USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 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 -144:sc= 0.729 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.798 K(o=1.5,f=0.92) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -0.0944 K(o=-3.1,f=-3.9) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-4!) USER MOD Set 3.1: A 53 ASN : amide:sc= -0.732 K(o=0.48,f=-3!) USER MOD Set 3.2: A 55 SER OG : rot 153:sc= 1.21 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0259) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00746 USER MOD Single : A 74 SER OG : rot 94:sc= 0.0862 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.000929 X(o=-0.00093,f=0) USER MOD Single : A 90 HIS : no HE2:sc= -0.0117 K(o=-0.012,f=-1.5) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -1.35! C(o=-1.4!,f=-4.7!) USER MOD Single : A 117 ASN : amide:sc= -0.008 K(o=-0.008,f=-0.67) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.621 12.073 8.259 1.00 1.31 N ATOM 2 CA PRO A 31 -1.117 11.957 6.886 1.00 1.36 C ATOM 3 C PRO A 31 -1.711 10.745 6.151 1.00 1.23 C ATOM 4 O PRO A 31 -2.210 9.811 6.796 1.00 1.14 O ATOM 5 CB PRO A 31 0.407 11.838 7.025 1.00 1.54 C ATOM 6 CG PRO A 31 0.592 11.212 8.405 1.00 1.80 C ATOM 7 CD PRO A 31 -0.538 11.847 9.211 1.00 1.42 C ATOM 0 HA PRO A 31 -1.405 12.820 6.285 1.00 1.36 H new ATOM 0 HB2 PRO A 31 0.834 11.213 6.240 1.00 1.54 H new ATOM 0 HB3 PRO A 31 0.893 12.811 6.957 1.00 1.54 H new ATOM 0 HG2 PRO A 31 0.506 10.126 8.373 1.00 1.80 H new ATOM 0 HG3 PRO A 31 1.570 11.442 8.827 1.00 1.80 H new ATOM 0 HD2 PRO A 31 -0.858 11.191 10.021 1.00 1.42 H new ATOM 0 HD3 PRO A 31 -0.216 12.783 9.667 1.00 1.42 H new ATOM 15 N VAL A 32 -1.600 10.704 4.811 1.00 1.24 N ATOM 16 CA VAL A 32 -2.196 9.608 4.004 1.00 1.19 C ATOM 17 C VAL A 32 -1.658 8.230 4.393 1.00 0.99 C ATOM 18 O VAL A 32 -2.304 7.220 4.143 1.00 0.92 O ATOM 19 CB VAL A 32 -2.067 9.769 2.467 1.00 1.37 C ATOM 20 CG1 VAL A 32 -2.434 11.171 1.973 1.00 2.49 C ATOM 21 CG2 VAL A 32 -0.695 9.375 1.896 1.00 1.52 C ATOM 0 H VAL A 32 -1.108 11.409 4.261 1.00 1.24 H new ATOM 0 HA VAL A 32 -3.255 9.683 4.249 1.00 1.19 H new ATOM 0 HB VAL A 32 -2.798 9.056 2.086 1.00 1.37 H new ATOM 0 HG11 VAL A 32 -2.322 11.216 0.890 1.00 2.49 H new ATOM 0 HG12 VAL A 32 -3.467 11.392 2.241 1.00 2.49 H new ATOM 0 HG13 VAL A 32 -1.774 11.904 2.436 1.00 2.49 H new ATOM 0 HG21 VAL A 32 -0.695 9.519 0.816 1.00 1.52 H new ATOM 0 HG22 VAL A 32 0.079 9.998 2.345 1.00 1.52 H new ATOM 0 HG23 VAL A 32 -0.494 8.328 2.122 1.00 1.52 H new ATOM 31 N GLU A 33 -0.487 8.180 5.034 1.00 0.94 N ATOM 32 CA GLU A 33 0.194 6.939 5.397 1.00 0.83 C ATOM 33 C GLU A 33 -0.473 6.294 6.626 1.00 0.77 C ATOM 34 O GLU A 33 -0.729 5.091 6.667 1.00 0.70 O ATOM 35 CB GLU A 33 1.709 7.218 5.500 1.00 0.91 C ATOM 36 CG GLU A 33 2.252 7.588 6.882 1.00 1.03 C ATOM 37 CD GLU A 33 3.550 8.405 6.815 1.00 1.35 C ATOM 38 OE1 GLU A 33 3.503 9.626 7.117 1.00 2.45 O ATOM 39 OE2 GLU A 33 4.607 7.855 6.424 1.00 2.07 O ATOM 0 H GLU A 33 0.021 9.017 5.319 1.00 0.94 H new ATOM 0 HA GLU A 33 0.091 6.175 4.626 1.00 0.83 H new ATOM 0 HB2 GLU A 33 2.241 6.333 5.152 1.00 0.91 H new ATOM 0 HB3 GLU A 33 1.953 8.027 4.812 1.00 0.91 H new ATOM 0 HG2 GLU A 33 1.497 8.159 7.423 1.00 1.03 H new ATOM 0 HG3 GLU A 33 2.431 6.677 7.452 1.00 1.03 H new ATOM 46 N ALA A 34 -0.906 7.128 7.567 1.00 0.89 N ATOM 47 CA ALA A 34 -1.717 6.716 8.698 1.00 0.89 C ATOM 48 C ALA A 34 -3.187 6.487 8.295 1.00 0.90 C ATOM 49 O ALA A 34 -3.823 5.555 8.791 1.00 0.88 O ATOM 50 CB ALA A 34 -1.523 7.770 9.782 1.00 0.98 C ATOM 0 H ALA A 34 -0.697 8.126 7.561 1.00 0.89 H new ATOM 0 HA ALA A 34 -1.403 5.746 9.085 1.00 0.89 H new ATOM 0 HB1 ALA A 34 -2.115 7.504 10.658 1.00 0.98 H new ATOM 0 HB2 ALA A 34 -0.470 7.819 10.057 1.00 0.98 H new ATOM 0 HB3 ALA A 34 -1.845 8.741 9.407 1.00 0.98 H new ATOM 56 N ALA A 35 -3.713 7.264 7.338 1.00 0.97 N ATOM 57 CA ALA A 35 -5.042 7.021 6.770 1.00 1.01 C ATOM 58 C ALA A 35 -5.128 5.648 6.071 1.00 0.95 C ATOM 59 O ALA A 35 -6.016 4.855 6.381 1.00 0.94 O ATOM 60 CB ALA A 35 -5.403 8.170 5.821 1.00 1.13 C ATOM 0 H ALA A 35 -3.233 8.071 6.940 1.00 0.97 H new ATOM 0 HA ALA A 35 -5.771 6.991 7.580 1.00 1.01 H new ATOM 0 HB1 ALA A 35 -6.391 7.994 5.396 1.00 1.13 H new ATOM 0 HB2 ALA A 35 -5.408 9.110 6.373 1.00 1.13 H new ATOM 0 HB3 ALA A 35 -4.667 8.224 5.019 1.00 1.13 H new ATOM 66 N ILE A 36 -4.175 5.317 5.190 1.00 0.94 N ATOM 67 CA ILE A 36 -4.125 4.013 4.508 1.00 0.94 C ATOM 68 C ILE A 36 -3.834 2.870 5.476 1.00 0.84 C ATOM 69 O ILE A 36 -4.464 1.824 5.332 1.00 0.85 O ATOM 70 CB ILE A 36 -3.133 4.033 3.334 1.00 1.06 C ATOM 71 CG1 ILE A 36 -3.359 2.880 2.337 1.00 1.44 C ATOM 72 CG2 ILE A 36 -1.681 4.054 3.800 1.00 1.60 C ATOM 73 CD1 ILE A 36 -2.365 2.905 1.170 1.00 1.47 C ATOM 0 H ILE A 36 -3.415 5.945 4.928 1.00 0.94 H new ATOM 0 HA ILE A 36 -5.117 3.828 4.095 1.00 0.94 H new ATOM 0 HB ILE A 36 -3.333 4.966 2.807 1.00 1.06 H new ATOM 0 HG12 ILE A 36 -3.273 1.929 2.862 1.00 1.44 H new ATOM 0 HG13 ILE A 36 -4.375 2.937 1.945 1.00 1.44 H new ATOM 0 HG21 ILE A 36 -1.021 4.068 2.933 1.00 1.60 H new ATOM 0 HG22 ILE A 36 -1.505 4.944 4.404 1.00 1.60 H new ATOM 0 HG23 ILE A 36 -1.478 3.165 4.397 1.00 1.60 H new ATOM 0 HD11 ILE A 36 -2.570 2.071 0.499 1.00 1.47 H new ATOM 0 HD12 ILE A 36 -2.468 3.843 0.625 1.00 1.47 H new ATOM 0 HD13 ILE A 36 -1.349 2.819 1.555 1.00 1.47 H new ATOM 85 N ARG A 37 -2.973 3.071 6.495 1.00 0.80 N ATOM 86 CA ARG A 37 -2.881 2.111 7.627 1.00 0.78 C ATOM 87 C ARG A 37 -4.281 1.790 8.154 1.00 0.83 C ATOM 88 O ARG A 37 -4.723 0.649 8.042 1.00 0.86 O ATOM 89 CB ARG A 37 -1.989 2.581 8.799 1.00 0.81 C ATOM 90 CG ARG A 37 -0.477 2.530 8.529 1.00 1.52 C ATOM 91 CD ARG A 37 0.312 1.946 9.715 1.00 2.11 C ATOM 92 NE ARG A 37 1.669 1.516 9.328 1.00 3.39 N ATOM 93 CZ ARG A 37 2.801 2.181 9.449 1.00 4.65 C ATOM 94 NH1 ARG A 37 2.888 3.402 9.879 1.00 5.17 N ATOM 95 NH2 ARG A 37 3.898 1.584 9.096 1.00 5.98 N ATOM 0 H ARG A 37 -2.342 3.870 6.563 1.00 0.80 H new ATOM 0 HA ARG A 37 -2.401 1.223 7.217 1.00 0.78 H new ATOM 0 HB2 ARG A 37 -2.262 3.605 9.055 1.00 0.81 H new ATOM 0 HB3 ARG A 37 -2.208 1.965 9.671 1.00 0.81 H new ATOM 0 HG2 ARG A 37 -0.290 1.928 7.640 1.00 1.52 H new ATOM 0 HG3 ARG A 37 -0.115 3.536 8.315 1.00 1.52 H new ATOM 0 HD2 ARG A 37 0.382 2.694 10.505 1.00 2.11 H new ATOM 0 HD3 ARG A 37 -0.232 1.096 10.127 1.00 2.11 H new ATOM 0 HE ARG A 37 1.741 0.586 8.914 1.00 3.39 H new ATOM 0 HH11 ARG A 37 2.045 3.909 10.149 1.00 5.17 H new ATOM 0 HH12 ARG A 37 3.799 3.855 9.947 1.00 5.17 H new ATOM 0 HH21 ARG A 37 3.867 0.629 8.738 1.00 5.98 H new ATOM 0 HH22 ARG A 37 4.791 2.069 9.177 1.00 5.98 H new ATOM 109 N THR A 38 -5.012 2.802 8.621 1.00 0.87 N ATOM 110 CA THR A 38 -6.376 2.635 9.162 1.00 0.96 C ATOM 111 C THR A 38 -7.348 1.953 8.186 1.00 0.94 C ATOM 112 O THR A 38 -8.055 1.022 8.589 1.00 0.92 O ATOM 113 CB THR A 38 -6.911 3.984 9.694 1.00 1.14 C ATOM 114 OG1 THR A 38 -6.920 3.918 11.102 1.00 1.81 O ATOM 115 CG2 THR A 38 -8.325 4.397 9.270 1.00 2.09 C ATOM 0 H THR A 38 -4.681 3.767 8.638 1.00 0.87 H new ATOM 0 HA THR A 38 -6.306 1.943 10.001 1.00 0.96 H new ATOM 0 HB THR A 38 -6.243 4.729 9.261 1.00 1.14 H new ATOM 0 HG1 THR A 38 -7.254 4.764 11.467 1.00 1.81 H new ATOM 0 HG21 THR A 38 -8.571 5.361 9.714 1.00 2.09 H new ATOM 0 HG22 THR A 38 -8.371 4.476 8.184 1.00 2.09 H new ATOM 0 HG23 THR A 38 -9.040 3.648 9.610 1.00 2.09 H new ATOM 123 N LYS A 39 -7.366 2.364 6.909 1.00 0.98 N ATOM 124 CA LYS A 39 -8.286 1.835 5.886 1.00 1.05 C ATOM 125 C LYS A 39 -8.006 0.376 5.530 1.00 0.95 C ATOM 126 O LYS A 39 -8.954 -0.389 5.353 1.00 1.00 O ATOM 127 CB LYS A 39 -8.231 2.707 4.617 1.00 1.21 C ATOM 128 CG LYS A 39 -8.924 4.067 4.800 1.00 1.33 C ATOM 129 CD LYS A 39 -8.886 4.872 3.491 1.00 2.74 C ATOM 130 CE LYS A 39 -9.536 6.257 3.605 1.00 3.59 C ATOM 131 NZ LYS A 39 -10.966 6.181 3.982 1.00 3.77 N ATOM 0 H LYS A 39 -6.735 3.082 6.552 1.00 0.98 H new ATOM 0 HA LYS A 39 -9.287 1.871 6.316 1.00 1.05 H new ATOM 0 HB2 LYS A 39 -7.190 2.869 4.338 1.00 1.21 H new ATOM 0 HB3 LYS A 39 -8.703 2.172 3.793 1.00 1.21 H new ATOM 0 HG2 LYS A 39 -9.958 3.916 5.111 1.00 1.33 H new ATOM 0 HG3 LYS A 39 -8.431 4.629 5.594 1.00 1.33 H new ATOM 0 HD2 LYS A 39 -7.849 4.991 3.177 1.00 2.74 H new ATOM 0 HD3 LYS A 39 -9.393 4.305 2.710 1.00 2.74 H new ATOM 0 HE2 LYS A 39 -8.999 6.847 4.347 1.00 3.59 H new ATOM 0 HE3 LYS A 39 -9.441 6.779 2.653 1.00 3.59 H new ATOM 0 HZ1 LYS A 39 -11.377 7.136 3.980 1.00 3.77 H new ATOM 0 HZ2 LYS A 39 -11.474 5.584 3.298 1.00 3.77 H new ATOM 0 HZ3 LYS A 39 -11.053 5.769 4.933 1.00 3.77 H new ATOM 145 N LEU A 40 -6.737 -0.026 5.431 1.00 0.85 N ATOM 146 CA LEU A 40 -6.339 -1.390 5.068 1.00 0.82 C ATOM 147 C LEU A 40 -6.393 -2.347 6.267 1.00 0.75 C ATOM 148 O LEU A 40 -6.785 -3.508 6.101 1.00 0.78 O ATOM 149 CB LEU A 40 -4.946 -1.343 4.420 1.00 0.82 C ATOM 150 CG LEU A 40 -4.924 -0.931 2.932 1.00 0.90 C ATOM 151 CD1 LEU A 40 -5.367 -2.111 2.065 1.00 1.06 C ATOM 152 CD2 LEU A 40 -5.779 0.279 2.533 1.00 1.26 C ATOM 0 H LEU A 40 -5.946 0.594 5.603 1.00 0.85 H new ATOM 0 HA LEU A 40 -7.051 -1.791 4.347 1.00 0.82 H new ATOM 0 HB2 LEU A 40 -4.325 -0.646 4.982 1.00 0.82 H new ATOM 0 HB3 LEU A 40 -4.486 -2.327 4.514 1.00 0.82 H new ATOM 0 HG LEU A 40 -3.889 -0.631 2.767 1.00 0.90 H new ATOM 0 HD11 LEU A 40 -5.351 -1.818 