695 C PHE A 77 -2.516 -13.700 -1.142 1.00 0.72 C ATOM 696 O PHE A 77 -1.984 -13.724 -2.256 1.00 0.83 O ATOM 697 CB PHE A 77 -2.055 -11.335 -0.500 1.00 0.63 C ATOM 698 CG PHE A 77 -2.441 -9.954 0.008 1.00 0.68 C ATOM 699 CD1 PHE A 77 -1.496 -9.211 0.740 1.00 1.60 C ATOM 700 CD2 PHE A 77 -3.691 -9.376 -0.294 1.00 1.51 C ATOM 701 CE1 PHE A 77 -1.797 -7.913 1.187 1.00 1.71 C ATOM 702 CE2 PHE A 77 -3.992 -8.077 0.151 1.00 1.58 C ATOM 703 CZ PHE A 77 -3.048 -7.345 0.893 1.00 1.01 C ATOM 0 H PHE A 77 -3.134 -12.395 1.459 1.00 0.70 H new ATOM 0 HA PHE A 77 -3.923 -12.114 -1.328 1.00 0.69 H new ATOM 0 HB2 PHE A 77 -1.280 -11.726 0.159 1.00 0.63 H new ATOM 0 HB3 PHE A 77 -1.604 -11.212 -1.485 1.00 0.63 H new ATOM 0 HD1 PHE A 77 -0.531 -9.642 0.960 1.00 1.60 H new ATOM 0 HD2 PHE A 77 -4.418 -9.932 -0.868 1.00 1.51 H new ATOM 0 HE1 PHE A 77 -1.069 -7.354 1.755 1.00 1.71 H new ATOM 0 HE2 PHE A 77 -4.952 -7.639 -0.078 1.00 1.58 H new ATOM 0 HZ PHE A 77 -3.284 -6.349 1.236 1.00 1.01 H new ATOM 713 N GLU A 78 -2.528 -14.767 -0.337 1.00 0.92 N ATOM 714 CA GLU A 78 -2.078 -16.094 -0.729 1.00 1.02 C ATOM 715 C GLU A 78 -3.167 -16.913 -1.452 1.00 1.16 C ATOM 716 O GLU A 78 -4.303 -17.002 -0.979 1.00 1.68 O ATOM 717 CB GLU A 78 -1.453 -16.836 0.473 1.00 1.51 C ATOM 718 CG GLU A 78 -2.243 -16.735 1.789 1.00 2.07 C ATOM 719 CD GLU A 78 -1.642 -17.587 2.918 1.00 2.53 C ATOM 720 OE1 GLU A 78 -1.104 -17.031 3.905 1.00 3.97 O ATOM 721 OE2 GLU A 78 -1.723 -18.838 2.850 1.00 2.09 O ATOM 0 H GLU A 78 -2.860 -14.724 0.627 1.00 0.92 H new ATOM 0 HA GLU A 78 -1.292 -15.966 -1.474 1.00 1.02 H new ATOM 0 HB2 GLU A 78 -1.345 -17.889 0.213 1.00 1.51 H new ATOM 0 HB3 GLU A 78 -0.450 -16.444 0.639 1.00 1.51 H new ATOM 0 HG2 GLU A 78 -2.277 -15.693 2.107 1.00 2.07 H new ATOM 0 HG3 GLU A 78 -3.272 -17.048 1.613 1.00 2.07 H new ATOM 728 N GLY A 79 -2.830 -17.537 -2.586 1.00 1.08 N ATOM 729 CA GLY A 79 -3.763 -18.270 -3.467 1.00 1.35 C ATOM 730 C GLY A 79 -4.135 -17.515 -4.753 1.00 1.33 C ATOM 731 O GLY A 79 -5.021 -17.940 -5.499 1.00 1.93 O ATOM 0 H GLY A 79 -1.871 -17.550 -2.932 1.00 1.08 H new ATOM 0 HA2 GLY A 79 -3.316 -19.227 -3.737 1.00 1.35 H new ATOM 0 HA3 GLY A 79 -4.674 -18.490 -2.911 1.00 1.35 H new ATOM 735 N LEU A 80 -3.469 -16.388 -5.010 1.00 0.96 N ATOM 736 CA LEU A 80 -3.701 -15.444 -6.104 1.00 1.11 C ATOM 737 C LEU A 80 -2.443 -15.317 -6.982 1.00 0.96 C ATOM 738 O LEU A 80 -1.325 -15.422 -6.473 1.00 0.95 O ATOM 739 CB LEU A 80 -4.047 -14.065 -5.515 1.00 1.35 C ATOM 740 CG LEU A 80 -5.331 -13.952 -4.704 1.00 1.26 C ATOM 741 CD1 LEU A 80 -5.242 -14.366 -3.234 1.00 2.33 C ATOM 742 CD2 LEU A 80 -5.791 -12.499 -4.690 1.00 1.60 C ATOM 0 H LEU A 80 -2.696 -16.089 -4.415 1.00 0.96 H new ATOM 0 HA LEU A 80 -4.524 -15.810 -6.718 1.00 1.11 H new ATOM 0 HB2 LEU A 80 -3.218 -13.753 -4.879 1.00 1.35 H new ATOM 0 HB3 LEU A 80 -4.104 -13.352 -6.338 1.00 1.35 H new ATOM 0 HG LEU A 80 -6.012 -14.643 -5.201 1.00 1.26 H new ATOM 0 HD11 LEU A 80 -6.216 -14.242 -2.761 1.00 2.33 H new ATOM 0 HD12 LEU A 80 -4.937 -15.410 -3.168 1.00 2.33 H new ATOM 0 HD13 LEU A 80 -4.509 -13.741 -2.724 1.00 2.33 H new ATOM 0 HD21 LEU A 80 -6.710 -12.414 -4.110 1.00 1.60 H new ATOM 0 HD22 LEU A 80 -5.018 -11.877 -4.238 1.00 1.60 H new ATOM 0 HD23 LEU A 80 -5.974 -12.165 -5.711 1.00 1.60 H new ATOM 754 N SER A 81 -2.613 -15.007 -8.269 1.00 1.10 N ATOM 755 CA SER A 81 -1.510 -14.556 -9.133 1.00 1.21 C ATOM 756 C SER A 81 -0.956 -13.190 -8.668 1.00 1.10 C ATOM 757 O SER A 81 -1.711 -12.377 -8.112 1.00 0.96 O ATOM 758 CB SER A 81 -1.936 -14.539 -10.616 1.00 1.45 C ATOM 759 OG SER A 81 -1.527 -13.359 -11.293 1.00 2.13 O ATOM 0 H SER A 81 -3.514 -15.060 -8.744 1.00 1.10 H new ATOM 0 HA SER A 81 -0.695 -15.275 -9.044 1.00 1.21 H new ATOM 0 HB2 SER A 81 -1.513 -15.407 -11.121 1.00 1.45 H new ATOM 0 HB3 SER A 81 -3.020 -14.631 -10.679 1.00 1.45 H new ATOM 0 HG SER A 81 -1.820 -13.400 -12.227 1.00 2.13 H new ATOM 765 N PRO A 82 0.333 -12.888 -8.924 1.00 1.31 N ATOM 766 CA PRO A 82 0.909 -11.563 -8.696 1.00 1.36 C ATOM 767 C PRO A 82 0.155 -10.445 -9.429 1.00 1.31 C ATOM 768 O PRO A 82 -0.322 -9.503 -8.795 1.00 1.22 O ATOM 769 CB PRO A 82 2.364 -11.663 -9.161 1.00 1.76 C ATOM 770 CG PRO A 82 2.688 -13.147 -9.040 1.00 1.77 C ATOM 771 CD PRO A 82 1.361 -13.808 -9.393 1.00 1.62 C ATOM 0 HA PRO A 82 0.835 -11.290 -7.643 1.00 1.36 H new ATOM 0 HB2 PRO A 82 2.481 -11.311 -10.186 1.00 1.76 H new ATOM 0 HB3 PRO A 82 3.024 -11.058 -8.539 1.00 1.76 H new ATOM 0 HG2 PRO A 82 3.483 -13.445 -9.723 1.00 1.77 H new ATOM 0 HG3 