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 -70:sc= 0.0397 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.696 K(o=0.74,f=-6!) USER MOD Set 2.1: A 58 HIS : no HE2:sc= 0 K(o=-2.7,f=-5) USER MOD Set 2.2: A 66 THR OG1 : rot -17:sc=-0.00703 USER MOD Set 2.3: A 67 HIS : no HE2:sc= -2.65! X(o=-2.7!,f=-3.1) USER MOD Set 2.4: A 102 HIS :FLIP no HD1:sc= -0.0819 X(o=-3.1,f=-2.7) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.79 (180deg=1.65) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.2!) USER MOD Single : A 55 SER OG : rot -114:sc= 1.7 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 120:sc= 0.462 USER MOD Single : A 75 SER OG : rot 81:sc= 1.01 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.716 K(o=0.72,f=-4.1!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=-0.073) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 117 ASN : amide:sc= -0.0057 X(o=-0.0057,f=-0.0057) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -1.118 11.968 8.491 1.00 1.26 N ATOM 2 CA PRO A 31 -0.334 11.533 7.345 1.00 1.18 C ATOM 3 C PRO A 31 -1.070 10.418 6.583 1.00 1.01 C ATOM 4 O PRO A 31 -1.644 9.509 7.198 1.00 0.96 O ATOM 5 CB PRO A 31 1.007 11.064 7.929 1.00 1.29 C ATOM 6 CG PRO A 31 1.133 11.870 9.221 1.00 1.47 C ATOM 7 CD PRO A 31 -0.313 11.916 9.705 1.00 1.34 C ATOM 0 HA PRO A 31 -0.177 12.327 6.615 1.00 1.18 H new ATOM 0 HB2 PRO A 31 1.007 9.991 8.123 1.00 1.29 H new ATOM 0 HB3 PRO A 31 1.834 11.265 7.248 1.00 1.29 H new ATOM 0 HG2 PRO A 31 1.790 11.385 9.943 1.00 1.47 H new ATOM 0 HG3 PRO A 31 1.536 12.867 9.043 1.00 1.47 H new ATOM 0 HD2 PRO A 31 -0.557 11.038 10.302 1.00 1.34 H new ATOM 0 HD3 PRO A 31 -0.491 12.789 10.334 1.00 1.34 H new ATOM 15 N VAL A 32 -1.065 10.487 5.250 1.00 1.00 N ATOM 16 CA VAL A 32 -1.779 9.529 4.378 1.00 0.98 C ATOM 17 C VAL A 32 -1.327 8.075 4.591 1.00 0.85 C ATOM 18 O VAL A 32 -2.093 7.129 4.432 1.00 0.83 O ATOM 19 CB VAL A 32 -1.661 9.960 2.899 1.00 1.13 C ATOM 20 CG1 VAL A 32 -0.234 9.946 2.334 1.00 2.44 C ATOM 21 CG2 VAL A 32 -2.514 9.058 2.013 1.00 2.27 C ATOM 0 H VAL A 32 -0.565 11.211 4.734 1.00 1.00 H new ATOM 0 HA VAL A 32 -2.831 9.553 4.661 1.00 0.98 H new ATOM 0 HB VAL A 32 -2.007 10.994 2.889 1.00 1.13 H new ATOM 0 HG11 VAL A 32 -0.252 10.263 1.291 1.00 2.44 H new ATOM 0 HG12 VAL A 32 0.392 10.628 2.910 1.00 2.44 H new ATOM 0 HG13 VAL A 32 0.173 8.937 2.399 1.00 2.44 H new ATOM 0 HG21 VAL A 32 -2.420 9.374 0.974 1.00 2.27 H new ATOM 0 HG22 VAL A 32 -2.175 8.027 2.110 1.00 2.27 H new ATOM 0 HG23 VAL A 32 -3.557 9.127 