1.015 1.00 1.06 H new ATOM 0 HD12 LEU A 40 -4.688 -2.950 2.218 1.00 1.06 H new ATOM 0 HD13 LEU A 40 -6.378 -2.407 2.343 1.00 1.06 H new ATOM 0 HD21 LEU A 40 -5.674 0.462 1.464 1.00 1.26 H new ATOM 0 HD22 LEU A 40 -6.825 0.078 2.766 1.00 1.26 H new ATOM 0 HD23 LEU A 40 -5.446 1.158 3.085 1.00 1.26 H new ATOM 164 N GLU A 41 -6.099 -1.838 7.470 1.00 0.70 N ATOM 165 CA GLU A 41 -6.428 -2.490 8.740 1.00 0.69 C ATOM 166 C GLU A 41 -7.923 -2.837 8.803 1.00 0.78 C ATOM 167 O GLU A 41 -8.265 -3.994 9.045 1.00 0.89 O ATOM 168 CB GLU A 41 -6.075 -1.578 9.929 1.00 0.78 C ATOM 169 CG GLU A 41 -4.594 -1.552 10.322 1.00 1.37 C ATOM 170 CD GLU A 41 -4.426 -0.700 11.586 1.00 1.95 C ATOM 171 OE1 GLU A 41 -4.519 0.549 11.531 1.00 3.25 O ATOM 172 OE2 GLU A 41 -4.297 -1.291 12.686 1.00 2.25 O ATOM 0 H GLU A 41 -5.618 -0.946 7.588 1.00 0.70 H new ATOM 0 HA GLU A 41 -5.841 -3.407 8.800 1.00 0.69 H new ATOM 0 HB2 GLU A 41 -6.388 -0.561 9.690 1.00 0.78 H new ATOM 0 HB3 GLU A 41 -6.657 -1.896 10.794 1.00 0.78 H new ATOM 0 HG2 GLU A 41 -4.234 -2.565 10.501 1.00 1.37 H new ATOM 0 HG3 GLU A 41 -3.996 -1.141 9.509 1.00 1.37 H new ATOM 179 N GLU A 42 -8.823 -1.883 8.524 1.00 0.82 N ATOM 180 CA GLU A 42 -10.259 -2.134 8.520 1.00 0.95 C ATOM 181 C GLU A 42 -10.676 -3.054 7.350 1.00 1.02 C ATOM 182 O GLU A 42 -11.562 -3.897 7.539 1.00 1.19 O ATOM 183 CB GLU A 42 -10.982 -0.770 8.575 1.00 1.05 C ATOM 184 CG GLU A 42 -12.378 -0.818 7.966 1.00 1.66 C ATOM 185 CD GLU A 42 -13.225 0.427 8.260 1.00 1.96 C ATOM 186 OE1 GLU A 42 -12.824 1.551 7.888 1.00 2.58 O ATOM 187 OE2 GLU A 42 -14.349 0.271 8.806 1.00 2.74 O ATOM 0 H GLU A 42 -8.570 -0.921 8.296 1.00 0.82 H new ATOM 0 HA GLU A 42 -10.562 -2.698 9.402 1.00 0.95 H new ATOM 0 HB2 GLU A 42 -11.054 -0.443 9.612 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -10.385 -0.026 8.047 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -12.289 -0.939 6.886 1.00 1.66 H new ATOM 0 HG3 GLU A 42 -12.899 -1.698 8.344 1.00 1.66 H new ATOM 194 N ALA A 43 -10.020 -2.982 6.184 1.00 0.96 N ATOM 195 CA ALA A 43 -10.411 -3.760 5.006 1.00 1.06 C ATOM 196 C ALA A 43 -10.033 -5.251 5.042 1.00 1.05 C ATOM 197 O ALA A 43 -10.930 -6.098 5.007 1.00 1.30 O ATOM 198 CB ALA A 43 -9.801 -3.115 3.754 1.00 1.13 C ATOM 0 H ALA A 43 -9.207 -2.385 6.033 1.00 0.96 H new ATOM 0 HA ALA A 43 -11.501 -3.739 4.992 1.00 1.06 H new ATOM 0 HB1 ALA A 43 -10.088 -3.689 2.873 1.00 1.13 H new ATOM 0 HB2 ALA A 43 -10.167 -2.093 3.656 1.00 1.13 H new ATOM 0 HB3 ALA A 43 -8.715 -3.105 3.843 1.00 1.13 H new ATOM 204 N LEU A 44 -8.736 -5.596 5.118 1.00 0.92 N ATOM 205 CA LEU A 44 -8.250 -6.884 4.571 1.00 1.01 C ATOM 206 C LEU A 44 -7.460 -7.759 5.547 1.00 1.19 C ATOM 207 O LEU A 44 -6.968 -8.824 5.179 1.00 1.46 O ATOM 208 CB LEU A 44 -7.579 -6.676 3.221 1.00 1.02 C ATOM 209 CG LEU A 44 -6.234 -5.945 3.160 1.00 0.99 C ATOM 210 CD1 LEU A 44 -5.027 -6.784 3.596 1.00 0.79 C ATOM 211 CD2 LEU A 44 -6.086 -5.639 1.679 1.00 1.58 C ATOM 0 H LEU A 44 -8.013 -5.016 5.544 1.00 0.92 H new ATOM 0 HA LEU A 44 -9.136 -7.496 4.402 1.00 1.01 H new ATOM 0 HB2 LEU A 44 -7.440 -7.658 2.769 1.00 1.02 H new ATOM 0 HB3 LEU A 44 -8.278 -6.130 2.588 1.00 1.02 H new ATOM 0 HG LEU A 44 -6.241 -5.090 3.836 1.00 0.99 H new ATOM 0 HD11 LEU A 44 -4.120 -6.184 3.520 1.00 0.79 H new ATOM 0 HD12 LEU A 44 -5.162 -7.107 4.628 1.00 0.79 H new ATOM 0 HD13 LEU A 44 -4.939 -7.658 2.951 1.00 0.79 H new ATOM 0 HD21 LEU A 44 -5.148 -5.110 1.509 1.00 1.58 H new ATOM 0 HD22 LEU A 44 -6.085 -6.571 1.113 1.00 1.58 H new ATOM 0 HD23 LEU A 44 -6.919 -5.017 1.351 1.00 1.58 H new ATOM 223 N SER A 45 -7.330 -7.274 6.780 1.00 1.21 N ATOM 224 CA SER A 45 -6.571 -7.873 7.883 1.00 1.37 C ATOM 225 C SER A 45 -5.137 -8.293 7.477 1.00 1.26 C ATOM 226 O SER A 45 -4.872 -9.478 7.244 1.00 1.49 O ATOM 227 CB SER A 45 -7.352 -9.004 8.544 1.00 1.76 C ATOM 228 OG SER A 45 -6.885 -9.197 9.870 1.00 2.56 O ATOM 0 H SER A 45 -7.778 -6.400 7.055 1.00 1.21 H new ATOM 0 HA SER A 45 -6.438 -7.093 8.633 1.00 1.37 H new ATOM 0 HB2 SER A 45 -8.416 -8.767 8.554 1.00 1.76 H new ATOM 0 HB3 SER A 45 -7.236 -9.923 7.970 1.00 1.76 H new ATOM 0 HG SER A 45 -7.390 -9.923 10.292 1.00 2.56 H new ATOM 234 N PRO A 46 -4.204 -7.331 7.346 1.00 1.00 N ATOM 235 CA PRO A 46 -2.805 -7.600 7.004 1.00 0.89 C ATOM 236 C PRO A 46 -2.065 -8.555 7.959 1.00 1.08 C ATOM 237 O PRO A 46 -2.545 -8.931 9.025 1.00 1.55 O ATOM 238 CB PRO A 46 -2.121 -6.229 6.942 1.00 0.83 C ATOM 239 CG PRO A 46 -3.256 -5.227 6.745 1.00 0.82 C ATOM 240 CD PRO A 46 -4.435 -5.893 7.446 1.00 0.93 C ATOM 0 HA PRO A 46 -2.772 -8.134 6.055 1.00 0.89 H new ATOM 0 HB2 PRO A 46 -1.568 -6.023 7.858 1.00 0.83 H new ATOM 0 HB3 PRO A 46 -1.406 -6.182 6.120 1.00 0.83 H new ATOM 0 HG2 PRO A 46 -3.020 -4.259 7.187 1.00 0.82 H new ATOM 0 HG3 PRO A 46 -3.461 -5.054 5.689 1.00 0.82 H new ATOM 0 HD2 PRO A 46 -4.497 -5.580 8.488 1.00 0.93 H new ATOM 0 HD3 PRO A 46 -5.377 -5.616 6.973 1.00 0.93 H new ATOM 248 N GLU A 47 -0.856 -8.957 7.587 1.00 0.91 N ATOM 249 CA GLU A 47 0.205 -9.324 8.509 1.00 0.91 C ATOM 250 C GLU A 47 1.218 -8.202 8.724 1.00 0.88 C ATOM 251 O GLU A 47 1.783 -8.104 9.816 1.00 1.07 O ATOM 252 CB GLU A 47 0.900 -10.550 7.951 1.00 0.94 C ATOM 253 CG GLU A 47 1.419 -11.427 9.066 1.00 0.99 C ATOM 254 CD GLU A 47 0.331 -12.130 9.886 1.00 1.23 C ATOM 255 OE1 GLU A 47 0.427 -12.061 11.137 1.00 2.04 O ATOM 256 OE2 GLU A 47 -0.572 -12.791 9.319 1.00 2.30 O ATOM 0 H GLU A 47 -0.582 -9.038 6.608 1.00 0.91 H new ATOM 0 HA GLU A 47 -0.238 -9.526 9.484 1.00 0.91 H new ATOM 0 HB2 GLU A 47 0.206 -11.116 7.330 1.00 0.94 H new ATOM 0 HB3 GLU A 47 1.726 -10.244 7.308 1.00 0.94 H new ATOM 0 HG2 GLU A 47 2.078 -12.183 8.639 1.00 0.99 H new ATOM 0 HG3 GLU A 47 2.025 -10.818 9.737 1.00 0.99 H new ATOM 263 N VAL A 48 1.439 -7.350 7.717 1.00 0.71 N ATOM 264 CA VAL A 48 2.131 -6.073 7.929 1.00 0.73 C ATOM 265 C VAL A 48 1.511 -4.934 7.152 1.00 0.99 C ATOM 266 O VAL A 48 0.888 -5.149 6.105 1.00 1.41 O ATOM 267 CB VAL A 48 3.585 -6.117 7.456 1.00 1.13 C ATOM 268 CG1 VAL A 48 4.483 -7.071 8.187 1.00 0.65 C ATOM 269 CG2 VAL A 48 3.733 -6.423 5.984 1.00 2.52 C ATOM 0 H VAL A 48 1.151 -7.519 6.753 1.00 0.71 H new ATOM 0 HA VAL A 48 2.054 -5.912 9.004 1.00 0.73 H new ATOM 0 HB VAL A 48 3.904 -5.099 7.680 1.00 1.13 H new ATOM 0 HG11 VAL A 48 5.488 -7.018 7.768 1.00 0.65 H new ATOM 0 HG12 VAL A 48 4.516 -6.803 9.243 1.00 0.65 H new ATOM 0 HG13 VAL A 48 4.099 -8.086 8.082 1.00 0.65 H new ATOM 0 HG21 VAL A 48 4.790 -6.438 5.720 1.00 2.52 H new ATOM 0 HG22 VAL A 48 3.291 -7.396 5.768 1.00 2.52 H new ATOM 0 HG23 VAL A 48 3.224 -5.656 5.400 1.00 2.52 H new ATOM 279 N LEU A 49 1.888 -3.716 7.551 1.00 0.96 N ATOM 280 CA LEU A 49 2.096 -2.676 6.556 1.00 0.92 C ATOM 281 C LEU A 49 3.171 -1.645 6.941 1.00 1.11 C ATOM 282 O LEU A 49 3.024 -0.871 7.892 1.00 1.59 O ATOM 283 CB LEU A 49 0.745 -2.054 6.127 1.00 1.37 C ATOM 284 CG LEU A 49 -0.436 -2.132 7.127 1.00 1.39 C ATOM 285 CD1 LEU A 49 -0.221 -1.278 8.376 1.00 1.93 C ATOM 286 CD2 LEU A 49 -1.707 -1.686 6.411 1.00 2.00 C ATOM 0 H LEU A 49 2.049 -3.438 8.519 1.00 0.96 H new ATOM 0 HA LEU A 49 2.521 -3.155 5.674 1.00 0.92 H new ATOM 0 HB2 LEU A 49 0.919 -1.003 5.895 1.00 1.37 H new ATOM 0 HB3 LEU A 49 0.433 -2.537 5.201 1.00 1.37 H new ATOM 0 HG LEU A 49 -0.516 -3.164 7.468 1.00 1.39 H new ATOM 0 HD11 LEU A 49 -1.083 -1.376 9.036 1.00 1.93 H new ATOM 0 HD12 LEU A 49 0.675 -1.615 8.897 1.00 1.93 H new ATOM 0 HD13 LEU A 49 -0.102 -0.234 8.087 1.00 1.93 H new ATOM 0 HD21 LEU A 49 -2.549 -1.735 7.101 1.00 2.00 H new ATOM 0 HD22 LEU A 49 -1.586 -0.662 6.058 1.00 2.00 H new ATOM 0 HD23 LEU A 49 -1.895 -2.342 5.561 1.00 2.00 H new ATOM 298 N GLU A 50 4.248 -1.611 6.146 1.00 0.88 N ATOM 299 CA GLU A 50 5.405 -0.716 6.329 1.00 0.93 C ATOM 300 C GLU A 50 5.595 0.195 5.117 1.00 0.84 C ATOM 301 O GLU A 50 5.722 -0.274 3.990 1.00 0.83 O ATOM 302 CB GLU A 50 6.700 -1.496 6.552 1.00 1.03 C ATOM 303 CG GLU A 50 6.630 -2.483 7.721 1.00 1.16 C ATOM 304 CD GLU A 50 8.007 -3.002 8.172 1.00 1.43 C ATOM 305 OE1 GLU A 50 8.111 -3.504 9.319 1.00 2.44 O ATOM 306 OE2 GLU A 50 9.005 -2.907 7.411 1.00 1.81 O ATOM 0 H GLU A 50 4.344 -2.221 5.334 1.00 0.88 H new ATOM 0 HA GLU A 50 5.190 -0.118 7.214 1.00 0.93 H new ATOM 0 HB2 GLU A 50 6.946 -2.042 5.641 1.00 1.03 H new ATOM 0 HB3 GLU A 50 7.512 -0.791 6.731 1.00 1.03 H new ATOM 0 HG2 GLU A 50 6.139 -1.999 8.565 1.00 1.16 H new ATOM 0 HG3 GLU A 50 6.008 -3.331 7.433 1.00 1.16 H new ATOM 313 N LEU A 51 5.547 1.503 5.326 1.00 0.85 N ATOM 314 CA LEU A 51 5.326 2.470 4.235 1.00 0.77 C ATOM 315 C LEU A 51 5.937 3.877 4.436 1.00 0.93 C ATOM 316 O LEU A 51 6.277 4.255 5.559 1.00 1.11 O ATOM 317 CB LEU A 51 3.817 2.456 3.928 1.00 0.71 C ATOM 318 CG LEU A 51 2.932 3.347 4.790 1.00 0.90 C ATOM 319 CD1 LEU A 51 1.462 3.063 4.498 1.00 1.23 C ATOM 320 CD2 LEU A 51 3.098 3.162 6.293 1.00 1.03 C ATOM 0 H LEU A 51 5.658 1.931 6.245 1.00 0.85 H new ATOM 0 HA LEU A 51 5.893 2.151 3.361 1.00 0.77 H new ATOM 0 HB2 LEU A 51 3.680 2.747 2.886 1.00 0.71 H new ATOM 0 HB3 LEU A 51 3.461 1.430 4.022 1.00 0.71 H new ATOM 0 HG LEU A 51 3.242 4.359 4.530 1.00 0.90 H new ATOM 0 HD11 LEU A 51 0.837 3.705 5.119 1.00 1.23 H new ATOM 0 HD12 LEU A 51 1.255 3.262 3.447 1.00 1.23 H new ATOM 0 HD13 LEU A 51 1.242 2.019 4.719 1.00 1.23 H new ATOM 0 HD21 LEU A 51 2.426 3.840 6.819 1.00 1.03 H new ATOM 0 