PRO A 82 3.016 -13.409 -8.034 1.00 1.77 H new ATOM 0 HD2 PRO A 82 1.279 -13.975 -10.467 1.00 1.62 H new ATOM 0 HD3 PRO A 82 1.267 -14.781 -8.911 1.00 1.62 H new ATOM 779 N LEU A 83 -0.034 -10.580 -10.746 1.00 1.41 N ATOM 780 CA LEU A 83 -0.783 -9.621 -11.562 1.00 1.44 C ATOM 781 C LEU A 83 -2.259 -9.559 -11.144 1.00 1.28 C ATOM 782 O LEU A 83 -2.801 -8.460 -11.024 1.00 1.22 O ATOM 783 CB LEU A 83 -0.561 -9.988 -13.041 1.00 1.67 C ATOM 784 CG LEU A 83 -1.265 -9.097 -14.083 1.00 2.72 C ATOM 785 CD1 LEU A 83 -0.512 -9.175 -15.413 1.00 3.35 C ATOM 786 CD2 LEU A 83 -2.705 -9.547 -14.356 1.00 4.23 C ATOM 0 H LEU A 83 0.333 -11.367 -11.280 1.00 1.41 H new ATOM 0 HA LEU A 83 -0.419 -8.606 -11.406 1.00 1.44 H new ATOM 0 HB2 LEU A 83 0.510 -9.966 -13.241 1.00 1.67 H new ATOM 0 HB3 LEU A 83 -0.892 -11.016 -13.191 1.00 1.67 H new ATOM 0 HG LEU A 83 -1.276 -8.086 -13.676 1.00 2.72 H new ATOM 0 HD11 LEU A 83 -1.010 -8.545 -16.150 1.00 3.35 H new ATOM 0 HD12 LEU A 83 0.512 -8.829 -15.272 1.00 3.35 H new ATOM 0 HD13 LEU A 83 -0.501 -10.206 -15.765 1.00 3.35 H new ATOM 0 HD21 LEU A 83 -3.158 -8.888 -15.097 1.00 4.23 H new ATOM 0 HD22 LEU A 83 -2.701 -10.569 -14.734 1.00 4.23 H new ATOM 0 HD23 LEU A 83 -3.281 -9.504 -13.432 1.00 4.23 H new ATOM 798 N GLN A 84 -2.888 -10.705 -10.845 1.00 1.26 N ATOM 799 CA GLN A 84 -4.265 -10.782 -10.336 1.00 1.17 C ATOM 800 C GLN A 84 -4.443 -9.877 -9.109 1.00 1.09 C ATOM 801 O GLN A 84 -5.319 -9.006 -9.114 1.00 1.14 O ATOM 802 CB GLN A 84 -4.607 -12.253 -10.013 1.00 1.17 C ATOM 803 CG GLN A 84 -5.961 -12.509 -9.319 1.00 1.22 C ATOM 804 CD GLN A 84 -6.091 -13.941 -8.783 1.00 1.58 C ATOM 805 OE1 GLN A 84 -5.357 -14.851 -9.147 1.00 2.03 O ATOM 806 NE2 GLN A 84 -6.984 -14.202 -7.855 1.00 1.95 N ATOM 0 H GLN A 84 -2.447 -11.619 -10.952 1.00 1.26 H new ATOM 0 HA GLN A 84 -4.956 -10.424 -11.099 1.00 1.17 H new ATOM 0 HB2 GLN A 84 -4.588 -12.820 -10.944 1.00 1.17 H new ATOM 0 HB3 GLN A 84 -3.817 -12.655 -9.379 1.00 1.17 H new ATOM 0 HG2 GLN A 84 -6.081 -11.805 -8.496 1.00 1.22 H new ATOM 0 HG3 GLN A 84 -6.769 -12.315 -10.025 1.00 1.22 H new ATOM 0 HE21 GLN A 84 -7.611 -13.466 -7.529 1.00 1.95 H new ATOM 0 HE22 GLN A 84 -7.050 -15.140 -7.460 1.00 1.95 H new ATOM 815 N ARG A 85 -3.610 -10.052 -8.071 1.00 1.03 N ATOM 816 CA ARG A 85 -3.759 -9.346 -6.786 1.00 1.02 C ATOM 817 C ARG A 85 -3.302 -7.888 -6.828 1.00 0.88 C ATOM 818 O ARG A 85 -3.935 -7.045 -6.204 1.00 0.89 O ATOM 819 CB ARG A 85 -3.095 -10.155 -5.662 1.00 1.17 C ATOM 820 CG ARG A 85 -1.559 -10.131 -5.660 1.00 1.29 C ATOM 821 CD ARG A 85 -1.046 -11.273 -4.771 1.00 2.33 C ATOM 822 NE ARG A 85 0.420 -11.353 -4.744 1.00 3.36 N ATOM 823 CZ ARG A 85 1.162 -12.328 -4.252 1.00 4.66 C ATOM 824 NH1 ARG A 85 0.679 -13.356 -3.610 1.00 5.21 N ATOM 825 NH2 ARG A 85 2.445 -12.251 -4.412 1.00 5.94 N ATOM 0 H ARG A 85 -2.813 -10.688 -8.098 1.00 1.03 H new ATOM 0 HA ARG A 85 -4.826 -9.279 -6.571 1.00 1.02 H new ATOM 0 HB2 ARG A 85 -3.450 -9.775 -4.704 1.00 1.17 H new ATOM 0 HB3 ARG A 85 -3.426 -11.191 -5.737 1.00 1.17 H new ATOM 0 HG2 ARG A 85 -1.179 -10.243 -6.675 1.00 1.29 H new ATOM 0 HG3 ARG A 85 -1.197 -9.172 -5.289 1.00 1.29 H new ATOM 0 HD2 ARG A 85 -1.417 -11.133 -3.756 1.00 2.33 H new ATOM 0 HD3 ARG A 85 -1.451 -12.219 -5.131 1.00 2.33 H new ATOM 0 HE ARG A 85 0.923 -10.565 -5.152 1.00 3.36 H new ATOM 0 HH11 ARG A 85 -0.327 -13.439 -3.464 1.00 5.21 H new ATOM 0 HH12 ARG A 85 1.307 -14.076 -3.254 1.00 5.21 H new ATOM 0 HH21 ARG A 85 2.851 -11.455 -4.905 1.00 5.94 H new ATOM 0 HH22 ARG A 85 3.050 -12.986 -4.045 1.00 5.94 H new ATOM 839 N HIS A 86 -2.265 -7.565 -7.597 1.00 0.84 N ATOM 840 CA HIS A 86 -1.852 -6.181 -7.839 1.00 0.76 C ATOM 841 C HIS A 86 -2.951 -5.403 -8.596 1.00 0.83 C ATOM 842 O HIS A 86 -3.405 -4.367 -8.107 1.00 0.87 O ATOM 843 CB HIS A 86 -0.494 -6.207 -8.559 1.00 0.80 C ATOM 844 CG HIS A 86 0.710 -6.276 -7.646 1.00 0.83 C ATOM 845 ND1 HIS A 86 1.868 -5.538 -7.762 1.00 0.89 N ATOM 846 CD2 HIS A 86 0.905 -7.141 -6.602 1.00 1.05 C ATOM 847 CE1 HIS A 86 2.728 -5.945 -6.818 1.00 1.03 C ATOM 848 NE2 HIS A 86 2.183 -6.920 -6.067 1.00 1.12 N ATOM 0 H HIS A 86 -1.684 -8.256 -8.072 1.00 0.84 H new ATOM 0 HA HIS A 86 -1.722 -5.640 -6.902 1.00 0.76 H new ATOM 0 HB2 HIS A 86 -0.472 -7.065 -9.231 1.00 0.80 H new ATOM 0 HB3 HIS A 86 -0.411 -5.314 -9.179 1.00 0.80 H new ATOM 0 HD1 HIS A 86 2.041 -4.805 -8.450 1.00 0.89 H new ATOM 0 HD2 HIS A 86 0.193 -7.872 -6.249 1.00 1.05 H new ATOM 0 HE1 HIS A 86 3.722 -5.546 -6.679 1.00 1.03 H new ATOM 856 N ARG A 87 -3.495 -5.937 -9.705 