2.321 1.00 2.27 H new ATOM 31 N GLU A 33 -0.093 7.882 5.040 1.00 0.83 N ATOM 32 CA GLU A 33 0.508 6.573 5.319 1.00 0.78 C ATOM 33 C GLU A 33 -0.129 5.927 6.567 1.00 0.73 C ATOM 34 O GLU A 33 -0.525 4.759 6.553 1.00 0.72 O ATOM 35 CB GLU A 33 2.050 6.715 5.312 1.00 0.87 C ATOM 36 CG GLU A 33 2.692 7.026 6.662 1.00 1.03 C ATOM 37 CD GLU A 33 4.198 7.366 6.643 1.00 1.37 C ATOM 38 OE1 GLU A 33 4.758 7.802 5.607 1.00 2.21 O ATOM 39 OE2 GLU A 33 4.845 7.236 7.713 1.00 2.20 O ATOM 0 H GLU A 33 0.543 8.656 5.228 1.00 0.83 H new ATOM 0 HA GLU A 33 0.286 5.850 4.534 1.00 0.78 H new ATOM 0 HB2 GLU A 33 2.480 5.789 4.931 1.00 0.87 H new ATOM 0 HB3 GLU A 33 2.321 7.505 4.611 1.00 0.87 H new ATOM 0 HG2 GLU A 33 2.158 7.864 7.109 1.00 1.03 H new ATOM 0 HG3 GLU A 33 2.544 6.167 7.317 1.00 1.03 H new ATOM 46 N ALA A 34 -0.372 6.735 7.600 1.00 0.75 N ATOM 47 CA ALA A 34 -1.140 6.356 8.785 1.00 0.76 C ATOM 48 C ALA A 34 -2.633 6.133 8.460 1.00 0.75 C ATOM 49 O ALA A 34 -3.248 5.169 8.938 1.00 0.75 O ATOM 50 CB ALA A 34 -0.886 7.431 9.845 1.00 0.87 C ATOM 0 H ALA A 34 -0.031 7.696 7.636 1.00 0.75 H new ATOM 0 HA ALA A 34 -0.814 5.391 9.173 1.00 0.76 H new ATOM 0 HB1 ALA A 34 -1.442 7.188 10.750 1.00 0.87 H new ATOM 0 HB2 ALA A 34 0.179 7.472 10.073 1.00 0.87 H new ATOM 0 HB3 ALA A 34 -1.214 8.399 9.467 1.00 0.87 H new ATOM 56 N ALA A 35 -3.197 6.966 7.575 1.00 0.80 N ATOM 57 CA ALA A 35 -4.539 6.737 7.038 1.00 0.86 C ATOM 58 C ALA A 35 -4.636 5.381 6.307 1.00 0.82 C ATOM 59 O ALA A 35 -5.594 4.646 6.547 1.00 0.84 O ATOM 60 CB ALA A 35 -4.955 7.919 6.154 1.00 0.97 C ATOM 0 H ALA A 35 -2.741 7.805 7.217 1.00 0.80 H new ATOM 0 HA ALA A 35 -5.245 6.678 7.866 1.00 0.86 H new ATOM 0 HB1 ALA A 35 -5.955 7.742 5.757 1.00 0.97 H new ATOM 0 HB2 ALA A 35 -4.956 8.834 6.747 1.00 0.97 H new ATOM 0 HB3 ALA A 35 -4.250 8.022 5.329 1.00 0.97 H new ATOM 66 N ILE A 36 -3.620 4.977 5.524 1.00 0.83 N ATOM 67 CA ILE A 36 -3.538 3.610 4.979 1.00 0.90 C ATOM 68 C ILE A 36 -3.508 2.567 6.089 1.00 0.80 C ATOM 69 O ILE A 36 -4.280 1.616 6.000 1.00 0.82 O ATOM 70 CB ILE A 36 -2.377 3.416 3.963 1.00 1.13 C ATOM 71 CG1 ILE A 36 -2.910 3.781 2.560 1.00 1.18 C ATOM 72 CG2 ILE A 36 -1.757 1.996 3.988 1.00 2.13 C ATOM 73 CD1 ILE A 36 -2.067 3.278 1.381 1.00 1.26 C ATOM 0 H ILE A 36 -2.842 5.579 5.254 1.00 0.83 H new ATOM 0 HA ILE A 36 -4.453 3.458 4.406 1.00 0.90 H new ATOM 0 HB ILE A 36 -1.556 4.075 4.246 1.00 1.13 H new ATOM 0 HG12 ILE A 36 -3.919 3.382 2.459 1.00 1.18 H new ATOM 0 HG13 ILE A 36 -2.988 4.866 2.491 1.00 1.18 H new