HD22 LEU A 51 2.859 2.133 6.562 1.00 1.03 H new ATOM 0 HD23 LEU A 51 4.128 3.381 6.575 1.00 1.03 H new ATOM 332 N ARG A 52 6.038 4.675 3.359 1.00 0.92 N ATOM 333 CA ARG A 52 6.581 6.047 3.370 1.00 1.10 C ATOM 334 C ARG A 52 6.143 6.845 2.137 1.00 0.89 C ATOM 335 O ARG A 52 5.861 6.284 1.081 1.00 0.85 O ATOM 336 CB ARG A 52 8.131 6.004 3.419 1.00 1.38 C ATOM 337 CG ARG A 52 8.757 6.396 4.770 1.00 2.33 C ATOM 338 CD ARG A 52 8.279 7.780 5.218 1.00 3.71 C ATOM 339 NE ARG A 52 9.200 8.439 6.154 1.00 4.37 N ATOM 340 CZ ARG A 52 9.202 9.733 6.415 1.00 5.45 C ATOM 341 NH1 ARG A 52 8.285 10.550 5.984 1.00 6.40 N ATOM 342 NH2 ARG A 52 10.137 10.275 7.127 1.00 6.05 N ATOM 0 H ARG A 52 5.736 4.377 2.431 1.00 0.92 H new ATOM 0 HA ARG A 52 6.188 6.544 4.257 1.00 1.10 H new ATOM 0 HB2 ARG A 52 8.458 4.996 3.164 1.00 1.38 H new ATOM 0 HB3 ARG A 52 8.521 6.670 2.649 1.00 1.38 H new ATOM 0 HG2 ARG A 52 8.494 5.655 5.525 1.00 2.33 H new ATOM 0 HG3 ARG A 52 9.844 6.393 4.685 1.00 2.33 H new ATOM 0 HD2 ARG A 52 8.149 8.413 4.340 1.00 3.71 H new ATOM 0 HD3 ARG A 52 7.301 7.684 5.689 1.00 3.71 H new ATOM 0 HE ARG A 52 9.885 7.856 6.635 1.00 4.37 H new ATOM 0 HH11 ARG A 52 7.516 10.198 5.414 1.00 6.40 H new ATOM 0 HH12 ARG A 52 8.336 11.542 6.216 1.00 6.40 H new ATOM 0 HH21 ARG A 52 10.893 9.700 7.499 1.00 6.05 H new ATOM 0 HH22 ARG A 52 10.118 11.277 7.316 1.00 6.05 H new ATOM 356 N ASN A 53 6.142 8.172 2.241 1.00 0.84 N ATOM 357 CA ASN A 53 5.949 9.074 1.106 1.00 0.72 C ATOM 358 C ASN A 53 7.275 9.537 0.459 1.00 0.73 C ATOM 359 O ASN A 53 8.317 9.662 1.108 1.00 0.91 O ATOM 360 CB ASN A 53 4.876 10.124 1.456 1.00 0.85 C ATOM 361 CG ASN A 53 5.338 11.525 1.816 1.00 1.13 C ATOM 362 OD1 ASN A 53 6.316 12.046 1.306 1.00 1.77 O ATOM 363 ND2 ASN A 53 4.595 12.210 2.644 1.00 0.99 N ATOM 0 H ASN A 53 6.277 8.658 3.127 1.00 0.84 H new ATOM 0 HA ASN A 53 5.522 8.544 0.255 1.00 0.72 H new ATOM 0 HB2 ASN A 53 4.198 10.204 0.606 1.00 0.85 H new ATOM 0 HB3 ASN A 53 4.293 9.739 2.293 1.00 0.85 H new ATOM 0 HD21 ASN A 53 4.833 13.177 2.862 1.00 0.99 H new ATOM 0 HD22 ASN A 53 3.777 11.777 3.072 1.00 0.99 H new ATOM 370 N GLU A 54 7.236 9.712 -0.860 1.00 0.79 N ATOM 371 CA GLU A 54 8.389 9.918 -1.750 1.00 0.89 C ATOM 372 C GLU A 54 8.559 11.392 -2.185 1.00 0.77 C ATOM 373 O GLU A 54 9.625 11.795 -2.662 1.00 0.91 O ATOM 374 CB GLU A 54 8.174 8.954 -2.934 1.00 1.19 C ATOM 375 CG GLU A 54 9.293 8.924 -3.978 1.00 1.57 C ATOM 376 CD GLU A 54 9.070 7.786 -4.979 1.00 2.43 C ATOM 377 OE1 GLU A 54 9.954 6.910 -5.119 1.00 2.81 O ATOM 378 OE2 GLU A 54 8.002 7.734 -5.638 1.00 3.54 O ATOM 0 H GLU A 54 6.353 9.715 -1.370 1.00 0.79 H new ATOM 0 HA GLU A 54 9.327 9.701 -1.238 1.00 0.89 H new ATOM 0 HB2 GLU A 54 8.044 7.946 -2.539 1.00 1.19 H new ATOM 0 HB3 GLU A 54 7.243 9.223 -3.434 1.00 1.19 H new ATOM 0 HG2 GLU A 54 9.330 9.877 -4.506 1.00 1.57 H new ATOM 0 HG3 GLU A 54 10.256 8.796 -3.483 1.00 1.57 H new ATOM 385 N SER A 55 7.513 12.206 -1.992 1.00 0.69 N ATOM 386 CA SER A 55 7.352 13.565 -2.529 1.00 0.81 C ATOM 387 C SER A 55 8.346 14.623 -2.044 1.00 1.01 C ATOM 388 O SER A 55 8.492 15.662 -2.682 1.00 1.29 O ATOM 389 CB SER A 55 5.919 14.013 -2.275 1.00 0.99 C ATOM 390 OG SER A 55 5.681 14.320 -0.910 1.00 1.46 O ATOM 0 H SER A 55 6.713 11.920 -1.427 1.00 0.69 H new ATOM 0 HA SER A 55 7.580 13.489 -3.592 1.00 0.81 H new ATOM 0 HB2 SER A 55 5.702 14.890 -2.885 1.00 0.99 H new ATOM 0 HB3 SER A 55 5.234 13.227 -2.592 1.00 0.99 H new ATOM 0 HG SER A 55 4.959 14.980 -0.844 1.00 1.46 H new ATOM 396 N GLY A 56 9.131 14.337 -1.007 1.00 1.02 N ATOM 397 CA GLY A 56 10.275 15.179 -0.616 1.00 1.23 C ATOM 398 C GLY A 56 11.404 15.193 -1.666 1.00 1.33 C ATOM 399 O GLY A 56 12.205 16.131 -1.705 1.00 1.56 O ATOM 0 H GLY A 56 8.998 13.519 -0.412 1.00 1.02 H new ATOM 0 HA2 GLY A 56 9.928 16.199 -0.451 1.00 1.23 H new ATOM 0 HA3 GLY A 56 10.674 14.821 0.333 1.00 1.23 H new ATOM 403 N GLY A 57 11.394 14.228 -2.600 1.00 1.25 N ATOM 404 CA GLY A 57 12.192 14.234 -3.834 1.00 1.45 C ATOM 405 C GLY A 57 11.548 14.960 -5.027 1.00 1.58 C ATOM 406 O GLY A 57 12.018 14.799 -6.156 1.00 2.63 O ATOM 0 H GLY A 57 10.811 13.396 -2.513 1.00 1.25 H new ATOM 0 HA2 GLY A 57 13.155 14.699 -3.623 1.00 1.45 H new ATOM 0 HA3 GLY A 57 12.393 13.202 -4.123 1.00 1.45 H new ATOM 410 N HIS A 58 10.463 15.711 -4.808 1.00 1.07 N ATOM 411 CA HIS A 58 9.743 16.505 -5.813 1.00 1.11 C ATOM 412 C HIS A 58 9.651 17.978 -5.381 1.00 1.28 C ATOM 413 O HIS A 58 9.726 18.301 -4.192 1.00 1.83 O ATOM 414 CB HIS A 58 8.355 15.894 -6.085 1.00 0.99 C ATOM 415 CG HIS A 58 8.455 14.558 -6.779 1.00 1.08 C ATOM 416 ND1 HIS A 58 8.354 14.352 -8.135 1.00 1.43 N ATOM 417 CD2 HIS A 58 8.796 13.357 -6.217 1.00 1.08 C ATOM 418 CE1 HIS A 58 8.676 13.074 -8.388 1.00 1.59 C ATOM 419 NE2 HIS A 58 8.970 12.427 -7.246 1.00 1.37 N ATOM 0 H HIS A 58 10.042 15.786 -3.882 1.00 1.07 H new ATOM 0 HA HIS A 58 10.302 16.480 -6.749 1.00 1.11 H new ATOM 0 HB2 HIS A 58 7.820 15.775 -5.143 1.00 0.99 H new ATOM 0 HB3 HIS A 58 7.771 16.579 -6.699 1.00 0.99 H new ATOM 0 HD2 HIS A 58 8.911 13.162 -5.161 1.00 1.08 H new ATOM 0 HE1 HIS A 58 8.696 12.627 -9.371 1.00 1.59 H new ATOM 0 HE2 HIS A 58 9.261 11.454 -7.150 1.00 1.37 H new ATOM 427 N ALA A 59 9.491 18.885 -6.347 1.00 1.74 N ATOM 428 CA ALA A 59 9.419 20.332 -6.127 1.00 1.97 C ATOM 429 C ALA A 59 8.017 20.775 -5.652 1.00 1.77 C ATOM 430 O ALA A 59 7.312 21.523 -6.336 1.00 2.04 O ATOM 431 CB ALA A 59 9.892 21.031 -7.406 1.00 2.39 C ATOM 0 H ALA A 59 9.406 18.627 -7.330 1.00 1.74 H new ATOM 0 HA ALA A 59 10.080 20.626 -5.312 1.00 1.97 H new ATOM 0 HB1 ALA A 59 9.848 22.111 -7.268 1.00 2.39 H new ATOM 0 HB2 ALA A 59 10.918 20.735 -7.624 1.00 2.39 H new ATOM 0 HB3 ALA A 59 9.247 20.745 -8.237 1.00 2.39 H new ATOM 437 N VAL A 60 7.594 20.264 -4.494 1.00 1.51 N ATOM 438 CA VAL A 60 6.242 20.420 -3.925 1.00 1.37 C ATOM 439 C VAL A 60 6.269 21.195 -2.594 1.00 1.52 C ATOM 440 O VAL A 60 7.290 21.165 -1.891 1.00 1.71 O ATOM 441 CB VAL A 60 5.540 19.051 -3.771 1.00 1.14 C ATOM 442 CG1 VAL A 60 5.484 18.279 -5.095 1.00 1.24 C ATOM 443 CG2 VAL A 60 6.188 18.147 -2.714 1.00 1.08 C ATOM 0 H VAL A 60 8.205 19.706 -3.898 1.00 1.51 H new ATOM 0 HA VAL A 60 5.658 21.014 -4.628 1.00 1.37 H new ATOM 0 HB VAL A 60 4.531 19.300 -3.442 1.00 1.14 H new ATOM 0 HG11 VAL A 60 4.982 17.324 -4.938 1.00 1.24 H new ATOM 0 HG12 VAL A 60 4.933 18.862 -5.833 1.00 1.24 H new ATOM 0 HG13 VAL A 60 6.497 18.102 -5.456 1.00 1.24 H new ATOM 0 HG21 VAL A 60 5.644 17.204 -2.659 1.00 1.08 H new ATOM 0 HG22 VAL A 60 7.225 17.953 -2.988 1.00 1.08 H new ATOM 0 HG23 VAL A 60 6.155 18.641 -1.743 1.00 1.08 H new ATOM 453 N PRO A 61 5.174 21.874 -2.195 1.00 1.61 N ATOM 454 CA PRO A 61 5.063 22.512 -0.880 1.00 1.83 C ATOM 455 C PRO A 61 5.297 21.526 0.279 1.00 1.93 C ATOM 456 O PRO A 61 4.923 20.355 0.159 1.00 1.73 O ATOM 457 CB PRO A 61 3.647 23.093 -0.816 1.00 2.01 C ATOM 458 CG PRO A 61 3.325 23.357 -2.284 1.00 2.03 C ATOM 459 CD PRO A 61 3.982 22.168 -2.981 1.00 1.68 C ATOM 0 HA PRO A 61 5.830 23.278 -0.767 1.00 1.83 H new ATOM 0 HB2 PRO A 61 2.942 22.393 -0.367 1.00 2.01 H new ATOM 0 HB3 PRO A 61 3.611 24.007 -0.223 1.00 2.01 H new ATOM 0 HG2 PRO A 61 2.251 23.391 -2.465 1.00 2.03 H new ATOM 0 HG3 PRO A 61 3.736 24.307 -2.626 1.00 2.03 H new ATOM 0 HD2 PRO A 61 3.310 21.310 -3.013 1.00 1.68 H new ATOM 0 HD3 PRO A 61 4.240 22.410 -4.012 1.00 1.68 H new ATOM 467 N PRO A 62 5.863 21.957 1.423 1.00 2.36 N ATOM 468 CA PRO A 62 6.036 21.084 2.581 1.00 2.62 C ATOM 469 C PRO A 62 4.703 20.511 3.063 1.00 2.56 C ATOM 470 O PRO A 62 3.712 21.241 3.196 1.00 2.61 O ATOM 471 CB PRO A 62 6.734 21.923 3.652 1.00 3.16 C ATOM 472 CG PRO A 62 7.508 22.921 2.799 1.00 3.69 C ATOM 473 CD PRO A 62 6.530 23.225 1.667 1.00 2.79 C ATOM 0 HA PRO A 62 6.639 20.212 2.329 1.00 2.62 H new ATOM 0 HB2 PRO A 62 6.023 22.415 4.316 1.00 3.16 H new ATOM 0 HB3 PRO A 62 7.392 21.322 4.279 1.00 3.16 H new ATOM 0 HG2 PRO A 62 7.768 23.818 3.361 1.00 3.69 H new ATOM 0 HG3 PRO A 62 8.440 22.497 2.426 1.00 3.69 H new ATOM 0 HD2 PRO A 62 5.819 24.001 1.952 1.00 2.79 H new ATOM 0 HD3 PRO A 62 7.049 23.580 0.777 1.00 2.79 H new ATOM 481 N GLY A 63 4.671 19.201 3.303 1.00 2.58 N ATOM 482 CA GLY A 63 3.448 18.474 3.647 1.00 2.53 C ATOM 483 C GLY A 63 2.504 18.209 2.465 1.00 1.91 C ATOM 484 O GLY A 63 1.367 17.792 2.701 1.00 1.83 O ATOM 0 H GLY A 63 5.500 18.608 3.264 1.00 2.58 H new ATOM 0 HA2 GLY A 63 3.723 17.519 4.095 1.00 2.53 H new ATOM 0 HA3 GLY A 63 2.907 19.039 4.406 1.00 2.53 H new ATOM 488 N SER A 64 2.918 18.464 1.214 1.00 1.61 N ATOM 489 CA SER A 64 2.180 18.013 0.022 1.00 1.21 C ATOM 490 C SER A 64 2.493 16.534 -0.252 1.00 0.96 C ATOM 491 O SER A 64 3.633 16.140 -0.524 1.00 1.29 O ATOM 492 CB SER A 64 2.531 18.905 -1.177 1.00 1.26 C ATOM 493 OG SER A 64 1.765 18.606 -2.332 1.00 1.74 O ATOM 0 H SER A 64 3.768 18.985 1.000 1.00 1.61 H new ATOM 0 HA SER A 64 1.107 18.100 0.194 1.00 1.21 H new ATOM 0 HB2 SER A 64 2.375 19.949 -0.904 1.00 1.26 H new ATOM 0 HB3 SER A 64 3.590 18.791 -1.410 1.00 1.26 H new ATOM 0 HG SER A 64 2.028 19.204 -3.063 1.00 1.74 H new ATOM 499 N GLU A 65 1.464 15.688 -0.189 1.00 0.88 N ATOM 500 CA GLU A 65 1.602 14.222 -0.220 1.00 0.89 C ATOM 501 C GLU A 65 1.221 13.666 -1.603 1.00 0.90 C ATOM 502 O GLU A 65 0.271 12.896 -1.745 1.00 1.17 O ATOM 503 CB GLU A 65 0.842 13.562 0.955 