1.00 0.94 N ATOM 857 CA ARG A 87 -4.625 -5.301 -10.422 1.00 1.10 C ATOM 858 C ARG A 87 -5.894 -5.202 -9.557 1.00 1.14 C ATOM 859 O ARG A 87 -6.587 -4.181 -9.636 1.00 1.22 O ATOM 860 CB ARG A 87 -4.887 -5.988 -11.779 1.00 1.34 C ATOM 861 CG ARG A 87 -3.746 -5.726 -12.785 1.00 2.27 C ATOM 862 CD ARG A 87 -4.084 -6.203 -14.207 1.00 2.27 C ATOM 863 NE ARG A 87 -2.937 -6.011 -15.119 1.00 3.66 N ATOM 864 CZ ARG A 87 -2.891 -6.153 -16.433 1.00 4.50 C ATOM 865 NH1 ARG A 87 -3.882 -6.595 -17.149 1.00 4.45 N ATOM 866 NH2 ARG A 87 -1.793 -5.840 -17.045 1.00 6.04 N ATOM 0 H ARG A 87 -3.173 -6.808 -10.127 1.00 0.94 H new ATOM 0 HA ARG A 87 -4.331 -4.273 -10.634 1.00 1.10 H new ATOM 0 HB2 ARG A 87 -4.998 -7.062 -11.627 1.00 1.34 H new ATOM 0 HB3 ARG A 87 -5.828 -5.626 -12.194 1.00 1.34 H new ATOM 0 HG2 ARG A 87 -3.526 -4.659 -12.808 1.00 2.27 H new ATOM 0 HG3 ARG A 87 -2.843 -6.231 -12.442 1.00 2.27 H new ATOM 0 HD2 ARG A 87 -4.362 -7.257 -14.184 1.00 2.27 H new ATOM 0 HD3 ARG A 87 -4.947 -5.654 -14.583 1.00 2.27 H new ATOM 0 HE ARG A 87 -2.062 -5.731 -14.675 1.00 3.66 H new ATOM 0 HH11 ARG A 87 -4.760 -6.856 -16.699 1.00 4.45 H new ATOM 0 HH12 ARG A 87 -3.782 -6.681 -18.160 1.00 4.45 H new ATOM 0 HH21 ARG A 87 -0.994 -5.495 -16.514 1.00 6.04 H new ATOM 0 HH22 ARG A 87 -1.728 -5.939 -18.058 1.00 6.04 H new ATOM 880 N LEU A 88 -6.138 -6.181 -8.673 1.00 1.14 N ATOM 881 CA LEU A 88 -7.182 -6.125 -7.635 1.00 1.23 C ATOM 882 C LEU A 88 -6.984 -4.914 -6.708 1.00 1.17 C ATOM 883 O LEU A 88 -7.874 -4.077 -6.619 1.00 1.29 O ATOM 884 CB LEU A 88 -7.208 -7.459 -6.857 1.00 1.28 C ATOM 885 CG LEU A 88 -8.522 -7.827 -6.142 1.00 1.78 C ATOM 886 CD1 LEU A 88 -8.458 -9.295 -5.710 1.00 2.11 C ATOM 887 CD2 LEU A 88 -8.772 -6.995 -4.885 1.00 2.71 C ATOM 0 H LEU A 88 -5.606 -7.051 -8.658 1.00 1.14 H new ATOM 0 HA LEU A 88 -8.153 -5.990 -8.111 1.00 1.23 H new ATOM 0 HB2 LEU A 88 -6.965 -8.262 -7.553 1.00 1.28 H new ATOM 0 HB3 LEU A 88 -6.413 -7.432 -6.112 1.00 1.28 H new ATOM 0 HG LEU A 88 -9.329 -7.634 -6.849 1.00 1.78 H new ATOM 0 HD11 LEU A 88 -9.384 -9.566 -5.203 1.00 2.11 H new ATOM 0 HD12 LEU A 88 -8.327 -9.927 -6.588 1.00 2.11 H new ATOM 0 HD13 LEU A 88 -7.617 -9.438 -5.031 1.00 2.11 H new ATOM 0 HD21 LEU A 88 -9.712 -7.301 -4.427 1.00 2.71 H new ATOM 0 HD22 LEU A 88 -7.957 -7.150 -4.178 1.00 2.71 H new ATOM 0 HD23 LEU A 88 -8.825 -5.940 -5.152 1.00 2.71 H new ATOM 899 N VAL A 89 -5.815 -4.754 -6.079 1.00 1.05 N ATOM 900 CA VAL A 89 -5.490 -3.567 -5.241 1.00 1.08 C ATOM 901 C VAL A 89 -5.673 -2.254 -6.016 1.00 1.07 C ATOM 902 O VAL A 89 -6.193 -1.272 -5.495 1.00 1.15 O ATOM 903 CB VAL A 89 -4.041 -3.645 -4.706 1.00 1.10 C ATOM 904 CG1 VAL A 89 -3.569 -2.364 -3.997 1.00 1.29 C ATOM 905 CG2 VAL A 89 -3.884 -4.774 -3.685 1.00 1.23 C ATOM 0 H VAL A 89 -5.059 -5.437 -6.129 1.00 1.05 H new ATOM 0 HA VAL A 89 -6.186 -3.576 -4.403 1.00 1.08 H new ATOM 0 HB VAL A 89 -3.439 -3.811 -5.599 1.00 1.10 H new ATOM 0 HG11 VAL A 89 -2.544 -2.497 -3.650 1.00 1.29 H new ATOM 0 HG12 VAL A 89 -3.611 -1.526 -4.693 1.00 1.29 H new ATOM 0 HG13 VAL A 89 -4.217 -2.160 -3.144 1.00 1.29 H new ATOM 0 HG21 VAL A 89 -2.854 -4.802 -3.329 1.00 1.23 H new ATOM 0 HG22 VAL A 89 -4.555 -4.600 -2.844 1.00 1.23 H new ATOM 0 HG23 VAL A 89 -4.131 -5.726 -4.155 1.00 1.23 H new ATOM 915 N HIS A 90 -5.271 -2.236 -7.278 1.00 1.03 N ATOM 916 CA HIS A 90 -5.241 -1.041 -8.119 1.00 1.10 C ATOM 917 C HIS A 90 -6.645 -0.560 -8.499 1.00 1.29 C ATOM 918 O HIS A 90 -6.870 0.653 -8.522 1.00 1.47 O ATOM 919 CB HIS A 90 -4.404 -1.293 -9.389 1.00 1.09 C ATOM 920 CG HIS A 90 -2.912 -1.471 -9.210 1.00 1.05 C ATOM 921 ND1 HIS A 90 -2.002 -1.625 -10.236 1.00 1.17 N ATOM 922 CD2 HIS A 90 -2.196 -1.519 -8.038 1.00 1.02 C ATOM 923 CE1 HIS A 90 -0.779 -1.746 -9.700 1.00 1.16 C ATOM 924 NE2 HIS A 90 -0.842 -1.657 -8.363 1.00 1.08 N ATOM 0 H HIS A 90 -4.947 -3.073 -7.762 1.00 1.03 H new ATOM 0 HA HIS A 90 -4.774 -0.251 -7.531 1.00 1.10 H new ATOM 0 HB2 HIS A 90 -4.794 -2.185 -9.879 1.00 1.09 H new ATOM 0 HB3 HIS A 90 -4.565 -0.458 -10.071 1.00 1.09 H new ATOM 0 HD1 HIS A 90 -2.222 -1.644 -11.232 1.00 1.17 H new ATOM 0 HD2 HIS A 90 -2.606 -1.460 -7.041 1.00 1.02 H new ATOM 0 HE1 HIS A 90 0.129 -1.894 -10.265 1.00 1.16 H new ATOM 932 N ALA A 91 -7.579 -1.471 -8.801 1.00 1.34 N ATOM 933 CA ALA A 91 -8.981 -1.128 -9.067 1.00 1.57 C ATOM 934 C ALA A 91 -9.880 -1.084 -7.820 1.00 1.60 C ATOM 935 O ALA A 91 -10.761 -0.228 -7.721 1.00 1.75 O ATOM 936 CB ALA A 91 -9.518 -2.094 -10.128 1.00 1.75 C ATOM 0 H ALA A 91 -7.382 -2.470 -8.868 1.00 