ATOM 0 HG21 ILE A 36 -0.954 1.937 3.253 1.00 2.13 H new ATOM 0 HG22 ILE A 36 -1.356 1.791 4.981 1.00 2.13 H new ATOM 0 HG23 ILE A 36 -2.524 1.260 3.748 1.00 2.13 H new ATOM 0 HD11 ILE A 36 -2.530 3.589 0.444 1.00 1.26 H new ATOM 0 HD12 ILE A 36 -1.063 3.697 1.446 1.00 1.26 H new ATOM 0 HD13 ILE A 36 -2.009 2.190 1.413 1.00 1.26 H new ATOM 85 N ARG A 37 -2.680 2.721 7.133 1.00 0.77 N ATOM 86 CA ARG A 37 -2.683 1.752 8.254 1.00 0.78 C ATOM 87 C ARG A 37 -4.110 1.512 8.779 1.00 0.75 C ATOM 88 O ARG A 37 -4.572 0.370 8.780 1.00 0.77 O ATOM 89 CB ARG A 37 -1.724 2.142 9.397 1.00 0.89 C ATOM 90 CG ARG A 37 -0.274 2.428 8.965 1.00 1.34 C ATOM 91 CD ARG A 37 0.682 2.289 10.156 1.00 2.20 C ATOM 92 NE ARG A 37 2.049 2.763 9.854 1.00 3.31 N ATOM 93 CZ ARG A 37 2.493 4.003 9.928 1.00 4.46 C ATOM 94 NH1 ARG A 37 1.754 4.995 10.327 1.00 4.96 N ATOM 95 NH2 ARG A 37 3.719 4.273 9.600 1.00 5.65 N ATOM 0 H ARG A 37 -2.012 3.486 7.231 1.00 0.77 H new ATOM 0 HA ARG A 37 -2.304 0.814 7.847 1.00 0.78 H new ATOM 0 HB2 ARG A 37 -2.119 3.027 9.896 1.00 0.89 H new ATOM 0 HB3 ARG A 37 -1.715 1.338 10.133 1.00 0.89 H new ATOM 0 HG2 ARG A 37 0.019 1.737 8.174 1.00 1.34 H new ATOM 0 HG3 ARG A 37 -0.204 3.434 8.551 1.00 1.34 H new ATOM 0 HD2 ARG A 37 0.286 2.852 11.001 1.00 2.20 H new ATOM 0 HD3 ARG A 37 0.724 1.244 10.461 1.00 2.20 H new ATOM 0 HE ARG A 37 2.721 2.056 9.557 1.00 3.31 H new ATOM 0 HH11 ARG A 37 0.785 4.831 10.600 1.00 4.96 H new ATOM 0 HH12 ARG A 37 2.143 5.937 10.367 1.00 4.96 H new ATOM 0 HH21 ARG A 37 4.339 3.527 9.285 1.00 5.65 H new ATOM 0 HH22 ARG A 37 4.063 5.232 9.657 1.00 5.65 H new ATOM 109 N THR A 38 -4.858 2.584 9.074 1.00 0.74 N ATOM 110 CA THR A 38 -6.274 2.473 9.501 1.00 0.83 C ATOM 111 C THR A 38 -7.196 1.844 8.438 1.00 0.81 C ATOM 112 O THR A 38 -7.968 0.924 8.745 1.00 0.85 O ATOM 113 CB THR A 38 -6.796 3.853 9.945 1.00 1.00 C ATOM 114 OG1 THR A 38 -6.383 4.102 11.270 1.00 1.38 O ATOM 115 CG2 THR A 38 -8.319 4.008 9.964 1.00 1.54 C ATOM 0 H THR A 38 -4.512 3.542 9.027 1.00 0.74 H new ATOM 0 HA THR A 38 -6.296 1.784 10.345 1.00 0.83 H new ATOM 0 HB THR A 38 -6.391 4.542 9.204 1.00 1.00 H new ATOM 0 HG1 THR A 38 -6.712 4.980 11.556 1.00 1.38 H new ATOM 0 HG21 THR A 38 -8.578 5.015 10.291 1.00 1.54 H new ATOM 0 HG22 THR A 38 -8.715 3.838 8.963 1.00 1.54 H new ATOM 0 HG23 THR A 38 -8.750 3.281 10.652 1.00 1.54 H new ATOM 123 N LYS A 39 -7.141 2.322 7.189 1.00 0.83 N ATOM 124 CA LYS A 39 -8.054 1.906 6.109 1.00 0.91 C ATOM 125 C LYS A 39 -7.823 0.461 5.664 1.00 0.86 C ATOM 126 O LYS