1.00 1.18 C ATOM 504 CG GLU A 65 1.258 14.126 2.324 1.00 1.24 C ATOM 505 CD GLU A 65 0.841 13.224 3.494 1.00 1.31 C ATOM 506 OE1 GLU A 65 -0.323 13.293 3.959 1.00 2.20 O ATOM 507 OE2 GLU A 65 1.716 12.499 4.021 1.00 1.98 O ATOM 0 H GLU A 65 0.496 16.001 -0.114 1.00 0.88 H new ATOM 0 HA GLU A 65 2.650 13.961 -0.071 1.00 0.89 H new ATOM 0 HB2 GLU A 65 -0.229 13.708 0.817 1.00 1.18 H new ATOM 0 HB3 GLU A 65 1.021 12.487 0.940 1.00 1.18 H new ATOM 0 HG2 GLU A 65 2.340 14.260 2.343 1.00 1.24 H new ATOM 0 HG3 GLU A 65 0.813 15.112 2.456 1.00 1.24 H new ATOM 514 N THR A 66 1.924 14.092 -2.660 1.00 0.78 N ATOM 515 CA THR A 66 1.626 13.728 -4.051 1.00 0.88 C ATOM 516 C THR A 66 2.043 12.300 -4.392 1.00 0.78 C ATOM 517 O THR A 66 1.503 11.721 -5.331 1.00 0.91 O ATOM 518 CB THR A 66 2.384 14.657 -5.015 1.00 0.94 C ATOM 519 OG1 THR A 66 3.752 14.630 -4.670 1.00 1.27 O ATOM 520 CG2 THR A 66 1.943 16.115 -4.929 1.00 0.99 C ATOM 0 H THR A 66 2.730 14.710 -2.571 1.00 0.78 H new ATOM 0 HA THR A 66 0.545 13.822 -4.159 1.00 0.88 H new ATOM 0 HB THR A 66 2.180 14.295 -6.023 1.00 0.94 H new ATOM 0 HG1 THR A 66 4.254 15.216 -5.275 1.00 1.27 H new ATOM 0 HG21 THR A 66 2.519 16.712 -5.636 1.00 0.99 H new ATOM 0 HG22 THR A 66 0.883 16.189 -5.171 1.00 0.99 H new ATOM 0 HG23 THR A 66 2.111 16.487 -3.918 1.00 0.99 H new ATOM 528 N HIS A 67 3.019 11.754 -3.663 1.00 0.62 N ATOM 529 CA HIS A 67 3.892 10.684 -4.136 1.00 0.56 C ATOM 530 C HIS A 67 4.139 9.655 -3.036 1.00 0.52 C ATOM 531 O HIS A 67 4.620 10.023 -1.959 1.00 0.54 O ATOM 532 CB HIS A 67 5.214 11.326 -4.577 1.00 0.57 C ATOM 533 CG HIS A 67 5.598 10.990 -5.982 1.00 0.74 C ATOM 534 ND1 HIS A 67 6.648 10.244 -6.467 1.00 0.97 N ATOM 535 CD2 HIS A 67 4.908 11.472 -7.049 1.00 0.89 C ATOM 536 CE1 HIS A 67 6.611 10.325 -7.810 1.00 1.17 C ATOM 537 NE2 HIS A 67 5.574 11.080 -8.218 1.00 1.11 N ATOM 0 H HIS A 67 3.226 12.051 -2.709 1.00 0.62 H new ATOM 0 HA HIS A 67 3.424 10.159 -4.969 1.00 0.56 H new ATOM 0 HB2 HIS A 67 5.134 12.409 -4.479 1.00 0.57 H new ATOM 0 HB3 HIS A 67 6.008 11.003 -3.904 1.00 0.57 H new ATOM 0 HD1 HIS A 67 7.328 9.726 -5.911 1.00 0.97 H new ATOM 0 HD2 HIS A 67 4.001 12.057 -7.004 1.00 0.89 H new ATOM 0 HE1 HIS A 67 7.319 9.848 -8.472 1.00 1.17 H new ATOM 545 N PHE A 68 3.840 8.378 -3.287 1.00 0.54 N ATOM 546 CA PHE A 68 3.695 7.408 -2.192 1.00 0.59 C ATOM 547 C PHE A 68 4.273 5.997 -2.454 1.00 0.58 C ATOM 548 O PHE A 68 4.332 5.531 -3.596 1.00 0.62 O ATOM 549 CB PHE A 68 2.208 7.420 -1.776 1.00 0.74 C ATOM 550 CG PHE A 68 1.922 6.801 -0.427 1.00 0.80 C ATOM 551 CD1 PHE A 68 2.559 7.288 0.732 1.00 1.69 C ATOM 552 CD2 PHE A 68 0.977 5.769 -0.323 1.00 2.03 C ATOM 553 CE1 PHE A 68 2.284 6.728 1.993 1.00 1.79 C ATOM 554 CE2 PHE A 68 0.684 5.225 0.933 1.00 2.37 C ATOM 555 CZ PHE A 68 1.341 5.695 2.082 1.00 1.58 C ATOM 0 H PHE A 68 3.695 7.994 -4.221 1.00 0.54 H new ATOM 0 HA PHE A 68 4.327 7.723 -1.362 1.00 0.59 H new ATOM 0 HB2 PHE A 68 1.856 8.451 -1.769 1.00 0.74 H new ATOM 0 HB3 PHE A 68 1.629 6.891 -2.533 1.00 0.74 H new ATOM 0 HD1 PHE A 68 3.266 8.100 0.651 1.00 1.69 H new ATOM 0 HD2 PHE A 68 0.479 5.397 -1.206 1.00 2.03 H new ATOM 0 HE1 PHE A 68 2.790 7.088 2.876 1.00 1.79 H new ATOM 0 HE2 PHE A 68 -0.052 4.439 1.019 1.00 2.37 H new ATOM 0 HZ PHE A 68 1.117 5.256 3.043 1.00 1.58 H new ATOM 565 N ARG A 69 4.723 5.310 -1.391 1.00 0.66 N ATOM 566 CA ARG A 69 5.279 3.943 -1.416 1.00 0.66 C ATOM 567 C ARG A 69 4.778 3.105 -0.246 1.00 0.68 C ATOM 568 O ARG A 69 4.757 3.572 0.891 1.00 0.85 O ATOM 569 CB ARG A 69 6.818 3.979 -1.389 1.00 0.78 C ATOM 570 CG ARG A 69 7.418 3.949 -2.798 1.00 1.47 C ATOM 571 CD ARG A 69 7.449 2.574 -3.489 1.00 1.30 C ATOM 572 NE ARG A 69 8.113 1.511 -2.713 1.00 2.64 N ATOM 573 CZ ARG A 69 9.385 1.414 -2.372 1.00 3.58 C ATOM 574 NH1 ARG A 69 10.277 2.295 -2.722 1.00 3.94 N ATOM 575 NH2 ARG A 69 9.779 0.397 -1.665 1.00 5.03 N ATOM 0 H ARG A 69 4.710 5.706 -0.451 1.00 0.66 H new ATOM 0 HA ARG A 69 4.939 3.481 -2.343 1.00 0.66 H new ATOM 0 HB2 ARG A 69 7.150 4.880 -0.873 1.00 0.78 H new ATOM 0 HB3 ARG A 69 7.190 3.128 -0.818 1.00 0.78 H new ATOM 0 HG2 ARG A 69 6.853 4.637 -3.427 1.00 1.47 H new ATOM 0 HG3 ARG A 69 8.438 4.330 -2.745 1.00 1.47 H new ATOM 0 HD2 ARG A 69 6.425 2.265 -3.701 1.00 1.30 H new ATOM 0 HD3 ARG A 69 7.956 2.676 -4.448 1.00 1.30 H new ATOM 0 HE ARG A 69 7.511 0.750 -2.398 1.00 2.64 H new ATOM 0 HH11 ARG A 69 10.004 3.102 -3.283 1.00 3.94 H new ATOM 0 HH12 ARG A 69 11.249 2.178 -2.435 1.00 3.94 H new ATOM 0 HH21 ARG A 69 9.108 -0.316 -1.379 1.00 5.03 H new ATOM 0 HH22 ARG A 69 10.759 0.312 -1.396 1.00 5.03 H new ATOM 589 N VAL A 70 4.420 1.854 -0.526 1.00 0.55 N ATOM 590 CA VAL A 70 3.905 0.914 0.503 1.00 0.51 C ATOM 591 C VAL A 70 4.478 -0.493 0.370 1.00 0.51 C ATOM 592 O VAL A 70 4.510 -1.046 -0.726 1.00 0.53 O ATOM 593 CB VAL A 70 2.361 0.795 0.495 1.00 0.52 C ATOM 594 CG1 VAL A 70 1.807 0.271 1.831 1.00 0.64 C ATOM 595 CG2 VAL A 70 1.646 2.123 0.220 1.00 0.61 C ATOM 0 H VAL A 70 4.473 1.452 -1.462 1.00 0.55 H new ATOM 0 HA VAL A 70 4.234 1.354 1.444 1.00 0.51 H new ATOM 0 HB VAL A 70 2.162 0.093 -0.314 1.00 0.52 H new ATOM 0 HG11 VAL A 70 0.720 0.206 1.774 1.00 0.64 H new ATOM 0 HG12 VAL A 70 2.220 -0.717 2.033 1.00 0.64 H new ATOM 0 HG13 VAL A 70 2.088 0.953 2.634 1.00 0.64 H new ATOM 0 HG21 VAL A 70 0.568 1.964 0.229 1.00 0.61 H new ATOM 0 HG22 VAL A 70 1.913 2.846 0.990 1.00 0.61 H new ATOM 0 HG23 VAL A 70 1.948 2.504 -0.756 1.00 0.61 H new ATOM 605 N ALA A 71 4.802 -1.122 1.500 1.00 0.54 N ATOM 606 CA ALA A 71 4.962 -2.575 1.591 1.00 0.55 C ATOM 607 C ALA A 71 3.778 -3.174 2.360 1.00 0.49 C ATOM 608 O ALA A 71 3.547 -2.809 3.517 1.00 0.51 O ATOM 609 CB ALA A 71 6.302 -2.937 2.251 1.00 0.73 C ATOM 0 H ALA A 71 4.962 -0.636 2.383 1.00 0.54 H new ATOM 0 HA ALA A 71 4.973 -2.998 0.587 1.00 0.55 H new ATOM 0 HB1 ALA A 71 6.398 -4.021 2.308 1.00 0.73 H new ATOM 0 HB2 ALA A 71 7.121 -2.530 1.658 1.00 0.73 H new ATOM 0 HB3 ALA A 71 6.338 -2.517 3.256 1.00 0.73 H new ATOM 615 N VAL A 72 3.043 -4.095 1.729 1.00 0.54 N ATOM 616 CA VAL A 72 1.896 -4.785 2.334 1.00 0.54 C ATOM 617 C VAL A 72 2.058 -6.295 2.216 1.00 0.60 C ATOM 618 O VAL A 72 2.478 -6.828 1.186 1.00 0.78 O ATOM 619 CB VAL A 72 0.523 -4.331 1.787 1.00 0.57 C ATOM 620 CG1 VAL A 72 0.330 -2.821 1.927 1.00 1.38 C ATOM 621 CG2 VAL A 72 0.247 -4.687 0.320 1.00 1.56 C ATOM 0 H VAL A 72 3.230 -4.387 0.770 1.00 0.54 H new ATOM 0 HA VAL A 72 1.897 -4.501 3.386 1.00 0.54 H new ATOM 0 HB VAL A 72 -0.181 -4.890 2.404 1.00 0.57 H new ATOM 0 HG11 VAL A 72 -0.646 -2.541 1.532 1.00 1.38 H new ATOM 0 HG12 VAL A 72 0.389 -2.543 2.979 1.00 1.38 H new ATOM 0 HG13 VAL A 72 1.110 -2.301 1.370 1.00 1.38 H new ATOM 0 HG21 VAL A 72 -0.741 -4.324 0.037 1.00 1.56 H new ATOM 0 HG22 VAL A 72 1.000 -4.221 -0.315 1.00 1.56 H new ATOM 0 HG23 VAL A 72 0.285 -5.769 0.195 1.00 1.56 H new ATOM 631 N VAL A 73 1.716 -7.008 3.281 1.00 0.57 N ATOM 632 CA VAL A 73 1.809 -8.470 3.321 1.00 0.63 C ATOM 633 C VAL A 73 0.609 -9.023 4.060 1.00 0.67 C ATOM 634 O VAL A 73 0.289 -8.515 5.138 1.00 0.69 O ATOM 635 CB VAL A 73 3.175 -8.904 3.896 1.00 0.79 C ATOM 636 CG1 VAL A 73 3.162 -9.711 5.189 1.00 0.84 C ATOM 637 CG2 VAL A 73 4.044 -9.600 2.869 1.00 1.56 C ATOM 0 H VAL A 73 1.366 -6.593 4.144 1.00 0.57 H new ATOM 0 HA VAL A 73 1.775 -8.893 2.317 1.00 0.63 H new ATOM 0 HB VAL A 73 3.609 -7.942 4.170 1.00 0.79 H new ATOM 0 HG11 VAL A 73 4.185 -9.949 5.480 1.00 0.84 H new ATOM 0 HG12 VAL A 73 2.687 -9.127 5.977 1.00 0.84 H new ATOM 0 HG13 VAL A 73 2.604 -10.635 5.036 1.00 0.84 H new ATOM 0 HG21 VAL A 73 4.992 -9.883 3.327 1.00 1.56 H new ATOM 0 HG22 VAL A 73 3.535 -10.493 2.506 1.00 1.56 H new ATOM 0 HG23 VAL A 73 4.232 -8.925 2.034 1.00 1.56 H new ATOM 647 N SER A 74 -0.057 -10.017 3.463 1.00 0.72 N ATOM 648 CA SER A 74 -1.279 -10.628 4.021 1.00 0.75 C ATOM 649 C SER A 74 -1.501 -12.045 3.493 1.00 0.84 C ATOM 650 O SER A 74 -1.204 -12.337 2.333 1.00 0.86 O ATOM 651 CB SER A 74 -2.522 -9.787 3.685 1.00 0.73 C ATOM 652 OG SER A 74 -3.671 -10.357 4.294 1.00 0.74 O ATOM 0 H SER A 74 0.234 -10.426 2.575 1.00 0.72 H new ATOM 0 HA SER A 74 -1.135 -10.667 5.101 1.00 0.75 H new ATOM 0 HB2 SER A 74 -2.385 -8.764 4.034 1.00 0.73 H new ATOM 0 HB3 SER A 74 -2.658 -9.739 2.605 1.00 0.73 H new ATOM 0 HG SER A 74 -3.824 -9.933 5.164 1.00 0.74 H new ATOM 658 N SER A 75 -2.075 -12.917 4.321 1.00 0.94 N ATOM 659 CA SER A 75 -2.529 -14.254 3.902 1.00 1.08 C ATOM 660 C SER A 75 -3.632 -14.206 2.837 1.00 1.13 C ATOM 661 O SER A 75 -3.730 -15.107 1.999 1.00 1.43 O ATOM 662 CB SER A 75 -2.991 -15.053 5.122 1.00 1.21 C ATOM 663 OG SER A 75 -3.823 -14.288 5.976 1.00 1.54 O ATOM 0 H SER A 75 -2.242 -12.720 5.308 1.00 0.94 H new ATOM 0 HA SER A 75 -1.677 -14.752 3.439 1.00 1.08 H new ATOM 0 HB2 SER A 75 -3.530 -15.940 4.791 1.00 1.21 H new ATOM 0 HB3 SER A 75 -2.120 -15.399 5.679 1.00 1.21 H new ATOM 0 HG SER A 75 -4.097 -14.835 6.741 1.00 1.54 H new ATOM 669 N ARG A 76 -4.384 -13.098 2.770 1.00 0.95 N ATOM 670 CA ARG A 76 -5.421 -12.837 1.752 1.00 0.98 C ATOM 671 C ARG A 76 -4.882 -12.709 0.314 1.00 0.92 C ATOM 672 O ARG A 76 -5.666 -12.654 -0.633 1.00 1.00 O ATOM 673 CB ARG A 76 -6.277 -11.644 2.209 1.00 0.97 C ATOM 674 CG ARG A 76 -7.593 -11.533 1.421 1.00 1.97 C ATOM 675 CD ARG A 76 -8.635 -10.730 2.202 1.00 1.76 C ATOM 676 NE ARG A 76 -9.815 -10.430 1.373 