1.34 H new ATOM 0 HA ALA A 91 -9.006 -0.102 -9.435 1.00 1.57 H new ATOM 0 HB1 ALA A 91 -10.560 -1.857 -10.342 1.00 1.75 H new ATOM 0 HB2 ALA A 91 -8.929 -1.996 -11.040 1.00 1.75 H new ATOM 0 HB3 ALA A 91 -9.447 -3.117 -9.758 1.00 1.75 H new ATOM 942 N ALA A 92 -9.685 -1.985 -6.859 1.00 1.50 N ATOM 943 CA ALA A 92 -10.547 -2.100 -5.687 1.00 1.54 C ATOM 944 C ALA A 92 -10.103 -1.207 -4.523 1.00 1.59 C ATOM 945 O ALA A 92 -10.975 -0.749 -3.773 1.00 1.82 O ATOM 946 CB ALA A 92 -10.629 -3.567 -5.258 1.00 1.44 C ATOM 0 H ALA A 92 -8.920 -2.659 -6.873 1.00 1.50 H new ATOM 0 HA ALA A 92 -11.538 -1.744 -5.970 1.00 1.54 H new ATOM 0 HB1 ALA A 92 -11.273 -3.655 -4.383 1.00 1.44 H new ATOM 0 HB2 ALA A 92 -11.042 -4.162 -6.073 1.00 1.44 H new ATOM 0 HB3 ALA A 92 -9.631 -3.931 -5.013 1.00 1.44 H new ATOM 952 N LEU A 93 -8.797 -0.930 -4.352 1.00 1.41 N ATOM 953 CA LEU A 93 -8.338 -0.168 -3.172 1.00 1.41 C ATOM 954 C LEU A 93 -8.005 1.303 -3.427 1.00 1.38 C ATOM 955 O LEU A 93 -7.632 1.976 -2.471 1.00 1.39 O ATOM 956 CB LEU A 93 -7.212 -0.921 -2.420 1.00 1.42 C ATOM 957 CG LEU A 93 -7.635 -1.750 -1.187 1.00 1.83 C ATOM 958 CD1 LEU A 93 -9.014 -2.405 -1.286 1.00 1.38 C ATOM 959 CD2 LEU A 93 -6.606 -2.856 -0.945 1.00 3.22 C ATOM 0 H LEU A 93 -8.058 -1.212 -4.995 1.00 1.41 H new ATOM 0 HA LEU A 93 -9.206 -0.113 -2.515 1.00 1.41 H new ATOM 0 HB2 LEU A 93 -6.719 -1.589 -3.126 1.00 1.42 H new ATOM 0 HB3 LEU A 93 -6.469 -0.190 -2.100 1.00 1.42 H new ATOM 0 HG LEU A 93 -7.687 -1.034 -0.366 1.00 1.83 H new ATOM 0 HD11 LEU A 93 -9.218 -2.963 -0.372 1.00 1.38 H new ATOM 0 HD12 LEU A 93 -9.774 -1.635 -1.418 1.00 1.38 H new ATOM 0 HD13 LEU A 93 -9.034 -3.084 -2.138 1.00 1.38 H new ATOM 0 HD21 LEU A 93 -6.901 -3.443 -0.075 1.00 3.22 H new ATOM 0 HD22 LEU A 93 -6.555 -3.504 -1.820 1.00 3.22 H new ATOM 0 HD23 LEU A 93 -5.628 -2.410 -0.767 1.00 3.22 H new ATOM 971 N ALA A 94 -8.163 1.845 -4.639 1.00 1.53 N ATOM 972 CA ALA A 94 -7.670 3.194 -4.931 1.00 1.71 C ATOM 973 C ALA A 94 -8.177 4.313 -3.995 1.00 1.76 C ATOM 974 O ALA A 94 -7.360 5.133 -3.571 1.00 1.92 O ATOM 975 CB ALA A 94 -7.933 3.518 -6.405 1.00 2.00 C ATOM 0 H ALA A 94 -8.621 1.379 -5.422 1.00 1.53 H new ATOM 0 HA ALA A 94 -6.599 3.174 -4.730 1.00 1.71 H new ATOM 0 HB1 ALA A 94 -7.568 4.521 -6.628 1.00 2.00 H new ATOM 0 HB2 ALA A 94 -7.414 2.795 -7.035 1.00 2.00 H new ATOM 0 HB3 ALA A 94 -9.004 3.469 -6.603 1.00 2.00 H new ATOM 981 N GLU A 95 -9.456 4.337 -3.598 1.00 1.76 N ATOM 982 CA GLU A 95 -9.963 5.351 -2.648 1.00 1.99 C ATOM 983 C GLU A 95 -9.440 5.163 -1.216 1.00 1.97 C ATOM 984 O GLU A 95 -9.349 6.124 -0.446 1.00 2.20 O ATOM 985 CB GLU A 95 -11.496 5.315 -2.564 1.00 2.35 C ATOM 986 CG GLU A 95 -12.207 5.815 -3.819 1.00 2.37 C ATOM 987 CD GLU A 95 -13.696 6.017 -3.519 1.00 3.32 C ATOM 988 OE1 GLU A 95 -14.519 5.106 -3.800 1.00 4.04 O ATOM 989 OE2 GLU A 95 -14.062 7.095 -2.989 1.00 4.10 O ATOM 0 H GLU A 95 -10.161 3.671 -3.915 1.00 1.76 H new ATOM 0 HA GLU A 95 -9.603 6.301 -3.042 1.00 1.99 H new ATOM 0 HB2 GLU A 95 -11.813 4.291 -2.365 1.00 2.35 H new ATOM 0 HB3 GLU A 95 -11.816 5.919 -1.715 1.00 2.35 H new ATOM 0 HG2 GLU A 95 -11.762 6.753 -4.152 1.00 2.37 H new ATOM 0 HG3 GLU A 95 -12.083 5.097 -4.630 1.00 2.37 H new ATOM 996 N GLU A 96 -9.164 3.920 -0.823 1.00 1.79 N ATOM 997 CA GLU A 96 -8.750 3.561 0.527 1.00 1.83 C ATOM 998 C GLU A 96 -7.232 3.508 0.761 1.00 1.81 C ATOM 999 O GLU A 96 -6.768 3.824 1.858 1.00 2.13 O ATOM 1000 CB GLU A 96 -9.613 2.435 1.055 1.00 2.07 C ATOM 1001 CG GLU A 96 -9.734 1.255 0.117 1.00 2.09 C ATOM 1002 CD GLU A 96 -10.742 0.239 0.668 1.00 1.88 C ATOM 1003 OE1 GLU A 96 -10.438 -0.489 1.638 1.00 2.80 O ATOM 1004 OE2 GLU A 96 -11.896 0.194 0.169 1.00 1.89 O ATOM 0 H GLU A 96 -9.224 3.119 -1.451 1.00 1.79 H new ATOM 0 HA GLU A 96 -8.960 4.396 1.195 1.00 1.83 H new ATOM 0 HB2 GLU A 96 -9.201 2.090 2.003 1.00 2.07 H new ATOM 0 HB3 GLU A 96 -10.610 2.823 1.263 1.00 2.07 H new ATOM 0 HG2 GLU A 96 -10.052 1.596 -0.868 1.00 2.09 H new ATOM 0 HG3 GLU A 96 -8.761 0.780 -0.009 1.00 2.09 H new ATOM 1011 N LEU A 97 -6.447 3.296 -0.300 1.00 1.52 N ATOM 1012 CA LEU A 97 -5.119 3.885 -0.464 1.00 1.52 C ATOM 1013 C LEU A 97 -5.182 5.422 -0.346 1.00 2.35 C ATOM 1014 O LEU A 97 -4.445 6.011 0.445 1.00 2.69 O ATOM 1015 CB LEU A 97 -4.591 3.453 -1.846 1.00 1.64 C ATOM 1016 CG LEU A 97 -3.112 3.041 -1.847 1.00 1.95 C ATOM 1017 CD1 LEU A 97 -2.775 2.388 -3.186 1.00 2.92 C ATOM 1018 CD2 LEU A 97 -2.175 4.226 -1.622 1.00 3.78 C ATOM 0 H LEU A 97 -6.723 2.700 -1.080 1.00 1.52 H new ATOM 0 HA