A 39 -8.787 -0.246 5.373 1.00 0.94 O ATOM 127 CB LYS A 39 -7.916 2.882 4.924 1.00 1.02 C ATOM 128 CG LYS A 39 -8.548 4.270 5.167 1.00 1.50 C ATOM 129 CD LYS A 39 -10.081 4.276 5.285 1.00 1.88 C ATOM 130 CE LYS A 39 -10.741 3.797 3.988 1.00 2.66 C ATOM 131 NZ LYS A 39 -12.190 3.563 4.151 1.00 3.25 N ATOM 0 H LYS A 39 -6.455 3.016 6.893 1.00 0.83 H new ATOM 0 HA LYS A 39 -9.072 1.941 6.496 1.00 0.91 H new ATOM 0 HB2 LYS A 39 -6.858 3.012 4.697 1.00 1.02 H new ATOM 0 HB3 LYS A 39 -8.378 2.434 4.044 1.00 1.02 H new ATOM 0 HG2 LYS A 39 -8.127 4.689 6.081 1.00 1.50 H new ATOM 0 HG3 LYS A 39 -8.259 4.932 4.350 1.00 1.50 H new ATOM 0 HD2 LYS A 39 -10.387 3.633 6.110 1.00 1.88 H new ATOM 0 HD3 LYS A 39 -10.426 5.283 5.521 1.00 1.88 H new ATOM 0 HE2 LYS A 39 -10.581 4.539 3.206 1.00 2.66 H new ATOM 0 HE3 LYS A 39 -10.261 2.876 3.657 1.00 2.66 H new ATOM 0 HZ1 LYS A 39 -12.561 3.083 3.306 1.00 3.25 H new ATOM 0 HZ2 LYS A 39 -12.354 2.968 4.988 1.00 3.25 H new ATOM 0 HZ3 LYS A 39 -12.677 4.474 4.274 1.00 3.25 H new ATOM 145 N LEU A 40 -6.574 0.002 5.625 1.00 0.78 N ATOM 146 CA LEU A 40 -6.219 -1.357 5.230 1.00 0.77 C ATOM 147 C LEU A 40 -6.349 -2.349 6.402 1.00 0.73 C ATOM 148 O LEU A 40 -6.733 -3.496 6.161 1.00 0.77 O ATOM 149 CB LEU A 40 -4.842 -1.337 4.545 1.00 0.80 C ATOM 150 CG LEU A 40 -4.792 -0.723 3.122 1.00 0.77 C ATOM 151 CD1 LEU A 40 -5.479 -1.607 2.076 1.00 0.95 C ATOM 152 CD2 LEU A 40 -5.384 0.678 2.941 1.00 1.06 C ATOM 0 H LEU A 40 -5.767 0.575 5.872 1.00 0.78 H new ATOM 0 HA LEU A 40 -6.931 -1.734 4.495 1.00 0.77 H new ATOM 0 HB2 LEU A 40 -4.151 -0.783 5.181 1.00 0.80 H new ATOM 0 HB3 LEU A 40 -4.473 -2.361 4.489 1.00 0.80 H new ATOM 0 HG LEU A 40 -3.714 -0.651 2.977 1.00 0.77 H new ATOM 0 HD11 LEU A 40 -5.415 -1.130 1.098 1.00 0.95 H new ATOM 0 HD12 LEU A 40 -4.985 -2.578 2.039 1.00 0.95 H new ATOM 0 HD13 LEU A 40 -6.526 -1.743 2.346 1.00 0.95 H new ATOM 0 HD21 LEU A 40 -5.283 0.984 1.900 1.00 1.06 H new ATOM 0 HD22 LEU A 40 -6.439 0.665 3.214 1.00 1.06 H new ATOM 0 HD23 LEU A 40 -4.852 1.383 3.580 1.00 1.06 H new ATOM 164 N GLU A 41 -6.179 -1.911 7.662 1.00 0.71 N ATOM 165 CA GLU A 41 -6.761 -2.638 8.804 1.00 0.77 C ATOM 166 C GLU A 41 -8.271 -2.864 8.622 1.00 0.88 C ATOM 167 O GLU A 41 -8.735 -3.985 8.829 1.00 0.98 O ATOM 168 CB GLU A 41 -6.576 -1.882 10.125 1.00 0.95 C ATOM 169 CG GLU A 41 -5.281 -2.142 10.889 1.00 1.26 C ATOM 170 CD GLU A 41 -5.391 -1.399 12.223 1.00 1.88 C ATOM 171 OE1 GLU A 41 -6.009 -1.949 13.165 1.00 2.79 O ATOM 172 OE2 GLU A 41 -4.950 -0.228 12.321 