1.00 3.11 N ATOM 677 CZ ARG A 76 -10.868 -11.188 1.140 1.00 4.01 C ATOM 678 NH1 ARG A 76 -11.066 -12.370 1.647 1.00 4.29 N ATOM 679 NH2 ARG A 76 -11.795 -10.747 0.355 1.00 5.32 N ATOM 0 H ARG A 76 -4.288 -12.335 3.440 1.00 0.95 H new ATOM 0 HA ARG A 76 -6.060 -13.717 1.683 1.00 0.98 H new ATOM 0 HB2 ARG A 76 -6.500 -11.745 3.271 1.00 0.97 H new ATOM 0 HB3 ARG A 76 -5.706 -10.723 2.090 1.00 0.97 H new ATOM 0 HG2 ARG A 76 -7.406 -11.054 0.460 1.00 1.97 H new ATOM 0 HG3 ARG A 76 -7.980 -12.530 1.211 1.00 1.97 H new ATOM 0 HD2 ARG A 76 -8.942 -11.291 3.085 1.00 1.76 H new ATOM 0 HD3 ARG A 76 -8.190 -9.799 2.554 1.00 1.76 H new ATOM 0 HE ARG A 76 -9.818 -9.516 0.920 1.00 3.11 H new ATOM 0 HH11 ARG A 76 -10.376 -12.776 2.278 1.00 4.29 H new ATOM 0 HH12 ARG A 76 -11.912 -12.890 1.413 1.00 4.29 H new ATOM 0 HH21 ARG A 76 -11.705 -9.826 -0.073 1.00 5.32 H new ATOM 0 HH22 ARG A 76 -12.617 -11.320 0.164 1.00 5.32 H new ATOM 693 N PHE A 77 -3.557 -12.695 0.132 1.00 0.90 N ATOM 694 CA PHE A 77 -2.879 -12.616 -1.154 1.00 0.90 C ATOM 695 C PHE A 77 -2.267 -13.953 -1.619 1.00 0.94 C ATOM 696 O PHE A 77 -1.561 -13.966 -2.629 1.00 1.01 O ATOM 697 CB PHE A 77 -1.827 -11.505 -1.055 1.00 0.82 C ATOM 698 CG PHE A 77 -2.311 -10.120 -0.640 1.00 0.79 C ATOM 699 CD1 PHE A 77 -3.573 -9.627 -1.038 1.00 2.40 C ATOM 700 CD2 PHE A 77 -1.468 -9.301 0.135 1.00 2.03 C ATOM 701 CE1 PHE A 77 -3.987 -8.343 -0.641 1.00 2.50 C ATOM 702 CE2 PHE A 77 -1.879 -8.017 0.530 1.00 1.99 C ATOM 703 CZ PHE A 77 -3.143 -7.538 0.144 1.00 0.96 C ATOM 0 H PHE A 77 -2.905 -12.741 0.915 1.00 0.90 H new ATOM 0 HA PHE A 77 -3.614 -12.382 -1.924 1.00 0.90 H new ATOM 0 HB2 PHE A 77 -1.066 -11.824 -0.343 1.00 0.82 H new ATOM 0 HB3 PHE A 77 -1.339 -11.415 -2.025 1.00 0.82 H new ATOM 0 HD1 PHE A 77 -4.222 -10.237 -1.649 1.00 2.40 H new ATOM 0 HD2 PHE A 77 -0.494 -9.664 0.429 1.00 2.03 H new ATOM 0 HE1 PHE A 77 -4.957 -7.974 -0.940 1.00 2.50 H new ATOM 0 HE2 PHE A 77 -1.226 -7.400 1.129 1.00 1.99 H new ATOM 0 HZ PHE A 77 -3.465 -6.554 0.450 1.00 0.96 H new ATOM 713 N GLU A 78 -2.500 -15.074 -0.923 1.00 1.03 N ATOM 714 CA GLU A 78 -2.173 -16.402 -1.440 1.00 1.11 C ATOM 715 C GLU A 78 -3.231 -16.967 -2.408 1.00 1.07 C ATOM 716 O GLU A 78 -4.423 -16.664 -2.284 1.00 1.16 O ATOM 717 CB GLU A 78 -1.835 -17.369 -0.290 1.00 1.39 C ATOM 718 CG GLU A 78 -3.010 -18.163 0.305 1.00 1.77 C ATOM 719 CD GLU A 78 -2.526 -19.285 1.229 1.00 2.20 C ATOM 720 OE1 GLU A 78 -2.161 -20.376 0.725 1.00 3.72 O ATOM 721 OE2 GLU A 78 -2.560 -19.106 2.470 1.00 1.68 O ATOM 0 H GLU A 78 -2.918 -15.082 0.008 1.00 1.03 H new ATOM 0 HA GLU A 78 -1.278 -16.290 -2.052 1.00 1.11 H new ATOM 0 HB2 GLU A 78 -1.090 -18.079 -0.649 1.00 1.39 H new ATOM 0 HB3 GLU A 78 -1.369 -16.796 0.512 1.00 1.39 H new ATOM 0 HG2 GLU A 78 -3.660 -17.488 0.862 1.00 1.77 H new ATOM 0 HG3 GLU A 78 -3.607 -18.588 -0.502 1.00 1.77 H new ATOM 728 N GLY A 79 -2.800 -17.847 -3.317 1.00 1.20 N ATOM 729 CA GLY A 79 -3.671 -18.669 -4.176 1.00 1.37 C ATOM 730 C GLY A 79 -3.903 -18.144 -5.599 1.00 1.31 C ATOM 731 O GLY A 79 -4.729 -18.698 -6.321 1.00 1.82 O ATOM 0 H GLY A 79 -1.808 -18.015 -3.484 1.00 1.20 H new ATOM 0 HA2 GLY A 79 -3.241 -19.668 -4.245 1.00 1.37 H new ATOM 0 HA3 GLY A 79 -4.639 -18.771 -3.686 1.00 1.37 H new ATOM 735 N LEU A 80 -3.229 -17.064 -5.999 1.00 1.07 N ATOM 736 CA LEU A 80 -3.416 -16.317 -7.234 1.00 1.19 C ATOM 737 C LEU A 80 -2.089 -15.668 -7.691 1.00 0.99 C ATOM 738 O LEU A 80 -1.154 -15.517 -6.901 1.00 1.01 O ATOM 739 CB LEU A 80 -4.525 -15.274 -6.996 1.00 1.59 C ATOM 740 CG LEU A 80 -4.674 -14.621 -5.626 1.00 1.16 C ATOM 741 CD1 LEU A 80 -3.396 -13.961 -5.121 1.00 1.65 C ATOM 742 CD2 LEU A 80 -5.773 -13.561 -5.623 1.00 1.51 C ATOM 0 H LEU A 80 -2.487 -16.664 -5.424 1.00 1.07 H new ATOM 0 HA LEU A 80 -3.721 -16.983 -8.041 1.00 1.19 H new ATOM 0 HB2 LEU A 80 -4.380 -14.474 -7.723 1.00 1.59 H new ATOM 0 HB3 LEU A 80 -5.476 -15.751 -7.233 1.00 1.59 H new ATOM 0 HG LEU A 80 -4.929 -15.445 -4.960 1.00 1.16 H new ATOM 0 HD11 LEU A 80 -3.578 -13.518 -4.142 1.00 1.65 H new ATOM 0 HD12 LEU A 80 -2.608 -14.709 -5.040 1.00 1.65 H new ATOM 0 HD13 LEU A 80 -3.088 -13.183 -5.820 1.00 1.65 H new ATOM 0 HD21 LEU A 80 -5.849 -13.118 -4.630 1.00 1.51 H new ATOM 0 HD22 LEU A 80 -5.531 -12.784 -6.349 1.00 1.51 H new ATOM 0 HD23 LEU A 80 -6.724 -14.022 -5.888 1.00 1.51 H new ATOM 754 N SER A 81 -2.015 -15.261 -8.960 1.00 0.99 N ATOM 755 CA SER A 81 -0.869 -14.574 -9.583 1.00 1.06 C ATOM 756 C SER A 81 -0.473 -13.260 -8.873 1.00 0.98 C ATOM 757 O SER A 81 -1.353 -12.546 -8.376 1.00 0.86 O ATOM 758 CB SER A 81 -1.244 -14.283 -11.044 1.00 1.21 C ATOM 759 OG SER A 81 -0.418 -13.324 -11.684 1.00 1.73 O ATOM 0 H SER A 81 -2.784 -15.405 -9.615 1.00 0.99 H new ATOM 0 HA SER A 81 0.001 -15.226 -9.505 1.00 1.06 H new ATOM 0 HB2 SER A 81 -1.202 -15.214 -11.609 1.00 1.21 H new ATOM 0 HB3 SER A 81 -2.276 -13.935 -11.078 1.00 1.21 H new ATOM 0 HG SER A 81 -0.720 -13.197 -12.608 1.00 1.73 H new ATOM 765 N PRO A 82 0.819 -12.857 -8.895 1.00 1.14 N ATOM 766 CA PRO A 82 1.290 -11.550 -8.428 1.00 1.16 C ATOM 767 C PRO A 82 0.511 -10.366 -9.018 1.00 1.03 C ATOM 768 O PRO A 82 0.074 -9.483 -8.278 1.00 0.94 O ATOM 769 CB PRO A 82 2.770 -11.488 -8.813 1.00 1.47 C ATOM 770 CG PRO A 82 3.190 -12.950 -8.744 1.00 1.51 C ATOM 771 CD PRO A 82 1.961 -13.657 -9.313 1.00 1.40 C ATOM 0 HA PRO A 82 1.134 -11.460 -7.353 1.00 1.16 H new ATOM 0 HB2 PRO A 82 2.913 -11.071 -9.810 1.00 1.47 H new ATOM 0 HB3 PRO A 82 3.343 -10.868 -8.123 1.00 1.47 H new ATOM 0 HG2 PRO A 82 4.085 -13.146 -9.335 1.00 1.51 H new ATOM 0 HG3 PRO A 82 3.407 -13.265 -7.723 1.00 1.51 H new ATOM 0 HD2 PRO A 82 2.016 -13.724 -10.400 1.00 1.40 H new ATOM 0 HD3 PRO A 82 1.885 -14.676 -8.934 1.00 1.40 H new ATOM 779 N LEU A 83 0.242 -10.375 -10.330 1.00 1.15 N ATOM 780 CA LEU A 83 -0.567 -9.334 -10.975 1.00 1.21 C ATOM 781 C LEU A 83 -2.042 -9.381 -10.535 1.00 1.12 C ATOM 782 O LEU A 83 -2.681 -8.331 -10.518 1.00 1.14 O ATOM 783 CB LEU A 83 -0.437 -9.411 -12.508 1.00 1.53 C ATOM 784 CG LEU A 83 0.925 -8.999 -13.093 1.00 1.95 C ATOM 785 CD1 LEU A 83 0.875 -9.146 -14.615 1.00 2.76 C ATOM 786 CD2 LEU A 83 1.304 -7.550 -12.773 1.00 3.06 C ATOM 0 H LEU A 83 0.576 -11.097 -10.969 1.00 1.15 H new ATOM 0 HA LEU A 83 -0.174 -8.372 -10.646 1.00 1.21 H new ATOM 0 HB2 LEU A 83 -0.649 -10.434 -12.819 1.00 1.53 H new ATOM 0 HB3 LEU A 83 -1.206 -8.777 -12.950 1.00 1.53 H new ATOM 0 HG LEU A 83 1.674 -9.649 -12.640 1.00 1.95 H new ATOM 0 HD11 LEU A 83 1.836 -8.856 -15.040 1.00 2.76 H new ATOM 0 HD12 LEU A 83 0.662 -10.183 -14.874 1.00 2.76 H new ATOM 0 HD13 LEU A 83 0.092 -8.503 -15.017 1.00 2.76 H new ATOM 0 HD21 LEU A 83 2.275 -7.322 -13.214 1.00 3.06 H new ATOM 0 HD22 LEU A 83 0.551 -6.878 -13.185 1.00 3.06 H new ATOM 0 HD23 LEU A 83 1.356 -7.418 -11.692 1.00 3.06 H new ATOM 798 N GLN A 84 -2.559 -10.544 -10.112 1.00 1.13 N ATOM 799 CA GLN A 84 -3.936 -10.721 -9.632 1.00 1.17 C ATOM 800 C GLN A 84 -4.122 -10.299 -8.158 1.00 1.23 C ATOM 801 O GLN A 84 -5.184 -9.771 -7.821 1.00 1.57 O ATOM 802 CB GLN A 84 -4.420 -12.154 -9.928 1.00 1.09 C ATOM 803 CG GLN A 84 -5.943 -12.325 -9.759 1.00 1.11 C ATOM 804 CD GLN A 84 -6.505 -13.456 -10.622 1.00 1.77 C ATOM 805 OE1 GLN A 84 -6.693 -13.307 -11.824 1.00 3.19 O ATOM 806 NE2 GLN A 84 -6.800 -14.613 -10.077 1.00 1.45 N ATOM 0 H GLN A 84 -2.017 -11.408 -10.094 1.00 1.13 H new ATOM 0 HA GLN A 84 -4.578 -10.037 -10.188 1.00 1.17 H new ATOM 0 HB2 GLN A 84 -4.141 -12.422 -10.947 1.00 1.09 H new ATOM 0 HB3 GLN A 84 -3.906 -12.849 -9.264 1.00 1.09 H new ATOM 0 HG2 GLN A 84 -6.169 -12.525 -8.712 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -6.441 -11.391 -10.020 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -6.652 -14.759 -9.078 1.00 1.45 H new ATOM 0 HE22 GLN A 84 -7.178 -15.366 -10.652 1.00 1.45 H new ATOM 815 N ARG A 85 -3.100 -10.423 -7.288 1.00 1.03 N ATOM 816 CA ARG A 85 -3.099 -9.782 -5.945 1.00 1.10 C ATOM 817 C ARG A 85 -2.891 -8.266 -6.019 1.00 1.11 C ATOM 818 O ARG A 85 -3.601 -7.526 -5.342 1.00 1.27 O ATOM 819 CB ARG A 85 -2.107 -10.436 -4.957 1.00 1.14 C ATOM 820 CG ARG A 85 -0.660 -10.480 -5.460 1.00 1.42 C ATOM 821 CD ARG A 85 0.361 -10.972 -4.428 1.00 2.55 C ATOM 822 NE ARG A 85 0.301 -12.430 -4.195 1.00 3.73 N ATOM 823 CZ ARG A 85 1.301 -13.296 -4.219 1.00 5.15 C ATOM 824 NH1 ARG A 85 2.530 -12.985 -4.518 1.00 5.91 N ATOM 825 NH2 ARG A 85 1.063 -14.531 -3.897 1.00 6.41 N ATOM 0 H ARG A 85 -2.258 -10.963 -7.487 1.00 1.03 H new ATOM 0 HA ARG A 85 -4.098 -9.956 -5.545 1.00 1.10 H new ATOM 0 HB2 ARG A 85 -2.136 -9.889 -4.014 1.00 1.14 H new ATOM 0 HB3 ARG A 85 -2.438 -11.453 -4.746 1.00 1.14 H new ATOM 0 HG2 ARG A 85 -0.613 -11.128 -6.335 1.00 1.42 H new ATOM 0 HG3 ARG A 85 -0.373 -9.481 -5.788 1.00 1.42 H new ATOM 0 HD2 ARG A 85 1.363 -10.706 -4.763 1.00 2.55 H new ATOM 0 HD3 ARG A 85 0.192 -10.453 -3.484 1.00 2.55 H new ATOM 0 HE ARG A 85 -0.621 -12.815 -3.991 1.00 3.73 H new ATOM 0 HH11 ARG A 85 2.770 -12.022 -4.753 1.00 5.91 H new ATOM 0 HH12 ARG A 85 3.253 -13.705 -4.517 1.00 5.91 H new ATOM 0 HH21 ARG A 85 0.120 -14.816 -3.633 1.00 6.41 H new ATOM 0 HH22 ARG A 85 1.819 -15.216 -3.909 1.00 6.41 H new ATOM 839 N HIS A 86 -1.985 -7.795 -6.882 1.00 0.96 N ATOM 840 CA HIS A 86 -1.840 -6.373 -7.201 1.00 0.91 C ATOM 841 C HIS A 86 -3.179 -5.809 -7.713 1.00 1.17 C ATOM 842 O