LEU A 97 -4.447 3.538 0.321 1.00 1.52 H new ATOM 0 HB2 LEU A 97 -5.191 2.618 -2.208 1.00 1.64 H new ATOM 0 HB3 LEU A 97 -4.730 4.274 -2.550 1.00 1.64 H new ATOM 0 HG LEU A 97 -2.966 2.343 -1.022 1.00 1.95 H new ATOM 0 HD11 LEU A 97 -1.726 2.093 -3.193 1.00 2.92 H new ATOM 0 HD12 LEU A 97 -3.401 1.507 -3.329 1.00 2.92 H new ATOM 0 HD13 LEU A 97 -2.958 3.097 -3.993 1.00 2.92 H new ATOM 0 HD21 LEU A 97 -1.142 3.880 -1.632 1.00 3.78 H new ATOM 0 HD22 LEU A 97 -2.319 4.960 -2.415 1.00 3.78 H new ATOM 0 HD23 LEU A 97 -2.394 4.686 -0.658 1.00 3.78 H new ATOM 1030 N GLY A 98 -6.126 6.057 -1.050 1.00 2.88 N ATOM 1031 CA GLY A 98 -6.486 7.469 -0.882 1.00 4.18 C ATOM 1032 C GLY A 98 -7.223 8.060 -2.088 1.00 3.05 C ATOM 1033 O GLY A 98 -8.310 8.623 -1.956 1.00 4.46 O ATOM 0 H GLY A 98 -6.675 5.590 -1.772 1.00 2.88 H new ATOM 0 HA2 GLY A 98 -7.113 7.573 0.003 1.00 4.18 H new ATOM 0 HA3 GLY A 98 -5.580 8.048 -0.701 1.00 4.18 H new ATOM 1037 N GLY A 99 -6.614 7.962 -3.272 1.00 1.32 N ATOM 1038 CA GLY A 99 -7.104 8.537 -4.527 1.00 1.98 C ATOM 1039 C GLY A 99 -6.100 9.491 -5.185 1.00 2.79 C ATOM 1040 O GLY A 99 -5.754 9.301 -6.356 1.00 3.56 O ATOM 0 H GLY A 99 -5.733 7.461 -3.387 1.00 1.32 H new ATOM 0 HA2 GLY A 99 -7.339 7.731 -5.222 1.00 1.98 H new ATOM 0 HA3 GLY A 99 -8.033 9.073 -4.335 1.00 1.98 H new ATOM 1044 N PRO A 100 -5.605 10.512 -4.459 1.00 3.05 N ATOM 1045 CA PRO A 100 -4.904 11.648 -5.052 1.00 3.89 C ATOM 1046 C PRO A 100 -3.384 11.488 -5.191 1.00 3.37 C ATOM 1047 O PRO A 100 -2.739 12.400 -5.717 1.00 4.13 O ATOM 1048 CB PRO A 100 -5.284 12.809 -4.140 1.00 4.76 C ATOM 1049 CG PRO A 100 -5.289 12.161 -2.764 1.00 4.26 C ATOM 1050 CD PRO A 100 -5.997 10.859 -3.095 1.00 3.34 C ATOM 0 HA PRO A 100 -5.201 11.785 -6.092 1.00 3.89 H new ATOM 0 HB2 PRO A 100 -4.564 13.625 -4.201 1.00 4.76 H new ATOM 0 HB3 PRO A 100 -6.259 13.224 -4.396 1.00 4.76 H new ATOM 0 HG2 PRO A 100 -4.284 12.002 -2.373 1.00 4.26 H new ATOM 0 HG3 PRO A 100 -5.828 12.754 -2.025 1.00 4.26 H new ATOM 0 HD2 PRO A 100 -5.711 10.073 -2.397 1.00 3.34 H new ATOM 0 HD3 PRO A 100 -7.078 10.975 -3.019 1.00 3.34 H new ATOM 1058 N VAL A 101 -2.783 10.364 -4.774 1.00 2.28 N ATOM 1059 CA VAL A 101 -1.365 10.082 -4.996 1.00 1.98 C ATOM 1060 C VAL A 101 -1.073 10.031 -6.502 1.00 2.20 C ATOM 1061 O VAL A 101 -1.590 9.170 -7.216 1.00 2.61 O ATOM 1062 CB VAL A 101 -0.963 8.776 -4.284 1.00 1.61 C ATOM 1063 CG1 VAL A 101 -0.587 9.054 -2.825 1.00 1.26 C ATOM 1064 CG2 VAL A 101 -2.022 7.662 -4.303 1.00 2.70 C ATOM 0 H VAL A 101 -3.273 9.624 -4.271 1.00 2.28 H new ATOM 0 HA VAL A 101 -0.762 10.883 -4.568 1.00 1.98 H new ATOM 0 HB VAL A 101 -0.114 8.409 -4.860 1.00 1.61 H new ATOM 0 HG11 VAL A 101 -0.306 8.121 -2.338 1.00 1.26 H new ATOM 0 HG12 VAL A 101 0.253 9.748 -2.792 1.00 1.26 H new ATOM 0 HG13 VAL A 101 -1.440 9.491 -2.306 1.00 1.26 H new ATOM 0 HG21 VAL A 101 -1.640 6.788 -3.776 1.00 2.70 H new ATOM 0 HG22 VAL A 101 -2.929 8.014 -3.812 1.00 2.70 H new ATOM 0 HG23 VAL A 101 -2.249 7.393 -5.335 1.00 2.70 H new ATOM 1074 N HIS A 102 -0.295 10.996 -6.997 1.00 2.01 N ATOM 1075 CA HIS A 102 0.028 11.159 -8.420 1.00 2.20 C ATOM 1076 C HIS A 102 0.933 10.024 -8.937 1.00 2.13 C ATOM 1077 O HIS A 102 0.754 9.581 -10.078 1.00 2.34 O ATOM 1078 CB HIS A 102 0.690 12.528 -8.648 1.00 2.29 C ATOM 1079 CG HIS A 102 -0.242 13.720 -8.564 1.00 2.40 C ATOM 1080 ND1 HIS A 102 -0.938 14.292 -9.606 1.00 2.92 N ATOM 1081 CD2 HIS A 102 -0.492 14.489 -7.460 1.00 2.87 C ATOM 1082 CE1 HIS A 102 -1.571 15.383 -9.144 1.00 3.84 C ATOM 1083 NE2 HIS A 102 -1.311 15.566 -7.836 1.00 3.95 N ATOM 0 H HIS A 102 0.140 11.705 -6.406 1.00 2.01 H new ATOM 0 HA HIS A 102 -0.902 11.109 -8.986 1.00 2.20 H new ATOM 0 HB2 HIS A 102 1.484 12.656 -7.913 1.00 2.29 H new ATOM 0 HB3 HIS A 102 1.163 12.526 -9.630 1.00 2.29 H new ATOM 0 HD2 HIS A 102 -0.121 14.299 -6.464 1.00 2.87 H new ATOM 0 HE1 HIS A 102 -2.202 16.025 -9.740 1.00 3.84 H new ATOM 0 HE2 HIS A 102 -1.640 16.327 -7.242 1.00 3.95 H new ATOM 1091 N ALA A 103 1.844 9.526 -8.090 1.00 1.86 N ATOM 1092 CA ALA A 103 2.695 8.365 -8.340 1.00 1.79 C ATOM 1093 C ALA A 103 2.806 7.436 -7.125 1.00 1.46 C ATOM 1094 O ALA A 103 2.878 7.867 -5.969 1.00 1.22 O ATOM 1095 CB ALA A 103 4.107 8.804 -8.705 1.00 1.87 C ATOM 0 H ALA A 103 2.012 9.942 -7.174 1.00 1.86 H new ATOM 0 HA ALA A 103 2.222 7.824 -9.160 1.00 1.79 H new ATOM 0 HB1 ALA A 103 4.726 7.925 -8.887 1.00 1.87 H new ATOM 0 HB2 ALA A 103 4.076 9.419 -9.604 1.00 1.87 H new ATOM 0 HB3 ALA A 103 4.532 9.383 -7.885 1.00 1.87 H new ATOM 1101 