1.00 2.70 O ATOM 0 H GLU A 41 -5.654 -1.073 7.913 1.00 0.71 H new ATOM 0 HA GLU A 41 -6.232 -3.590 8.840 1.00 0.77 H new ATOM 0 HB2 GLU A 41 -6.640 -0.814 9.917 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -7.412 -2.130 10.779 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -5.138 -3.210 11.053 1.00 1.26 H new ATOM 0 HG3 GLU A 41 -4.421 -1.789 10.321 1.00 1.26 H new ATOM 179 N GLU A 42 -9.035 -1.842 8.210 1.00 0.93 N ATOM 180 CA GLU A 42 -10.469 -2.011 7.925 1.00 1.09 C ATOM 181 C GLU A 42 -10.717 -3.007 6.770 1.00 1.11 C ATOM 182 O GLU A 42 -11.614 -3.849 6.875 1.00 1.25 O ATOM 183 CB GLU A 42 -11.140 -0.623 7.745 1.00 1.24 C ATOM 184 CG GLU A 42 -12.121 -0.487 6.570 1.00 2.31 C ATOM 185 CD GLU A 42 -12.946 0.808 6.645 1.00 2.52 C ATOM 186 OE1 GLU A 42 -12.411 1.917 6.410 1.00 3.17 O ATOM 187 OE2 GLU A 42 -14.172 0.738 6.917 1.00 3.05 O ATOM 0 H GLU A 42 -8.687 -0.894 8.067 1.00 0.93 H new ATOM 0 HA GLU A 42 -10.957 -2.477 8.781 1.00 1.09 H new ATOM 0 HB2 GLU A 42 -11.672 -0.379 8.664 1.00 1.24 H new ATOM 0 HB3 GLU A 42 -10.355 0.123 7.623 1.00 1.24 H new ATOM 0 HG2 GLU A 42 -11.566 -0.508 5.632 1.00 2.31 H new ATOM 0 HG3 GLU A 42 -12.794 -1.344 6.561 1.00 2.31 H new ATOM 194 N ALA A 43 -9.916 -2.943 5.700 1.00 1.03 N ATOM 195 CA ALA A 43 -10.158 -3.666 4.447 1.00 1.10 C ATOM 196 C ALA A 43 -9.767 -5.158 4.429 1.00 1.06 C ATOM 197 O ALA A 43 -10.540 -5.967 3.910 1.00 1.23 O ATOM 198 CB ALA A 43 -9.430 -2.923 3.324 1.00 1.12 C ATOM 0 H ALA A 43 -9.067 -2.378 5.681 1.00 1.03 H new ATOM 0 HA ALA A 43 -11.240 -3.679 4.315 1.00 1.10 H new ATOM 0 HB1 ALA A 43 -9.594 -3.441 2.379 1.00 1.12 H new ATOM 0 HB2 ALA A 43 -9.815 -1.906 3.252 1.00 1.12 H new ATOM 0 HB3 ALA A 43 -8.362 -2.892 3.540 1.00 1.12 H new ATOM 204 N LEU A 44 -8.572 -5.538 4.914 1.00 0.92 N ATOM 205 CA LEU A 44 -8.067 -6.921 4.798 1.00 0.98 C ATOM 206 C LEU A 44 -7.535 -7.545 6.093 1.00 0.99 C ATOM 207 O LEU A 44 -7.330 -8.758 6.138 1.00 1.26 O ATOM 208 CB LEU A 44 -7.045 -7.056 3.654 1.00 1.08 C ATOM 209 CG LEU A 44 -5.678 -6.391 3.889 1.00 1.14 C ATOM 210 CD1 LEU A 44 -4.569 -7.171 3.188 1.00 1.06 C ATOM 211 CD2 LEU A 44 -5.667 -4.976 3.328 1.00 1.53 C ATOM 0 H LEU A 44 -7.933 -4.904 5.393 1.00 0.92 H new ATOM 0 HA LEU A 44 -8.954 -7.507 4.558 1.00 0.98 H new ATOM 0 HB2 LEU A 44 -6.883 -8.117 3.462 1.00 1.08 H new ATOM 0 HB3 LEU A 44 -7.483 -6.632 2.750 1.00 1.08 H new ATOM 0 HG LEU A 44 -5.508 -6.376 4.966 1.00 1.14 H new ATOM 0 HD11 LEU A 44 -3.611 -6.683 3.368 1.00 1.06 H new ATOM 0 HD12 LEU A 44 -4.537 -8.188 3.579 1.00 1.06 H new ATOM 0 HD13 LEU A 44 -4.766 -7.200 2.116 1.00 1.06 H new ATOM 0 HD21 LEU A 44 -4.692 -4.522 3.504 1.00 1.53 H new ATOM 0 HD22 LEU A 44 -5.864 -5.008 2.256 1.00 1.53 H new ATOM 0 HD23 LEU A 44 -6.437 -4.383 3.821 1.00 1.53 H new ATOM 223 N SER A 45 -7.314 -6.737 7.134 1.00 0.91 N ATOM 224 CA SER A 45 -6.710 -7.171 8.406 1.00 1.02 C ATOM 225 C SER A 45 -5.270 -7.734 8.268 1.00 0.94 C ATOM 226 O SER A 45 -5.054 -8.927 8.491 1.00 1.17 O ATOM 227 CB SER A 45 -7.634 -8.149 9.129 1.00 1.35 C ATOM 228 OG SER A 45 -8.963 -7.651 9.192 1.00 1.96 O ATOM 0 H SER A 45 -7.552 -5.745 7.120 1.00 0.91 H new ATOM 0 HA SER A 45 -6.599 -6.273 9.013 1.00 1.02 H new ATOM 0 HB2 SER A 45 -7.627 -9.109 8.613 1.00 1.35 H new ATOM 0 HB3 SER A 45 -7.262 -8.327 10.138 1.00 1.35 H new ATOM 0 HG SER A 45 -9.533 -8.298 9.658 1.00 1.96 H new ATOM 234 N PRO A 46 -4.265 -6.906 7.902 1.00 0.74 N ATOM 235 CA PRO A 46 -2.868 -7.331 7.695 1.00 0.67 C ATOM 236 C PRO A 46 -2.212 -8.083 8.872 1.00 0.76 C ATOM 237 O PRO A 46 -2.545 -7.840 10.035 1.00 0.93 O ATOM 238 CB PRO A 46 -2.101 -6.024 7.477 1.00 0.67 C ATOM 239 CG PRO A 46 -3.118 -5.052 6.906 1.00 0.70 C ATOM 240 CD PRO A 46 -4.395 -5.478 7.627 1.00 0.72 C ATOM 0 HA PRO A 46 -2.845 -8.042 6.869 1.00 0.67 H new ATOM 0 HB2 PRO A 46 -1.684 -5.652 8.413 1.00 0.67 H new ATOM 0 HB3 PRO A 46 -1.266 -6.168 6.791 1.00 0.67 H new ATOM 0 HG2 PRO A 46 -2.856 -4.015 7.117 1.00 0.70 H new ATOM 0 HG3 PRO A 46 -3.209 -5.144 5.824 1.00 0.70 H new ATOM 0 HD2 PRO A 46 -4.523 -4.916 8.552 1.00 0.72 H new ATOM 0 HD3 PRO A 46 -5.272 -5.281 7.010 1.00 0.72 H new ATOM 248 N GLU A 47 -1.170 -8.881 8.596 1.00 0.79 N ATOM 249 CA GLU A 47 -0.106 -9.085 9.603 1.00 0.81 C ATOM 250 C GLU A 47 0.822 -7.877 9.633 1.00 0.76 C ATOM 251 O GLU A 47 1.255 -7.442 10.699 1.00 0.88 O ATOM 252 CB GLU A 47 0.867 -10.240 9.340 1.00 1.01 C ATOM 253 CG GLU A 47 0.567 -11.277 8.314 1.00 1.62 C ATOM 254 CD GLU A 47 -0.614 -12.187 8.689 1.00 2.18 C ATOM 255 OE1 GLU A 47 -1.669 -12.169 8.008 1.00 3.39 O ATOM 256 OE2 GLU A 47 -0.487 -12.963 9.665 1.00 2.16 O ATOM 0 H GLU A 47 -1.038 -9.382 7.717 1.00 0.79 H new ATOM 0 HA GLU A 47 -0.678 -9.278 10.511 1.00 0.81 H new ATOM 0 HB2 GLU A 47 1.826 -9.795 9.074 1.00 1.01 H new ATOM 0 HB3 GLU A 47 1.009 -10.760 10.287 1.00 1.01 H new ATOM 0 HG2 GLU A 47 0.350 -10.786 7.365 1.00 1.62 H new ATOM 0 HG3 GLU A 47 1.454 -11.891 8.160 1.00 1.62 H new ATOM 263 N VAL A 48 1.201 -7.432 8.426 1.00 0.69 N ATOM 264 CA VAL A 48 2.384 -6.613 8.212 1.00 0.70 C