HIS A 86 -3.703 -4.876 -7.114 1.00 1.28 O ATOM 843 CB HIS A 86 -0.691 -6.199 -8.209 1.00 0.87 C ATOM 844 CG HIS A 86 0.677 -6.046 -7.581 1.00 0.78 C ATOM 845 ND1 HIS A 86 1.538 -4.984 -7.749 1.00 0.85 N ATOM 846 CD2 HIS A 86 1.323 -6.949 -6.782 1.00 1.03 C ATOM 847 CE1 HIS A 86 2.652 -5.222 -7.037 1.00 0.87 C ATOM 848 NE2 HIS A 86 2.584 -6.434 -6.457 1.00 1.08 N ATOM 0 H HIS A 86 -1.328 -8.394 -7.381 1.00 0.96 H new ATOM 0 HA HIS A 86 -1.583 -5.803 -6.308 1.00 0.91 H new ATOM 0 HB2 HIS A 86 -0.676 -7.061 -8.876 1.00 0.87 H new ATOM 0 HB3 HIS A 86 -0.894 -5.323 -8.825 1.00 0.87 H new ATOM 0 HD2 HIS A 86 0.927 -7.900 -6.456 1.00 1.03 H new ATOM 0 HE1 HIS A 86 3.483 -4.538 -6.944 1.00 0.87 H new ATOM 0 HE2 HIS A 86 3.305 -6.886 -5.895 1.00 1.08 H new ATOM 856 N ARG A 87 -3.819 -6.458 -8.700 1.00 1.36 N ATOM 857 CA ARG A 87 -5.181 -6.135 -9.175 1.00 1.72 C ATOM 858 C ARG A 87 -6.223 -6.136 -8.054 1.00 1.88 C ATOM 859 O ARG A 87 -7.023 -5.206 -8.010 1.00 2.06 O ATOM 860 CB ARG A 87 -5.564 -7.089 -10.321 1.00 1.92 C ATOM 861 CG ARG A 87 -7.040 -7.014 -10.742 1.00 3.39 C ATOM 862 CD ARG A 87 -7.271 -7.698 -12.095 1.00 3.62 C ATOM 863 NE ARG A 87 -7.066 -6.750 -13.203 1.00 3.17 N ATOM 864 CZ ARG A 87 -6.152 -6.761 -14.152 1.00 3.24 C ATOM 865 NH1 ARG A 87 -5.247 -7.690 -14.275 1.00 3.92 N ATOM 866 NH2 ARG A 87 -6.160 -5.788 -15.011 1.00 3.71 N ATOM 0 H ARG A 87 -3.398 -7.239 -9.203 1.00 1.36 H new ATOM 0 HA ARG A 87 -5.171 -5.112 -9.552 1.00 1.72 H new ATOM 0 HB2 ARG A 87 -4.940 -6.867 -11.187 1.00 1.92 H new ATOM 0 HB3 ARG A 87 -5.337 -8.111 -10.018 1.00 1.92 H new ATOM 0 HG2 ARG A 87 -7.661 -7.488 -9.982 1.00 3.39 H new ATOM 0 HG3 ARG A 87 -7.350 -5.971 -10.802 1.00 3.39 H new ATOM 0 HD2 ARG A 87 -6.589 -8.542 -12.202 1.00 3.62 H new ATOM 0 HD3 ARG A 87 -8.284 -8.099 -12.136 1.00 3.62 H new ATOM 0 HE ARG A 87 -7.726 -5.973 -13.241 1.00 3.17 H new ATOM 0 HH11 ARG A 87 -5.220 -8.466 -13.614 1.00 3.92 H new ATOM 0 HH12 ARG A 87 -4.566 -7.641 -15.033 1.00 3.92 H new ATOM 0 HH21 ARG A 87 -6.859 -5.048 -14.937 1.00 3.71 H new ATOM 0 HH22 ARG A 87 -5.468 -5.763 -15.760 1.00 3.71 H new ATOM 880 N LEU A 88 -6.195 -7.102 -7.130 1.00 1.86 N ATOM 881 CA LEU A 88 -7.077 -7.118 -5.951 1.00 2.09 C ATOM 882 C LEU A 88 -6.936 -5.803 -5.167 1.00 1.96 C ATOM 883 O LEU A 88 -7.910 -5.073 -5.006 1.00 2.07 O ATOM 884 CB LEU A 88 -6.769 -8.360 -5.082 1.00 2.18 C ATOM 885 CG LEU A 88 -7.902 -8.839 -4.153 1.00 2.89 C ATOM 886 CD1 LEU A 88 -7.457 -10.127 -3.454 1.00 3.48 C ATOM 887 CD2 LEU A 88 -8.272 -7.834 -3.061 1.00 3.75 C ATOM 0 H LEU A 88 -5.559 -7.898 -7.176 1.00 1.86 H new ATOM 0 HA LEU A 88 -8.117 -7.192 -6.268 1.00 2.09 H new ATOM 0 HB2 LEU A 88 -6.498 -9.183 -5.744 1.00 2.18 H new ATOM 0 HB3 LEU A 88 -5.894 -8.142 -4.470 1.00 2.18 H new ATOM 0 HG LEU A 88 -8.777 -8.981 -4.787 1.00 2.89 H new ATOM 0 HD11 LEU A 88 -8.251 -10.476 -2.794 1.00 3.48 H new ATOM 0 HD12 LEU A 88 -7.245 -10.892 -4.201 1.00 3.48 H new ATOM 0 HD13 LEU A 88 -6.558 -9.932 -2.869 1.00 3.48 H new ATOM 0 HD21 LEU A 88 -9.076 -8.242 -2.448 1.00 3.75 H new ATOM 0 HD22 LEU A 88 -7.401 -7.640 -2.435 1.00 3.75 H new ATOM 0 HD23 LEU A 88 -8.603 -6.903 -3.521 1.00 3.75 H new ATOM 899 N VAL A 89 -5.716 -5.446 -4.754 1.00 1.74 N ATOM 900 CA VAL A 89 -5.463 -4.200 -4.000 1.00 1.71 C ATOM 901 C VAL A 89 -5.817 -2.944 -4.818 1.00 1.67 C ATOM 902 O VAL A 89 -6.448 -2.016 -4.323 1.00 1.74 O ATOM 903 CB VAL A 89 -3.996 -4.150 -3.522 1.00 1.57 C ATOM 904 CG1 VAL A 89 -3.691 -2.879 -2.722 1.00 1.61 C ATOM 905 CG2 VAL A 89 -3.658 -5.326 -2.597 1.00 1.71 C ATOM 0 H VAL A 89 -4.879 -6.002 -4.927 1.00 1.74 H new ATOM 0 HA VAL A 89 -6.117 -4.206 -3.128 1.00 1.71 H new ATOM 0 HB VAL A 89 -3.402 -4.184 -4.435 1.00 1.57 H new ATOM 0 HG11 VAL A 89 -2.647 -2.889 -2.407 1.00 1.61 H new ATOM 0 HG12 VAL A 89 -3.874 -2.004 -3.346 1.00 1.61 H new ATOM 0 HG13 VAL A 89 -4.335 -2.839 -1.843 1.00 1.61 H new ATOM 0 HG21 VAL A 89 -2.617 -5.254 -2.283 1.00 1.71 H new ATOM 0 HG22 VAL A 89 -4.305 -5.297 -1.720 1.00 1.71 H new ATOM 0 HG23 VAL A 89 -3.812 -6.264 -3.130 1.00 1.71 H new ATOM 915 N HIS A 90 -5.444 -2.923 -6.091 1.00 1.61 N ATOM 916 CA HIS A 90 -5.512 -1.776 -6.995 1.00 1.63 C ATOM 917 C HIS A 90 -6.958 -1.460 -7.383 1.00 1.84 C ATOM 918 O HIS A 90 -7.338 -0.293 -7.359 1.00 2.08 O ATOM 919 CB HIS A 90 -4.688 -2.035 -8.274 1.00 1.57 C ATOM 920 CG HIS A 90 -3.178 -2.042 -8.153 1.00 1.36 C ATOM 921 ND1 HIS A 90 -2.305 -2.098 -9.217 1.00 1.36 N ATOM 922 CD2 HIS A 90 -2.407 -2.002 -7.017 1.00 1.26 C ATOM 923 CE1 HIS A 90 -1.052 -2.067 -8.743 1.00 1.21 C ATOM 924 NE2 HIS A 90 -1.058 -2.005 -7.402 1.00 1.15 N ATOM 0 H HIS A 90 -5.064 -3.752 -6.549 1.00 1.61 H new ATOM 0 HA HIS A 90 -5.094 -0.921 -6.463 1.00 1.63 H new ATOM 0 HB2 HIS A 90 -4.996 -2.998 -8.681 1.00 1.57 H new ATOM 0 HB3 HIS A 90 -4.962 -1.277 -9.008 1.00 1.57 H new ATOM 0 HD1 HIS A 90 -2.568 -2.154 -10.201 1.00 1.36 H new ATOM 0 HD2 HIS A 90 -2.776 -1.973 -6.002 1.00 1.26 H new ATOM 0 HE1 HIS A 90 -0.162 -2.089 -9.354 1.00 1.21 H new ATOM 932 N ALA A 91 -7.753 -2.475 -7.738 1.00 1.80 N ATOM 933 CA ALA A 91 -9.145 -2.324 -8.148 1.00 1.90 C ATOM 934 C ALA A 91 -10.125 -2.315 -6.963 1.00 2.00 C ATOM 935 O ALA A 91 -11.117 -1.581 -7.004 1.00 2.14 O ATOM 936 CB ALA A 91 -9.487 -3.420 -9.166 1.00 1.92 C ATOM 0 H ALA A 91 -7.435 -3.444 -7.747 1.00 1.80 H new ATOM 0 HA ALA A 91 -9.258 -1.346 -8.616 1.00 1.90 H new ATOM 0 HB1 ALA A 91 -10.526 -3.315 -9.478 1.00 1.92 H new ATOM 0 HB2 ALA A 91 -8.836 -3.326 -10.035 1.00 1.92 H new ATOM 0 HB3 ALA A 91 -9.343 -4.399 -8.709 1.00 1.92 H new ATOM 942 N ALA A 92 -9.879 -3.086 -5.895 1.00 1.98 N ATOM 943 CA ALA A 92 -10.776 -3.119 -4.736 1.00 2.07 C ATOM 944 C ALA A 92 -10.464 -2.038 -3.687 1.00 2.10 C ATOM 945 O ALA A 92 -11.371 -1.698 -2.917 1.00 2.43 O ATOM 946 CB ALA A 92 -10.812 -4.524 -4.123 1.00 2.05 C ATOM 0 H ALA A 92 -9.065 -3.695 -5.811 1.00 1.98 H new ATOM 0 HA ALA A 92 -11.774 -2.878 -5.103 1.00 2.07 H new ATOM 0 HB1 ALA A 92 -11.483 -4.529 -3.264 1.00 2.05 H new ATOM 0 HB2 ALA A 92 -11.169 -5.236 -4.867 1.00 2.05 H new ATOM 0 HB3 ALA A 92 -9.809 -4.807 -3.802 1.00 2.05 H new ATOM 952 N LEU A 93 -9.238 -1.474 -3.646 1.00 1.78 N ATOM 953 CA LEU A 93 -8.917 -0.364 -2.722 1.00 1.61 C ATOM 954 C LEU A 93 -8.516 0.947 -3.441 1.00 1.35 C ATOM 955 O LEU A 93 -7.800 1.754 -2.858 1.00 1.11 O ATOM 956 CB LEU A 93 -7.890 -0.813 -1.642 1.00 1.70 C ATOM 957 CG LEU A 93 -8.317 -1.752 -0.506 1.00 2.03 C ATOM 958 CD1 LEU A 93 -9.637 -1.398 0.171 1.00 1.97 C ATOM 959 CD2 LEU A 93 -8.331 -3.186 -0.983 1.00 2.47 C ATOM 0 H LEU A 93 -8.459 -1.766 -4.237 1.00 1.78 H new ATOM 0 HA LEU A 93 -9.841 -0.111 -2.202 1.00 1.61 H new ATOM 0 HB2 LEU A 93 -7.063 -1.295 -2.164 1.00 1.70 H new ATOM 0 HB3 LEU A 93 -7.492 0.091 -1.180 1.00 1.70 H new ATOM 0 HG LEU A 93 -7.562 -1.619 0.269 1.00 2.03 H new ATOM 0 HD11 LEU A 93 -9.848 -2.122 0.958 1.00 1.97 H new ATOM 0 HD12 LEU A 93 -9.568 -0.400 0.604 1.00 1.97 H new ATOM 0 HD13 LEU A 93 -10.440 -1.419 -0.565 1.00 1.97 H new ATOM 0 HD21 LEU A 93 -8.636 -3.839 -0.165 1.00 2.47 H new ATOM 0 HD22 LEU A 93 -9.034 -3.288 -1.810 1.00 2.47 H new ATOM 0 HD23 LEU A 93 -7.333 -3.467 -1.319 1.00 2.47 H new ATOM 971 N ALA A 94 -8.962 1.218 -4.674 1.00 1.53 N ATOM 972 CA ALA A 94 -8.373 2.276 -5.517 1.00 1.37 C ATOM 973 C ALA A 94 -8.332 3.685 -4.898 1.00 1.08 C ATOM 974 O ALA A 94 -7.290 4.353 -4.925 1.00 0.91 O ATOM 975 CB ALA A 94 -9.113 2.333 -6.862 1.00 1.88 C ATOM 0 H ALA A 94 -9.733 0.718 -5.116 1.00 1.53 H new ATOM 0 HA ALA A 94 -7.328 1.988 -5.637 1.00 1.37 H new ATOM 0 HB1 ALA A 94 -8.677 3.115 -7.484 1.00 1.88 H new ATOM 0 HB2 ALA A 94 -9.021 1.372 -7.369 1.00 1.88 H new ATOM 0 HB3 ALA A 94 -10.167 2.552 -6.689 1.00 1.88 H new ATOM 981 N GLU A 95 -9.441 4.149 -4.319 1.00 1.23 N ATOM 982 CA GLU A 95 -9.491 5.478 -3.703 1.00 1.26 C ATOM 983 C GLU A 95 -8.806 5.487 -2.332 1.00 1.31 C ATOM 984 O GLU A 95 -8.340 6.528 -1.870 1.00 1.55 O ATOM 985 CB GLU A 95 -10.947 5.952 -3.595 1.00 1.69 C ATOM 986 CG GLU A 95 -11.650 6.088 -4.955 1.00 1.82 C ATOM 987 CD GLU A 95 -10.948 7.100 -5.865 1.00 3.00 C ATOM 988 OE1 GLU A 95 -10.088 6.695 -6.682 1.00 4.29 O ATOM 989 OE2 GLU A 95 -11.245 8.315 -5.752 1.00 3.81 O ATOM 0 H GLU A 95 -10.315 3.626 -4.263 1.00 1.23 H new ATOM 0 HA GLU A 95 -8.943 6.172 -4.341 1.00 1.26 H new ATOM 0 HB2 GLU A 95 -11.504 5.249 -2.975 1.00 1.69 H new ATOM 0 HB3 GLU A 95 -10.970 6.915 -3.085 1.00 1.69 H new ATOM 0 HG2 GLU A 95 -11.678 5.116 -5.447 1.00 1.82 H new ATOM 0 HG3 GLU A 95 -12.684 6.396 -4.799 1.00 1.82 H new ATOM 996 N GLU A 96 -8.696 4.323 -1.693 1.00 1.27 N ATOM 997 CA GLU A 96 -8.239 4.108 -0.350 1.00 1.37 C ATOM 998 C GLU A 96 -6.704 4.024 -0.310 1.00 1.20 C ATOM 999 O GLU A 96 -6.075 4.544 0.610 1.00 1.44 O ATOM 1000 CB GLU A 96 -8.937 2.812 0.074 1.00 1.46 C ATOM 1001 CG GLU A 96 -10.478 2.851 -0.030 1.00 1.71 C ATOM 1002 CD GLU A 96 -11.190 1.792 0.831 1.00 1.66 C ATOM 1003 OE1 GLU A 96 -10.944 1.722 2.058 1.00 2.63 O ATOM 1004 OE2 GLU A 96 -12.052 1.057 0.286 1.00 1.79 O ATOM 0 H GLU A 96 -8.948 3.447 -2.150 1.00 1.27 H new ATOM 0 HA GLU A 96 -8.481 4.920 0.335 1.00 1.37 H new ATOM 0 HB2 GLU A 96 -8.564 1.995 -0.543 1.00 1.46 H new ATOM 0 HB3 GLU A 96 -8.661 2.585 1.104 1.00 1.46 H new ATOM 0 HG2 GLU A 96 -10.827 3.840 0.266 1.00 1.71 H new ATOM 0 HG3 GLU A 96 -10.765 2.711 -1.072 1.00 1.71 H new ATOM 1011 N LEU A 97 -6.093 3.466 -1.363 1.00 0.92 N ATOM 1012 CA LEU A 97 -4.686 3.554 -1.693 1.00 0.89 C ATOM 1013 C LEU A 97 -4.296 4.926 -2.255 1.00 0.93 C ATOM 1014 O LEU A 97 -3.362 5.551 -1.759 1.00 1.09 O ATOM 1015 CB LEU A 97 -4.461 2.498 -2.793 1.00 1.09 C ATOM 1016 CG LEU A 97 -3.436 1.406 -2.466 1.00 1.17 C ATOM 1017 CD1 LEU A 97 -4.014 0.407 -1.463 1.00 1.79 C ATOM 1018 CD2 LEU A 97 -3.058 0.662 -3.746 1.00 2.34 C ATOM 0 H LEU A 97 -6.611 2.909 -2.043 1.00 0.92 H new ATOM 0 HA LEU A 97 -4.085 3.397 -0.797 1.00 0.89 H new ATOM 0 HB2 LEU A 97 -5.416 2.020 -3.013 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -4.143 3.009 -3.702 1.00 1.09 H new ATOM 0 HG LEU A 97 -2.555 1.878 -2.031 1.00 1.17 H new ATOM 0 HD11 LEU A 97 -3.271 -0.360 -1.244 1.00 1.79 H new ATOM 0 HD12 LEU A 97 -4.280 0.928 -0.543 1.00 1.79 H new ATOM 0 HD13 LEU A 97 -4.904 -0.060 -1.886 1.00 1.79 H new ATOM 0 HD21 LEU A 97 -2.329 -0.115 -3.514 1.00 2.34 H new ATOM 0 HD22 LEU A 97 -3.949 0.206 -4.178 1.00 2.34 H new ATOM 0 HD23 LEU A 97 -2.626 1.363 -4.460 1.00 2.34 H new ATOM 1030 N GLY A 98 -5.004 5.376 -3.298 1.00 0.99 N ATOM 1031 CA GLY A 98 -4.396 6.221 -4.335 1.00 1.31 C ATOM 1032 C GLY A 98 -5.317 7.298 -4.893 1.00 1.43 C ATOM 1033 O GLY A 98 -5.033 7.877 -5.936 1.00 1.96 O ATOM 0 H GLY A 98 -5.992 5.171 -3.447 1.00 0.99 H new ATOM 0 HA2 GLY A 98 -3.508 6.699 -3.922 1.00 1.31 H new ATOM 0 HA3 GLY A 98 -4.063 5.585 -5.155 1.00 1.31 H new ATOM 1037 N GLY A 99 -6.425 7.543 -4.203 1.00 1.42 N ATOM 1038 CA GLY A 99 -7.418 8.569 -4.559 1.00 1.98 C ATOM 1039 C GLY A 99 -6.864 9.992 -4.393 1.00 2.16 C ATOM 1040 O GLY A 99 -6.706 10.716 -5.380 1.00 2.44 O ATOM 0 H GLY A 99 -6.670 7.025 -3.359 1.00 1.42 H new ATOM 0 HA2 GLY A 99 -7.736 8.422 -5.591 1.00 1.98 H new ATOM 0 HA3 GLY A 99 -8.302 8.449 -3.933 1.00 1.98 H new ATOM 1044 N PRO A 100 -6.473 10.386 -3.167 1.00 2.13 N ATOM 1045 CA PRO A 100 -5.857 11.683 -2.888 1.00 2.31 C ATOM 1046 C PRO A 100 -4.336 11.690 -3.157 1.00 1.91 C ATOM 1047 O PRO A 100 -3.583 12.379 -2.467 1.00 1.83 O ATOM 1048 CB PRO A 100 -6.239 11.947 -1.430 1.00 2.68 C ATOM 1049 CG PRO A 100 -6.160 10.561 -0.800 1.00 2.52 C ATOM 1050 CD PRO A 100 -6.704 9.667 -1.914 1.00 2.22 C ATOM 0 HA PRO A 100 -6.208 12.478 -3.546 1.00 2.31 H new ATOM 0 HB2 PRO A 100 -5.553 12.647 -0.953 1.00 2.68 H new ATOM 0 HB3 PRO A 100 -7.239 12.373 -1.345 1.00 2.68 H new ATOM 0 HG2 PRO A 100 -5.139 10.296 -0.527 1.00 2.52 H new ATOM 0 HG3 PRO A 100 -6.760 10.492 0.107 1.00 2.52 H new ATOM 0 HD2 PRO A 100 -6.197 8.702 -1.920 1.00 2.22 H new ATOM 0 HD3 PRO A 100 -7.766 9.469 -1.770 1.00 2.22 H new ATOM 1058 N VAL A 101 -3.859 10.877 -4.112 1.00 1.83 N ATOM 1059 CA VAL A 101 -2.429 10.607 -4.357 1.00 1.46 C ATOM 1060 C VAL A 101 -2.152 10.615 -5.867 1.00 1.46 C ATOM 1061 O VAL A 101 -2.823 9.919 -6.631 1.00 1.71 O ATOM 1062 CB VAL A 101 -1.964 9.285 -3.682 1.00 1.30 C ATOM 1063 CG1 VAL A 101 -0.494 9.369 -3.316 1.00 1.42 C ATOM 1064 CG2 VAL A 101 -2.708 8.939 -2.378 1.00 2.05 C ATOM 0 H VAL A 101 -4.472 10.374 -4.754 1.00 1.83 H new ATOM 0 HA VAL A 101 -1.841 11.401 -3.897 1.00 1.46 H new ATOM 0 HB VAL A 101 -2.176 8.514 -4.423 1.00 1.30 H new ATOM 0 HG11 VAL A 101 -0.183 8.437 -2.845 1.00 1.42 H new ATOM 0 HG12 VAL A 101 0.096 9.535 -4.217 1.00 1.42 H new ATOM 0 HG13 VAL A 101 -0.338 10.196 -2.623 1.00 1.42 H new ATOM 0 HG21 VAL A 101 -2.321 8.003 -1.976 1.00 2.05 H new ATOM 0 HG22 VAL A 101 -2.557 9.737 -1.651 1.00 2.05 H new ATOM 0 HG23 VAL A 101 -3.773 8.832 -2.584 1.00 2.05 H new ATOM 1074 N HIS A 102 -1.185 11.418 -6.319 1.00 1.35 N ATOM 1075 CA HIS A 102 -0.925 11.690 -7.745 1.00 1.48 C ATOM 1076 C HIS A 102 -0.018 10.644 -8.410 1.00 1.46 C ATOM 1077 O HIS A 102 -0.179 10.354 -9.602 1.00 1.71 O ATOM 1078 CB HIS A 102 -0.332 13.099 -7.887 1.00 1.49 C ATOM 1079 CG HIS A 102 -1.343 14.177 -7.602 1.00 2.21 C ATOM 1080 ND1 HIS A 102 -2.248 14.704 -8.493 1.00 2.88 N ATOM 1081 CD2 HIS A 102 -1.573 14.775 -6.395 1.00 2.99 C ATOM 1082 CE1 HIS A 102 -3.008 15.599 -7.846 1.00 4.13 C ATOM 1083 NE2 HIS A 102 -2.624 15.684 -6.562 1.00 4.28 N ATOM 0 H HIS A 102 -0.545 11.910 -5.695 1.00 1.35 H new ATOM 0 HA HIS A 102 -1.878 11.628 -8.271 1.00 1.48 H new ATOM 0 HB2 HIS A 102 0.512 13.206 -7.205 1.00 1.49 H new ATOM 0 HB3 HIS A 102 0.057 13.227 -8.897 1.00 1.49 H new ATOM 0 HD2 HIS A 102 -1.039 14.581 -5.476 1.00 2.99 H new ATOM 0 HE1 HIS A 102 -3.811 16.168 -8.292 1.00 4.13 H new ATOM 0 HE2 HIS A 102 -3.021 16.293 -5.847 1.00 4.28 H new ATOM 1091 N ALA A 103 0.895 10.059 -7.630 1.00 1.20 N ATOM 1092 CA ALA A 103 1.647 8.858 -7.966 1.00 1.10 C ATOM 1093 C ALA A 103 1.838 7.970 -6.729 1.00 0.88 C ATOM 1094 O ALA A 103 2.019 8.459 -5.612 1.00 0.82 O ATOM 1095 CB ALA A 103 3.016 9.224 -8.534 1.00 1.14 C ATOM 0 H ALA A 103 1.137 10.428 -6.710 1.00 1.20 H new ATOM 0 HA ALA A 103 1.077 8.310 -8.716 1.00 1.10 H new ATOM 0 HB1 ALA A 103 3.563 8.314 -8.779 1.00 1.14 H new ATOM 0 HB2 ALA A 103 2.888 9.824 -9.435 1.00 1.14 H new ATOM 0 HB3 ALA A 103 3.576 9.796 -7.794 1.00 1.14 H new ATOM 1101 N LEU A 104 1.863 6.658 -6.935 1.00 0.84 N ATOM 1102 CA LEU A 104 2.219 5.678 -5.929 1.00 0.74 C ATOM 1103 C LEU A 104 2.653 4.304 -6.466 1.00 0.71 C ATOM 1104 O LEU A 104 2.278 3.901 -7.571 1.00 0.82 O ATOM 1105 CB LEU A 104 1.095 5.548 -4.897 1.00 0.86 C ATOM 1106 CG LEU A 104 -0.166 4.733 -5.221 1.00 0.93 C ATOM 1107 CD1 LEU A 104 -0.978 4.641 -3.927 1.00 1.06 C ATOM 1108 CD2 LEU A 104 -1.043 5.376 -6.293 1.00 1.30 C ATOM 0 H LEU A 104 1.628 6.240 -7.835 1.00 0.84 H new ATOM 0 HA LEU A 104 3.118 6.068 -5.452 1.00 0.74 H new ATOM 0 HB2 LEU A 104 1.533 5.120 -3.996 1.00 0.86 H new ATOM 0 HB3 LEU A 104 0.770 6.558 -4.645 1.00 0.86 H new ATOM 0 HG LEU A 104 0.143 3.762 -5.607 1.00 0.93 H new ATOM 0 HD11 LEU A 104 -1.888 4.068 -4.108 1.00 1.06 H new ATOM 0 HD12 LEU A 104 -0.384 4.145 -3.159 1.00 1.06 H new ATOM 0 HD13 LEU A 104 -1.242 5.644 -3.591 1.00 1.06 H new ATOM 0 HD21 LEU A 104 -1.916 4.749 -6.473 1.00 1.30 H new ATOM 0 HD22 LEU A 104 -1.367 6.361 -5.956 1.00 1.30 H new ATOM 0 HD23 LEU A 104 -0.473 5.478 -7.216 1.00 1.30 H new ATOM 1120 N ALA A 105 3.409 3.567 -5.647 1.00 0.63 N ATOM 1121 CA ALA A 105 3.752 2.159 -5.877 1.00 0.65 C ATOM 1122 C ALA A 105 3.614 1.288 -4.606 1.00 0.62 C ATOM 1123 O ALA A 105 3.952 1.711 -3.494 1.00 0.64 O ATOM 1124 CB ALA A 105 5.149 2.079 -6.503 1.00 0.72 C ATOM 0 H ALA A 105 3.809 3.940 -4.786 1.00 0.63 H new ATOM 0 HA ALA A 105 3.030 1.737 -6.576 1.00 0.65 H new ATOM 0 HB1 ALA A 105 5.411 1.035 -6.677 1.00 0.72 H new ATOM 0 HB2 ALA A 105 5.154 2.617 -7.451 1.00 0.72 H new ATOM 0 HB3 ALA A 105 5.877 2.528 -5.827 1.00 0.72 H new ATOM 1130 N ILE A 106 3.117 0.057 -4.777 1.00 0.61 N ATOM 1131 CA ILE A 106 2.934 -0.929 -3.711 1.00 0.57 C ATOM 1132 C ILE A 106 3.673 -2.240 -3.993 1.00 0.50 C ATOM 1133 O ILE A 106 3.670 -2.739 -5.120 1.00 0.63 O ATOM 1134 CB ILE A 106 1.436 -1.173 -3.418 1.00 0.73 C ATOM 1135 CG1 ILE A 106 0.633 -1.857 -4.553 1.00 0.86 C ATOM 1136 CG2 ILE A 106 0.762 0.152 -3.023 1.00 0.88 C ATOM 1137 CD1 ILE A 106 0.408 -3.362 -4.354 1.00 1.04 C ATOM 0 H ILE A 106 2.823 -0.289 -5.690 1.00 0.61 H new ATOM 0 HA ILE A 106 3.383 -0.506 -2.812 1.00 0.57 H new ATOM 0 HB ILE A 106 1.420 -1.888 -2.595 1.00 0.73 H new ATOM 0 HG12 ILE A 106 -0.336 -1.366 -4.642 1.00 0.86 H new ATOM 0 HG13 ILE A 106 1.157 -1.702 -5.496 1.00 0.86 H new ATOM 0 HG21 ILE A 106 -0.294 -0.024 -2.817 1.00 0.88 H new ATOM 0 HG22 ILE A 106 1.243 0.553 -2.131 1.00 0.88 H new ATOM 0 HG23 ILE A 106 0.858 0.867 -3.840 1.00 0.88 H new ATOM 0 HD11 ILE A 106 -0.162 -3.759 -5.194 1.00 1.04 H new ATOM 0 HD12 ILE A 106 1.371 -3.869 -4.297 1.00 1.04 H new ATOM 0 HD13 ILE A 106 -0.145 -3.528 -3.430 1.00 1.04 H new ATOM 1149 N GLN A 107 4.240 -2.828 -2.943 1.00 0.57 N ATOM 1150 CA GLN A 107 4.716 -4.209 -2.917 1.00 0.63 C ATOM 1151 C GLN A 107 3.689 -5.058 -2.151 1.00 0.57 C ATOM 1152 O GLN A 107 3.445 -4.769 -0.982 1.00 0.63 O ATOM 1153 CB GLN A 107 6.102 -4.296 -2.248 1.00 0.81 C ATOM 1154 CG GLN A 107 7.202 -3.388 -2.827 1.00 1.38 C ATOM 1155 CD GLN A 107 7.157 -1.951 -2.299 1.00 2.93 C ATOM 1156 OE1 GLN A 107 6.821 -1.010 -3.002 1.00 3.90 O ATOM 1157 NE2 GLN A 107 7.556 -1.692 -1.071 1.00 4.37 N ATOM 0 H GLN A 107 4.386 -2.341 -2.058 1.00 0.57 H new ATOM 0 HA GLN A 107 4.822 -4.584 -3.935 1.00 0.63 H new ATOM 0 HB2 GLN A 107 5.986 -4.059 -1.190 1.00 0.81 H new ATOM 0 HB3 GLN A 107 6.446 -5.329 -2.308 1.00 0.81 H new ATOM 0 HG2 GLN A 107 8.176 -3.820 -2.596 1.00 1.38 H new ATOM 0 HG3 GLN A 107 7.111 -3.369 -3.913 1.00 1.38 H new ATOM 0 HE21 GLN A 107 7.844 -2.454 -0.457 1.00 4.37 H new ATOM 0 HE22 GLN A 107 7.577 -0.730 -0.734 1.00 4.37 H new ATOM 1166 N ALA A 108 3.095 -6.087 -2.766 1.00 0.64 N ATOM 1167 CA ALA A 108 2.062 -6.936 -2.155 1.00 0.63 C ATOM 1168 C ALA A 108 2.486 -8.413 -2.116 1.00 0.71 C ATOM 1169 O ALA A 108 2.635 -9.041 -3.165 1.00 0.90 O ATOM 1170 CB ALA A 108 0.732 -6.741 -2.894 1.00 0.79 C ATOM 0 H ALA A 108 3.323 -6.360 -3.722 1.00 0.64 H new ATOM 0 HA ALA A 108 1.929 -6.631 -1.117 1.00 0.63 H new ATOM 0 HB1 ALA A 108 -0.033 -7.371 -2.440 1.00 0.79 H new ATOM 0 HB2 ALA A 108 0.428 -5.696 -2.827 1.00 0.79 H new ATOM 0 HB3 ALA A 108 0.854 -7.017 -3.941 1.00 0.79 H new ATOM 1176 N ARG A 109 2.682 -8.967 -0.911 1.00 0.70 N ATOM 