N LEU A 104 2.919 6.147 -7.413 1.00 1.52 N ATOM 1102 CA LEU A 104 3.248 5.120 -6.453 1.00 1.40 C ATOM 1103 C LEU A 104 3.807 3.826 -7.070 1.00 1.48 C ATOM 1104 O LEU A 104 3.639 3.557 -8.262 1.00 1.77 O ATOM 1105 CB LEU A 104 2.061 4.847 -5.519 1.00 1.42 C ATOM 1106 CG LEU A 104 0.765 4.252 -6.094 1.00 1.59 C ATOM 1107 CD1 LEU A 104 -0.067 3.767 -4.908 1.00 1.75 C ATOM 1108 CD2 LEU A 104 -0.101 5.267 -6.842 1.00 1.69 C ATOM 0 H LEU A 104 2.778 5.782 -8.355 1.00 1.52 H new ATOM 0 HA LEU A 104 4.073 5.518 -5.862 1.00 1.40 H new ATOM 0 HB2 LEU A 104 2.410 4.174 -4.736 1.00 1.42 H new ATOM 0 HB3 LEU A 104 1.802 5.789 -5.037 1.00 1.42 H new ATOM 0 HG LEU A 104 1.050 3.471 -6.799 1.00 1.59 H new ATOM 0 HD11 LEU A 104 -1.000 3.335 -5.270 1.00 1.75 H new ATOM 0 HD12 LEU A 104 0.492 3.012 -4.356 1.00 1.75 H new ATOM 0 HD13 LEU A 104 -0.288 4.608 -4.250 1.00 1.75 H new ATOM 0 HD21 LEU A 104 -0.997 4.773 -7.218 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -0.387 6.071 -6.164 1.00 1.69 H new ATOM 0 HD23 LEU A 104 0.463 5.681 -7.678 1.00 1.69 H new ATOM 1120 N ALA A 105 4.484 3.039 -6.235 1.00 1.31 N ATOM 1121 CA ALA A 105 4.860 1.650 -6.494 1.00 1.33 C ATOM 1122 C ALA A 105 4.524 0.762 -5.278 1.00 1.18 C ATOM 1123 O ALA A 105 4.776 1.136 -4.123 1.00 1.10 O ATOM 1124 CB ALA A 105 6.343 1.596 -6.882 1.00 1.37 C ATOM 0 H ALA A 105 4.799 3.366 -5.321 1.00 1.31 H new ATOM 0 HA ALA A 105 4.283 1.252 -7.329 1.00 1.33 H new ATOM 0 HB1 ALA A 105 6.631 0.563 -7.077 1.00 1.37 H new ATOM 0 HB2 ALA A 105 6.506 2.193 -7.779 1.00 1.37 H new ATOM 0 HB3 ALA A 105 6.947 1.993 -6.066 1.00 1.37 H new ATOM 1130 N ILE A 106 3.928 -0.406 -5.537 1.00 1.15 N ATOM 1131 CA ILE A 106 3.405 -1.313 -4.518 1.00 0.93 C ATOM 1132 C ILE A 106 3.914 -2.751 -4.671 1.00 0.78 C ATOM 1133 O ILE A 106 4.217 -3.209 -5.775 1.00 0.82 O ATOM 1134 CB ILE A 106 1.863 -1.246 -4.446 1.00 1.03 C ATOM 1135 CG1 ILE A 106 1.116 -1.797 -5.684 1.00 1.06 C ATOM 1136 CG2 ILE A 106 1.401 0.191 -4.144 1.00 1.41 C ATOM 1137 CD1 ILE A 106 0.590 -3.228 -5.496 1.00 1.17 C ATOM 0 H ILE A 106 3.794 -0.753 -6.487 1.00 1.15 H new ATOM 0 HA ILE A 106 3.797 -0.964 -3.563 1.00 0.93 H new ATOM 0 HB ILE A 106 1.593 -1.916 -3.630 1.00 1.03 H new ATOM 0 HG12 ILE A 106 0.279 -1.138 -5.916 1.00 1.06 H new ATOM 0 HG13 ILE A 106 1.787 -1.775 -6.543 1.00 1.06 H new ATOM 0 HG21 ILE A 106 0.312 0.221 -4.097 1.00 1.41 H new ATOM 0 HG22 ILE A 106 1.815 0.513 -3.188 1.00 1.41 H new ATOM 0 HG23 ILE A 106 1.748 0.858 -4.933 1.00 1.41 H new ATOM 0 HD11 ILE A 106 0.078 -3.549 -6.403 1.00 1.17 H new ATOM 0 HD12 ILE A 106 1.425 -3.899 -5.294 1.00 1.17 H new ATOM 0 HD13 ILE A 106 -0.106 -3.253 -4.658 1.00 1.17 H new ATOM 1149 N GLN A 107 3.972 -3.466 -3.546 1.00 0.75 N ATOM 1150 CA GLN A 107 4.305 -4.889 -3.445 1.00 0.72 C ATOM 1151 C GLN A 107 3.335 -5.614 -2.496 1.00 0.70 C ATOM 1152 O GLN A 107 3.331 -5.320 -1.302 1.00 0.71 O ATOM 1153 CB GLN A 107 5.749 -5.031 -2.924 1.00 0.76 C ATOM 1154 CG GLN A 107 6.825 -4.767 -3.987 1.00 1.04 C ATOM 1155 CD GLN A 107 7.273 -3.313 -4.142 1.00 1.81 C ATOM 1156 OE1 GLN A 107 7.284 -2.514 -3.213 1.00 2.82 O ATOM 1157 NE2 GLN A 107 7.761 -2.961 -5.311 1.00 2.72 N ATOM 0 H GLN A 107 3.779 -3.048 -2.636 1.00 0.75 H new ATOM 0 HA GLN A 107 4.217 -5.344 -4.432 1.00 0.72 H new ATOM 0 HB2 GLN A 107 5.895 -4.339 -2.095 1.00 0.76 H new ATOM 0 HB3 GLN A 107 5.884 -6.037 -2.527 1.00 0.76 H new ATOM 0 HG2 GLN A 107 7.700 -5.372 -3.748 1.00 1.04 H new ATOM 0 HG3 GLN A 107 6.450 -5.115 -4.949 1.00 1.04 H new ATOM 0 HE21 GLN A 107 7.754 -3.623 -6.087 1.00 2.72 H new ATOM 0 HE22 GLN A 107 8.147 -2.026 -5.442 1.00 2.72 H new ATOM 1166 N ALA A 108 2.557 -6.587 -2.987 1.00 0.74 N ATOM 1167 CA ALA A 108 1.696 -7.455 -2.164 1.00 0.67 C ATOM 1168 C ALA A 108 2.321 -8.849 -1.960 1.00 0.65 C ATOM 1169 O ALA A 108 2.811 -9.441 -2.924 1.00 0.81 O ATOM 1170 CB ALA A 108 0.307 -7.535 -2.807 1.00 0.83 C ATOM 0 H ALA A 108 2.505 -6.799 -3.983 1.00 0.74 H new ATOM 0 HA ALA A 108 1.598 -7.022 -1.168 1.00 0.67 H new ATOM 0 HB1 ALA A 108 -0.337 -8.176 -2.204 1.00 0.83 H new ATOM 0 HB2 ALA A 108 -0.126 -6.536 -2.864 1.00 0.83 H new ATOM 0 HB3 ALA A 108 0.394 -7.950 -3.811 1.00 0.83 H new ATOM 1176 N ARG A 109 2.354 -9.363 -0.720 1.00 0.62 N ATOM 1177 CA ARG A 109 3.089 -10.594 -0.342 1.00 0.59 C ATOM 1178 C ARG A 109 2.461 -11.382 0.842 1.00 0.54 C ATOM 1179 O ARG A 109 1.492 -10.953 1.494 1.00 0.55 O ATOM 1180 CB ARG A 109 4.574 -10.200 -0.091 1.00 0.79 C ATOM 1181 CG ARG A 109 5.484 -10.192 -1.341 1.00 1.19 C ATOM 1182 