ATOM 265 C VAL A 48 2.138 -5.376 7.352 1.00 0.80 C ATOM 266 O VAL A 48 1.585 -5.456 6.254 1.00 1.23 O ATOM 267 CB VAL A 48 3.543 -7.437 7.594 1.00 1.12 C ATOM 268 CG1 VAL A 48 4.649 -7.410 8.585 1.00 0.83 C ATOM 269 CG2 VAL A 48 3.477 -8.965 7.376 1.00 2.50 C ATOM 0 H VAL A 48 0.685 -7.637 7.570 1.00 0.69 H new ATOM 0 HA VAL A 48 2.661 -6.266 9.207 1.00 0.70 H new ATOM 0 HB VAL A 48 3.591 -6.970 6.611 1.00 1.12 H new ATOM 0 HG11 VAL A 48 5.496 -7.978 8.200 1.00 0.83 H new ATOM 0 HG12 VAL A 48 4.954 -6.379 8.762 1.00 0.83 H new ATOM 0 HG13 VAL A 48 4.310 -7.854 9.521 1.00 0.83 H new ATOM 0 HG21 VAL A 48 4.410 -9.309 6.930 1.00 2.50 H new ATOM 0 HG22 VAL A 48 3.327 -9.463 8.334 1.00 2.50 H new ATOM 0 HG23 VAL A 48 2.647 -9.202 6.710 1.00 2.50 H new ATOM 279 N LEU A 49 2.649 -4.246 7.841 1.00 0.74 N ATOM 280 CA LEU A 49 2.811 -2.989 7.121 1.00 0.79 C ATOM 281 C LEU A 49 4.222 -2.435 7.361 1.00 0.93 C ATOM 282 O LEU A 49 4.601 -2.233 8.513 1.00 1.35 O ATOM 283 CB LEU A 49 1.802 -1.941 7.645 1.00 1.51 C ATOM 284 CG LEU A 49 0.301 -2.244 7.481 1.00 1.25 C ATOM 285 CD1 LEU A 49 -0.482 -1.507 8.572 1.00 2.22 C ATOM 286 CD2 LEU A 49 -0.217 -1.771 6.117 1.00 1.22 C ATOM 0 H LEU A 49 2.978 -4.183 8.804 1.00 0.74 H new ATOM 0 HA LEU A 49 2.644 -3.178 6.061 1.00 0.79 H new ATOM 0 HB2 LEU A 49 1.999 -1.788 8.706 1.00 1.51 H new ATOM 0 HB3 LEU A 49 2.010 -0.996 7.143 1.00 1.51 H new ATOM 0 HG LEU A 49 0.163 -3.323 7.558 1.00 1.25 H new ATOM 0 HD11 LEU A 49 -1.546 -1.717 8.461 1.00 2.22 H new ATOM 0 HD12 LEU A 49 -0.145 -1.844 9.552 1.00 2.22 H new ATOM 0 HD13 LEU A 49 -0.313 -0.434 8.480 1.00 2.22 H new ATOM 0 HD21 LEU A 49 -1.279 -1.999 6.032 1.00 1.22 H new ATOM 0 HD22 LEU A 49 -0.069 -0.695 6.025 1.00 1.22 H new ATOM 0 HD23 LEU A 49 0.328 -2.282 5.324 1.00 1.22 H new ATOM 298 N GLU A 50 4.956 -2.084 6.305 1.00 0.73 N ATOM 299 CA GLU A 50 6.030 -1.090 6.370 1.00 0.71 C ATOM 300 C GLU A 50 6.005 -0.183 5.133 1.00 0.68 C ATOM 301 O GLU A 50 6.108 -0.632 3.994 1.00 0.76 O ATOM 302 CB GLU A 50 7.408 -1.725 6.463 1.00 0.78 C ATOM 303 CG GLU A 50 7.653 -2.573 7.723 1.00 0.88 C ATOM 304 CD GLU A 50 9.135 -2.792 8.077 1.00 1.24 C ATOM 305 OE1 GLU A 50 10.037 -2.352 7.324 1.00 2.18 O ATOM 306 OE2 GLU A 50 9.431 -3.383 9.145 1.00 2.36 O ATOM 0 H GLU A 50 4.822 -2.482 5.376 1.00 0.73 H new ATOM 0 HA GLU A 50 5.850 -0.511 7.276 1.00 0.71 H new ATOM 0 HB2 GLU A 50 7.561 -2.353 5.586 1.00 0.78 H new ATOM 0 HB3 GLU A 50 8.158 -0.935 6.424 1.00 0.78 H new ATOM 0 HG2 GLU A 50 7.159 -2.093 8.568 1.00 0.88 H new