1177 CA ARG A 109 3.303 -10.291 -0.678 1.00 0.78 C ATOM 1178 C ARG A 109 2.604 -11.134 0.414 1.00 0.75 C ATOM 1179 O ARG A 109 1.610 -10.720 1.020 1.00 0.72 O ATOM 1180 CB ARG A 109 4.802 -10.065 -0.362 1.00 0.99 C ATOM 1181 CG ARG A 109 5.764 -10.380 -1.507 1.00 1.34 C ATOM 1182 CD ARG A 109 5.895 -9.296 -2.583 1.00 1.56 C ATOM 1183 NE ARG A 109 7.068 -9.630 -3.402 1.00 1.95 N ATOM 1184 CZ ARG A 109 7.895 -8.833 -4.039 1.00 2.10 C ATOM 1185 NH1 ARG A 109 7.649 -7.575 -4.248 1.00 2.75 N ATOM 1186 NH2 ARG A 109 9.017 -9.345 -4.438 1.00 2.63 N ATOM 0 H ARG A 109 2.408 -8.500 -0.046 1.00 0.70 H new ATOM 0 HA ARG A 109 3.187 -10.886 -1.584 1.00 0.78 H new ATOM 0 HB2 ARG A 109 4.942 -9.025 -0.067 1.00 0.99 H new ATOM 0 HB3 ARG A 109 5.072 -10.679 0.497 1.00 0.99 H new ATOM 0 HG2 ARG A 109 6.751 -10.569 -1.086 1.00 1.34 H new ATOM 0 HG3 ARG A 109 5.440 -11.304 -1.986 1.00 1.34 H new ATOM 0 HD2 ARG A 109 4.996 -9.255 -3.198 1.00 1.56 H new ATOM 0 HD3 ARG A 109 6.013 -8.314 -2.126 1.00 1.56 H new ATOM 0 HE ARG A 109 7.270 -10.626 -3.489 1.00 1.95 H new ATOM 0 HH11 ARG A 109 6.779 -7.163 -3.911 1.00 2.75 H new ATOM 0 HH12 ARG A 109 8.326 -6.999 -4.749 1.00 2.75 H new ATOM 0 HH21 ARG A 109 9.224 -10.326 -4.253 1.00 2.63 H new ATOM 0 HH22 ARG A 109 9.693 -8.766 -4.937 1.00 2.63 H new ATOM 1200 N THR A 110 3.149 -12.324 0.687 1.00 0.84 N ATOM 1201 CA THR A 110 2.579 -13.301 1.630 1.00 0.90 C ATOM 1202 C THR A 110 3.353 -13.428 2.969 1.00 0.81 C ATOM 1203 O THR A 110 4.567 -13.157 3.066 1.00 0.73 O ATOM 1204 CB THR A 110 2.369 -14.659 0.938 1.00 1.06 C ATOM 1205 OG1 THR A 110 3.595 -15.245 0.580 1.00 1.08 O ATOM 1206 CG2 THR A 110 1.526 -14.544 -0.333 1.00 1.27 C ATOM 0 H THR A 110 4.015 -12.644 0.253 1.00 0.84 H new ATOM 0 HA THR A 110 1.605 -12.910 1.925 1.00 0.90 H new ATOM 0 HB THR A 110 1.845 -15.278 1.666 1.00 1.06 H new ATOM 0 HG1 THR A 110 3.494 -15.720 -0.271 1.00 1.08 H new ATOM 0 HG21 THR A 110 1.408 -15.530 -0.782 1.00 1.27 H new ATOM 0 HG22 THR A 110 0.545 -14.139 -0.084 1.00 1.27 H new ATOM 0 HG23 THR A 110 2.023 -13.880 -1.040 1.00 1.27 H new ATOM 1214 N PRO A 111 2.654 -13.806 4.058 1.00 0.85 N ATOM 1215 CA PRO A 111 3.255 -13.853 5.381 1.00 0.81 C ATOM 1216 C PRO A 111 4.370 -14.893 5.477 1.00 0.84 C ATOM 1217 O PRO A 111 5.414 -14.554 6.013 1.00 0.82 O ATOM 1218 CB PRO A 111 2.112 -14.105 6.365 1.00 0.93 C ATOM 1219 CG PRO A 111 1.046 -14.786 5.517 1.00 1.20 C ATOM 1220 CD PRO A 111 1.232 -14.102 4.165 1.00 0.99 C ATOM 0 HA PRO A 111 3.753 -12.913 5.616 1.00 0.81 H new ATOM 0 HB2 PRO A 111 2.429 -14.739 7.193 1.00 0.93 H new ATOM 0 HB3 PRO A 111 1.745 -13.175 6.798 1.00 0.93 H new ATOM 0 HG2 PRO A 111 1.201 -15.863 5.454 1.00 1.20 H new ATOM 0 HG3 PRO A 111 0.045 -14.631 5.918 1.00 1.20 H new ATOM 0 HD2 PRO A 111 0.906 -14.750 3.352 1.00 0.99 H new ATOM 0 HD3 PRO A 111 0.638 -13.190 4.104 1.00 0.99 H new ATOM 1228 N ALA A 112 4.253 -16.098 4.912 1.00 0.99 N ATOM 1229 CA ALA A 112 5.285 -17.125 5.095 1.00 1.04 C ATOM 1230 C ALA A 112 6.666 -16.745 4.506 1.00 0.94 C ATOM 1231 O ALA A 112 7.685 -17.235 5.005 1.00 1.00 O ATOM 1232 CB ALA A 112 4.773 -18.450 4.520 1.00 1.30 C ATOM 0 H ALA A 112 3.465 -16.385 4.331 1.00 0.99 H new ATOM 0 HA ALA A 112 5.462 -17.223 6.166 1.00 1.04 H new ATOM 0 HB1 ALA A 112 5.532 -19.221 4.651 1.00 1.30 H new ATOM 0 HB2 ALA A 112 3.863 -18.745 5.042 1.00 1.30 H new ATOM 0 HB3 ALA A 112 4.559 -18.327 3.458 1.00 1.30 H new ATOM 1238 N GLN A 113 6.722 -15.837 3.516 1.00 0.91 N ATOM 1239 CA GLN A 113 7.967 -15.200 3.049 1.00 0.95 C ATOM 1240 C GLN A 113 8.355 -13.973 3.900 1.00 0.85 C ATOM 1241 O GLN A 113 9.536 -13.838 4.257 1.00 1.03 O ATOM 1242 CB GLN A 113 7.911 -14.894 1.537 1.00 1.16 C ATOM 1243 CG GLN A 113 6.806 -13.913 1.129 1.00 0.96 C ATOM 1244 CD GLN A 113 6.745 -13.625 -0.370 1.00 1.25 C ATOM 1245 OE1 GLN A 113 7.626 -13.006 -0.955 1.00 2.29 O ATOM 1246 NE2 GLN A 113 5.668 -13.995 -1.030 1.00 1.78 N ATOM 0 H GLN A 113 5.894 -15.521 3.011 1.00 0.91 H new ATOM 0 HA GLN A 113 8.773 -15.920 3.191 1.00 0.95 H new ATOM 0 HB2 GLN A 113 8.873 -14.488 1.225 1.00 1.16 H new ATOM 0 HB3 GLN A 113 7.768 -15.829 0.995 1.00 1.16 H new ATOM 0 HG2 GLN A 113 5.844 -14.313 1.450 1.00 0.96 H new ATOM 0 HG3 GLN A 113 6.955 -12.974 1.662 1.00 0.96 H new ATOM 0 HE21 GLN A 113 4.929 -14.511 -0.552 1.00 1.78 H new ATOM 0 HE22 GLN A 113 5.572 -13.766 -2.019 1.00 1.78 H new ATOM 1255 N TRP A 114 7.391 -13.121 4.316 1.00 0.69 N ATOM 1256 CA TRP A 114 7.727 -12.031 5.260 1.00 0.68 C ATOM 1257 C TRP A 114 8.333 -12.546 6.582 1.00 0.81 C ATOM 1258 O TRP A 114 9.294 -11.972 7.100 1.00 0.95 O ATOM 1259 CB TRP A 114 6.507 -11.160 5.585 1.00 0.61 C ATOM 1260 CG TRP A 114 6.852 -9.945 6.381 1.00 0.67 C ATOM 1261 CD1 TRP A 114 6.740 -9.835 7.719 1.00 0.88 C ATOM 1262 CD2 TRP A 114 7.273 -8.625 5.920 1.00 0.65 C ATOM 1263 NE1 TRP A 114 7.237 -8.621 8.136 1.00 0.86 N ATOM 1264 CE2 TRP A 114 7.532 -7.812 7.063 1.00 0.71 C ATOM 1265 CE3 TRP A 114 7.367 -7.999 4.659 1.00 0.66 C ATOM 1266 CZ2 TRP A 114 7.866 -6.455 6.968 1.00 0.76 C ATOM 1267 CZ3 TRP A 114 7.635 -6.621 4.562 1.00 0.74 C ATOM 1268 CH2 TRP A 114 7.895 -5.849 5.705 1.00 0.79 C ATOM 0 H TRP A 114 6.413 -13.161 4.028 1.00 0.69 H new ATOM 0 HA TRP A 114 8.478 -11.432 4.745 1.00 0.68 H new ATOM 0 HB2 TRP A 114 6.028 -10.854 4.655 1.00 0.61 H new ATOM 0 HB3 TRP A 114 5.780 -11.755 6.137 1.00 0.61 H new ATOM 0 HD1 TRP A 114 6.322 -10.589 8.369 1.00 0.88 H new ATOM 0 HE1 TRP A 114 7.369 -8.356 9.112 1.00 0.86 H new ATOM 0 HE3 TRP A 114 7.232 -8.583 3.760 1.00 0.66 H new ATOM 0 HZ2 TRP A 114 8.098 -5.884 7.855 1.00 0.76 H new ATOM 0 HZ3 TRP A 114 7.641 -6.149 3.591 1.00 0.74 H new ATOM 0 HH2 TRP A 114 8.116 -4.796 5.612 1.00 0.79 H new ATOM 1279 N ARG A 115 7.795 -13.657 7.100 1.00 0.84 N ATOM 1280 CA ARG A 115 8.223 -14.355 8.331 1.00 1.04 C ATOM 1281 C ARG A 115 9.638 -14.929 8.215 1.00 1.16 C ATOM 1282 O ARG A 115 10.362 -15.002 9.207 1.00 1.37 O ATOM 1283 CB ARG A 115 7.253 -15.509 8.631 1.00 1.16 C ATOM 1284 CG ARG A 115 5.805 -15.096 8.946 1.00 1.37 C ATOM 1285 CD ARG A 115 5.490 -14.815 10.411 1.00 1.87 C ATOM 1286 NE ARG A 115 5.999 -13.495 10.832 1.00 3.03 N ATOM 1287 CZ ARG A 115 5.328 -12.362 10.924 1.00 4.60 C ATOM 1288 NH1 ARG A 115 4.044 -12.281 10.760 1.00 5.40 N ATOM 1289 NH2 ARG A 115 5.948 -11.252 11.188 1.00 5.79 N ATOM 0 H ARG A 115 7.006 -14.123 6.652 1.00 0.84 H new ATOM 0 HA ARG A 115 8.219 -13.619 9.135 1.00 1.04 H new ATOM 0 HB2 ARG A 115 7.241 -16.182 7.774 1.00 1.16 H new ATOM 0 HB3 ARG A 115 7.642 -16.076 9.477 1.00 1.16 H new ATOM 0 HG2 ARG A 115 5.570 -14.203 8.367 1.00 1.37 H new ATOM 0 HG3 ARG A 115 5.140 -15.886 8.598 1.00 1.37 H new ATOM 0 HD2 ARG A 115 4.412 -14.857 10.567 1.00 1.87 H new ATOM 0 HD3 ARG A 115 5.932 -15.592 11.035 1.00 1.87 H new ATOM 0 HE ARG A 115 6.987 -13.453 11.082 1.00 3.03 H new ATOM 0 HH11 ARG A 115 3.503 -13.119 10.549 1.00 5.40 H new ATOM 0 HH12 ARG A 115 3.575 -11.379 10.842 1.00 5.40 H new ATOM 0 HH21 ARG A 115 6.959 -11.253 11.325 1.00 5.79 H new ATOM 0 HH22 ARG A 115 5.424 -10.379 11.258 1.00 5.79 H new ATOM 1303 N GLU A 116 10.015 -15.332 7.000 1.00 1.15 N ATOM 1304 CA GLU A 116 11.301 -15.957 6.704 1.00 1.37 C ATOM 1305 C GLU A 116 12.407 -14.906 6.528 1.00 1.61 C ATOM 1306 O GLU A 116 13.395 -14.963 7.264 1.00 1.96 O ATOM 1307 CB GLU A 116 11.153 -16.897 5.495 1.00 1.47 C ATOM 1308 CG GLU A 116 12.381 -17.797 5.301 1.00 2.02 C ATOM 1309 CD GLU A 116 12.143 -18.862 4.220 1.00 2.47 C ATOM 1310 OE1 GLU A 116 12.801 -18.786 3.153 1.00 3.81 O ATOM 1311 OE2 GLU A 116 11.310 -19.777 4.445 1.00 2.62 O ATOM 0 H GLU A 116 9.420 -15.230 6.178 1.00 1.15 H new ATOM 0 HA GLU A 116 11.613 -16.566 7.552 1.00 1.37 H new ATOM 0 HB2 GLU A 116 10.267 -17.519 5.628 1.00 1.47 H new ATOM 0 HB3 GLU A 116 10.994 -16.304 4.594 1.00 1.47 H new ATOM 0 HG2 GLU A 116 13.240 -17.185 5.026 1.00 2.02 H new ATOM 0 HG3 GLU A 116 12.627 -18.285 6.244 1.00 2.02 H new ATOM 1318 N ASN A 117 12.261 -13.933 5.611 1.00 1.68 N ATOM 1319 CA ASN A 117 13.325 -12.927 5.379 1.00 2.23 C ATOM 1320 C ASN A 117 12.866 -11.477 5.104 1.00 2.59 C ATOM 1321 O ASN A 117 13.627 -10.698 4.525 1.00 2.85 O ATOM 1322 CB ASN A 117 14.327 -13.450 4.326 1.00 2.59 C ATOM 1323 CG ASN A 117 13.858 -13.342 2.885 1.00 2.43 C ATOM 1324 OD1 ASN A 117 12.682 -13.192 2.585 1.00 3.37 O ATOM 1325 ND2 ASN A 117 14.773 -13.395 1.949 1.00 2.84 N ATOM 0 H ASN A 117 11.434 -13.818 5.025 1.00 1.68 H new ATOM 0 HA ASN A 117 13.826 -12.819 6.341 1.00 2.23 H new ATOM 0 HB2 ASN A 117 15.262 -12.899 4.430 1.00 2.59 H new ATOM 0 HB3 ASN A 117 14.547 -14.495 4.543 1.00 2.59 H new ATOM 0 HD21 ASN A 117 14.505 -13.311 0.968 1.00 2.84 H new ATOM 0 HD22 ASN A 117 15.753 -13.520 2.201 1.00 2.84 H new ATOM 1332 N SER A 118 11.625 -11.101 5.438 1.00 3.03 N ATOM 1333 CA SER A 118 10.995 -9.814 5.051 1.00 3.80 C ATOM 1334 C SER A 118 10.913 -9.552 3.521 1.00 4.07 C ATOM 1335 O SER A 118 10.446 -8.489 3.112 1.00 4.79 O ATOM 1336 CB SER A 118 11.654 -8.620 5.776 1.00 4.67 C ATOM 1337 OG SER A 118 11.865 -8.819 7.172 1.00 5.78 O ATOM 0 H SER A 118 11.009 -11.691 5.998 1.00 3.03 H new ATOM 0 HA SER A 118 9.960 -9.911 5.380 1.00 3.80 H new ATOM 0 HB2 SER A 118 12.613 -8.408 5.303 1.00 4.67 H new ATOM 0 HB3 SER A 118 11.029 -7.738 5.638 1.00 4.67 H new ATOM 0 HG SER A 118 12.286 -8.022 7.556 1.00 5.78 H new