CD ARG A 109 5.820 -8.747 -1.744 1.00 1.07 C ATOM 1183 NE ARG A 109 6.630 -8.645 -2.969 1.00 1.58 N ATOM 1184 CZ ARG A 109 6.192 -8.439 -4.198 1.00 2.61 C ATOM 1185 NH1 ARG A 109 4.950 -8.524 -4.561 1.00 3.99 N ATOM 1186 NH2 ARG A 109 7.027 -8.082 -5.118 1.00 3.11 N ATOM 0 H ARG A 109 1.865 -8.933 0.065 1.00 0.62 H new ATOM 0 HA ARG A 109 3.022 -11.305 -1.166 1.00 0.59 H new ATOM 0 HB2 ARG A 109 4.597 -9.208 0.359 1.00 0.79 H new ATOM 0 HB3 ARG A 109 4.996 -10.891 0.639 1.00 0.79 H new ATOM 0 HG2 ARG A 109 6.402 -10.743 -1.135 1.00 1.19 H new ATOM 0 HG3 ARG A 109 4.985 -10.701 -2.166 1.00 1.19 H new ATOM 0 HD2 ARG A 109 4.891 -8.194 -1.886 1.00 1.07 H new ATOM 0 HD3 ARG A 109 6.355 -8.266 -0.925 1.00 1.07 H new ATOM 0 HE ARG A 109 7.639 -8.744 -2.857 1.00 1.58 H new ATOM 0 HH11 ARG A 109 4.234 -8.765 -3.876 1.00 3.99 H new ATOM 0 HH12 ARG A 109 4.689 -8.350 -5.532 1.00 3.99 H new ATOM 0 HH21 ARG A 109 8.014 -7.962 -4.892 1.00 3.11 H new ATOM 0 HH22 ARG A 109 6.699 -7.921 -6.070 1.00 3.11 H new ATOM 1200 N THR A 110 3.033 -12.558 1.126 1.00 0.61 N ATOM 1201 CA THR A 110 2.531 -13.532 2.118 1.00 0.69 C ATOM 1202 C THR A 110 3.232 -13.458 3.492 1.00 0.56 C ATOM 1203 O THR A 110 4.432 -13.164 3.597 1.00 0.57 O ATOM 1204 CB THR A 110 2.605 -14.978 1.589 1.00 1.04 C ATOM 1205 OG1 THR A 110 3.934 -15.441 1.601 1.00 1.29 O ATOM 1206 CG2 THR A 110 2.063 -15.125 0.166 1.00 1.56 C ATOM 0 H THR A 110 3.884 -12.873 0.661 1.00 0.61 H new ATOM 0 HA THR A 110 1.490 -13.246 2.272 1.00 0.69 H new ATOM 0 HB THR A 110 1.979 -15.570 2.257 1.00 1.04 H new ATOM 0 HG1 THR A 110 3.963 -16.361 1.264 1.00 1.29 H new ATOM 0 HG21 THR A 110 2.143 -16.166 -0.148 1.00 1.56 H new ATOM 0 HG22 THR A 110 1.017 -14.818 0.141 1.00 1.56 H new ATOM 0 HG23 THR A 110 2.642 -14.496 -0.511 1.00 1.56 H new ATOM 1214 N PRO A 111 2.522 -13.758 4.595 1.00 0.57 N ATOM 1215 CA PRO A 111 3.155 -13.832 5.904 1.00 0.59 C ATOM 1216 C PRO A 111 4.138 -15.003 6.024 1.00 0.73 C ATOM 1217 O PRO A 111 5.099 -14.866 6.767 1.00 1.01 O ATOM 1218 CB PRO A 111 2.024 -13.879 6.927 1.00 0.66 C ATOM 1219 CG PRO A 111 0.828 -14.412 6.139 1.00 0.79 C ATOM 1220 CD PRO A 111 1.086 -13.944 4.707 1.00 0.64 C ATOM 0 HA PRO A 111 3.783 -12.959 6.081 1.00 0.59 H new ATOM 0 HB2 PRO A 111 2.272 -14.531 7.765 1.00 0.66 H new ATOM 0 HB3 PRO A 111 1.820 -12.892 7.341 1.00 0.66 H new ATOM 0 HG2 PRO A 111 0.764 -15.499 6.198 1.00 0.79 H new ATOM 0 HG3 PRO A 111 -0.112 -14.016 6.524 1.00 0.79 H new ATOM 0 HD2 PRO A 111 0.731 -14.681 3.987 1.00 0.64 H new ATOM 0 HD3 PRO A 111 0.556 -13.015 4.499 1.00 0.64 H new ATOM 1228 N ALA A 112 4.015 -16.103 5.268 1.00 0.81 N ATOM 1229 CA ALA A 112 5.001 -17.189 5.338 1.00 0.96 C ATOM 1230 C ALA A 112 6.393 -16.782 4.811 1.00 0.86 C ATOM 1231 O ALA A 112 7.398 -17.173 5.407 1.00 1.00 O ATOM 1232 CB ALA A 112 4.479 -18.421 4.594 1.00 1.25 C ATOM 0 H ALA A 112 3.253 -16.263 4.609 1.00 0.81 H new ATOM 0 HA ALA A 112 5.134 -17.428 6.393 1.00 0.96 H new ATOM 0 HB1 ALA A 112 5.217 -19.221 4.652 1.00 1.25 H new ATOM 0 HB2 ALA A 112 3.547 -18.754 5.051 1.00 1.25 H new ATOM 0 HB3 ALA A 112 4.301 -18.167 3.549 1.00 1.25 H new ATOM 1238 N GLN A 113 6.479 -15.960 3.756 1.00 0.79 N ATOM 1239 CA GLN A 113 7.757 -15.399 3.286 1.00 0.87 C ATOM 1240 C GLN A 113 8.197 -14.186 4.137 1.00 0.85 C ATOM 1241 O GLN A 113 9.396 -14.034 4.397 1.00 1.02 O ATOM 1242 CB GLN A 113 7.688 -15.119 1.773 1.00 1.02 C ATOM 1243 CG GLN A 113 6.856 -13.881 1.419 1.00 1.00 C ATOM 1244 CD GLN A 113 6.494 -13.752 -0.065 1.00 1.09 C ATOM 1245 OE1 GLN A 113 5.418 -13.286 -0.419 1.00 1.46 O ATOM 1246 NE2 GLN A 113 7.356 -14.101 -0.995 1.00 2.28 N ATOM 0 H GLN A 113 5.672 -15.666 3.206 1.00 0.79 H new ATOM 0 HA GLN A 113 8.547 -16.136 3.428 1.00 0.87 H new ATOM 0 HB2 GLN A 113 8.700 -14.989 1.389 1.00 1.02 H new ATOM 0 HB3 GLN A 113 7.265 -15.988 1.269 1.00 1.02 H new ATOM 0 HG2 GLN A 113 5.936 -13.900 2.003 1.00 1.00 H new ATOM 0 HG3 GLN A 113 7.407 -12.991 1.723 1.00 1.00 H new ATOM 0 HE21 GLN A 113 8.260 -14.492 -0.731 1.00 2.28 H new ATOM 0 HE22 GLN A 113 7.120 -13.981 -1.980 1.00 2.28 H new ATOM 1255 N TRP A 114 7.267 -13.354 4.650 1.00 0.73 N ATOM 1256 CA TRP A 114 7.653 -12.284 5.583 1.00 0.77 C ATOM 1257 C TRP A 114 8.173 -12.832 6.924 1.00 0.97 C ATOM 1258 O TRP A 114 9.144 -12.305 7.469 1.00 1.15 O ATOM 1259 CB TRP A 114 6.519 -11.280 5.827 1.00 0.63 C ATOM 1260 CG TRP A 114 6.999 -10.047 6.517 1.00 0.62 C ATOM 1261 CD1 TRP A 114 6.856 -9.788 7.831 1.00 0.83 C ATOM 1262 CD2 TRP A 114 7.631 -8.855 5.957 1.00 0.60 C ATOM 1263 NE1 TRP A 114 7.537 -8.634 8.158 1.00 0.71 N ATOM 1264 CE2 TRP A 114 8.003 -7.996 7.035 1.00 0.62 C ATOM 1265 CE3 TRP A 114 7.849 -8.371 4.648 1.00 0.75 C ATOM 1266 CZ2 TRP A 114 8.593 -6.741 6.837 1.00 0.84 C ATOM 1267 CZ3 TRP A 114 8.366 -7.076 4.446 1.00 0.98 C ATOM 1268 CH2 TRP A 114 8.753 -6.267 5.528 1.00 1.05 C ATOM 0 H TRP A 114 6.270 -13.402 4.439 1.00 0.73 H new ATOM 0 HA TRP A 114 8.471 -11.755 5.095 1.00 0.77 H new ATOM 0 HB2 TRP A 114 6.065 -11.008 4.874 1.00 0.63 H new ATOM 0 HB3 TRP A 114 5.741 -11.751 6.428 1.00 0.63 H new ATOM 0 HD1 TRP A 114 6.292 -10.394 8.525 1.00 0.83 H new ATOM 0 HE1 TRP A 114 7.676 -8.298 9.111 1.00 0.71 H new ATOM 0 HE3 TRP A 114 7.618 -8.996 3.798 1.00 0.75 H new ATOM 0 HZ2 TRP A 114 8.919 -6.149 7.679 1.00 0.84 H new ATOM 0 HZ3 TRP A 114 8.467 -6.697 3.440 1.00 0.98 H new ATOM 0 HH2 TRP A 114 9.171 -5.287 5.352 1.00 1.05 H new ATOM 1279 N ARG A 115 7.588 -13.918 7.442 1.00 1.00 N ATOM 1280 CA ARG A 115 8.001 -14.514 8.732 1.00 1.26 C ATOM 1281 C ARG A 115 9.366 -15.194 8.612 1.00 1.44 C ATOM 1282 O ARG A 115 10.229 -14.989 9.463 1.00 1.54 O ATOM 1283 CB ARG A 115 6.897 -15.414 9.351 1.00 1.50 C ATOM 1284 CG ARG A 115 6.823 -16.862 8.833 1.00 1.98 C ATOM 1285 CD ARG A 115 5.600 -17.653 9.328 1.00 2.48 C ATOM 1286 NE ARG A 115 5.710 -18.054 10.748 1.00 3.27 N ATOM 1287 CZ ARG A 115 4.980 -18.959 11.384 1.00 4.56 C ATOM 1288 NH1 ARG A 115 4.078 -19.696 10.800 1.00 5.43 N ATOM 1289 NH2 ARG A 115 5.152 -19.150 12.660 1.00 5.38 N ATOM 0 H ARG A 115 6.819 -14.411 6.988 1.00 1.00 H new ATOM 0 HA ARG A 115 8.128 -13.704 9.451 1.00 1.26 H new ATOM 0 HB2 ARG A 115 7.047 -15.445 10.430 1.00 1.50 H new ATOM 0 HB3 ARG A 115 5.932 -14.939 9.176 1.00 1.50 H new ATOM 0 HG2 ARG A 115 6.812 -16.845 7.743 1.00 1.98 H new ATOM 0 HG3 ARG A 115 7.728 -17.389 9.135 1.00 1.98 H new ATOM 0 HD2 ARG A 115 4.704 -17.047 9.195 1.00 2.48 H new ATOM 0 HD3 ARG A 115 5.477 -18.544 8.713 1.00 2.48 H new ATOM 0 HE ARG A 115 6.427 -17.582 11.298 1.00 3.27 H new ATOM 0 HH11 ARG A 115 3.903 -19.592 9.800 1.00 5.43 H new ATOM 0 HH12 ARG A 115 3.547 -20.377 11.342 1.00 5.43 H new ATOM 0 HH21 ARG A 115 5.847 -18.604 13.168 1.00 5.38 H new ATOM 0 HH22 ARG A 115 4.591 -19.846 13.152 1.00 5.38 H new ATOM 1303 N GLU A 116 9.579 -15.927 7.517 1.00 1.53 N ATOM 1304 CA GLU A 116 10.755 -16.778 7.298 1.00 1.91 C ATOM 1305 C GLU A 116 11.981 -16.009 6.772 1.00 2.01 C ATOM 1306 O GLU A 116 13.102 -16.340 7.169 1.00 2.37 O ATOM 1307 CB GLU A 116 10.324 -17.936 6.379 1.00 2.12 C ATOM 1308 CG GLU A 116 11.339 -19.079 6.221 1.00 2.14 C ATOM 1309 CD GLU A 116 10.717 -20.361 5.624 1.00 2.61 C ATOM 1310 OE1 GLU A 116 9.655 -20.298 4.950 1.00 3.40 O ATOM 1311 OE2 GLU A 116 11.280 -21.460 5.852 1.00 3.32 O ATOM 0 H GLU A 116 8.922 -15.947 6.737 1.00 1.53 H new ATOM 0 HA GLU A 116 11.100 -17.174 8.253 1.00 1.91 H new ATOM 0 HB2 GLU A 116 9.393 -18.353 6.764 1.00 2.12 H new ATOM 0 HB3 GLU A 116 10.107 -17.529 5.391 1.00 2.12 H new ATOM 0 HG2 GLU A 116 12.156 -18.746 5.581 1.00 2.14 H new ATOM 0 HG3 GLU A 116 11.771 -19.311 7.194 1.00 2.14 H new ATOM 1318 N ASN A 117 11.809 -14.979 5.922 1.00 1.91 N ATOM 1319 CA ASN A 117 12.939 -14.179 5.410 1.00 2.24 C ATOM 1320 C ASN A 117 12.703 -12.653 5.303 1.00 2.55 C ATOM 1321 O ASN A 117 13.527 -11.958 4.704 1.00 2.83 O ATOM 1322 CB ASN A 117 13.412 -14.781 4.069 1.00 2.34 C ATOM 1323 CG ASN A 117 14.848 -14.397 3.740 1.00 3.03 C ATOM 1324 OD1 ASN A 117 15.731 -14.430 4.586 1.00 4.09 O ATOM 1325 ND2 ASN A 117 15.153 -14.030 2.521 1.00 3.12 N ATOM 0 H ASN A 117 10.897 -14.681 5.575 1.00 1.91 H new ATOM 0 HA ASN A 117 13.721 -14.248 6.166 1.00 2.24 H new ATOM 0 HB2 ASN A 117 13.329 -15.867 4.111 1.00 2.34 H new ATOM 0 HB3 ASN A 117 12.755 -14.442 3.269 1.00 2.34 H new ATOM 0 HD21 ASN A 117 16.114 -13.778 2.290 1.00 3.12 H new ATOM 0 HD22 ASN A 117 14.430 -13.997 1.802 1.00 3.12 H new ATOM 1332 N SER A 118 11.592 -12.113 5.828 1.00 3.07 N ATOM 1333 CA SER A 118 11.198 -10.694 5.667 1.00 3.98 C ATOM 1334 C SER A 118 11.229 -10.238 4.196 1.00 4.18 C ATOM 1335 O SER A 118 11.818 -9.207 3.856 1.00 4.95 O ATOM 1336 CB SER A 118 12.018 -9.780 6.586 1.00 5.08 C ATOM 1337 OG SER A 118 11.906 -10.159 7.949 1.00 6.27 O ATOM 0 H SER A 118 10.929 -12.653 6.385 1.00 3.07 H new ATOM 0 HA SER A 118 10.157 -10.610 5.980 1.00 3.98 H new ATOM 0 HB2 SER A 118 13.066 -9.810 6.286 1.00 5.08 H new ATOM 0 HB3 SER A 118 11.682 -8.750 6.467 1.00 5.08 H new ATOM 0 HG SER A 118 12.444 -9.554 8.502 1.00 6.27 H new TER 1343 SER A 118