ATOM 0 HG3 GLU A 50 7.179 -3.545 7.587 1.00 0.88 H new ATOM 313 N LEU A 51 5.810 1.108 5.357 1.00 0.69 N ATOM 314 CA LEU A 51 5.471 2.073 4.301 1.00 0.69 C ATOM 315 C LEU A 51 5.995 3.504 4.510 1.00 0.86 C ATOM 316 O LEU A 51 6.422 3.870 5.611 1.00 0.97 O ATOM 317 CB LEU A 51 3.958 2.007 4.028 1.00 0.70 C ATOM 318 CG LEU A 51 3.064 2.812 4.971 1.00 0.91 C ATOM 319 CD1 LEU A 51 1.606 2.686 4.539 1.00 1.25 C ATOM 320 CD2 LEU A 51 3.176 2.394 6.433 1.00 1.09 C ATOM 0 H LEU A 51 5.882 1.528 6.284 1.00 0.69 H new ATOM 0 HA LEU A 51 6.015 1.768 3.407 1.00 0.69 H new ATOM 0 HB2 LEU A 51 3.779 2.351 3.009 1.00 0.70 H new ATOM 0 HB3 LEU A 51 3.648 0.963 4.071 1.00 0.70 H new ATOM 0 HG LEU A 51 3.411 3.843 4.902 1.00 0.91 H new ATOM 0 HD11 LEU A 51 0.975 3.262 5.216 1.00 1.25 H new ATOM 0 HD12 LEU A 51 1.493 3.067 3.524 1.00 1.25 H new ATOM 0 HD13 LEU A 51 1.307 1.638 4.568 1.00 1.25 H new ATOM 0 HD21 LEU A 51 2.512 3.010 7.040 1.00 1.09 H new ATOM 0 HD22 LEU A 51 2.892 1.347 6.535 1.00 1.09 H new ATOM 0 HD23 LEU A 51 4.204 2.526 6.771 1.00 1.09 H new ATOM 332 N ARG A 52 5.957 4.309 3.439 1.00 0.94 N ATOM 333 CA ARG A 52 6.509 5.665 3.338 1.00 1.04 C ATOM 334 C ARG A 52 5.773 6.492 2.285 1.00 1.12 C ATOM 335 O ARG A 52 5.429 5.966 1.228 1.00 1.16 O ATOM 336 CB ARG A 52 7.969 5.576 2.876 1.00 1.12 C ATOM 337 CG ARG A 52 8.885 4.773 3.809 1.00 2.09 C ATOM 338 CD ARG A 52 10.365 4.929 3.462 1.00 2.25 C ATOM 339 NE ARG A 52 10.644 4.753 2.026 1.00 3.69 N ATOM 340 CZ ARG A 52 10.876 5.707 1.142 1.00 4.62 C ATOM 341 NH1 ARG A 52 10.804 6.979 1.421 1.00 4.62 N ATOM 342 NH2 ARG A 52 11.170 5.390 -0.080 1.00 6.34 N ATOM 0 H ARG A 52 5.514 4.012 2.569 1.00 0.94 H new ATOM 0 HA ARG A 52 6.409 6.133 4.317 1.00 1.04 H new ATOM 0 HB2 ARG A 52 7.996 5.124 1.884 1.00 1.12 H new ATOM 0 HB3 ARG A 52 8.368 6.586 2.777 1.00 1.12 H new ATOM 0 HG2 ARG A 52 8.721 5.095 4.837 1.00 2.09 H new ATOM 0 HG3 ARG A 52 8.614 3.719 3.758 1.00 2.09 H new ATOM 0 HD2 ARG A 52 10.703 5.918 3.773 1.00 2.25 H new ATOM 0 HD3 ARG A 52 10.944 4.201 4.030 1.00 2.25 H new ATOM 0 HE ARG A 52 10.660 3.794 1.678 1.00 3.69 H new ATOM 0 HH11 ARG A 52 10.558 7.281 2.364 1.00 4.62 H new ATOM 0 HH12 ARG A 52 10.994 7.672 0.697 1.00 4.62 H new ATOM 0 HH21 ARG A 52 11.221 4.409 -0.354 1.00 6.34 H new ATOM 0 HH22 ARG A 52 11.350 6.122 -0.767 1.00 6.34 H new ATOM 356 N ASN A 53 5.613 7.796 2.493 1.00 1.16 N ATOM 357 CA ASN A 53 5.292 8.742 1.421 1.00 1.13 C ATOM 358 C ASN A 53 6.519 9.611 1.075 1.00 1.34 C ATOM 359 O ASN A 53 6.992 10.413 1.876 1.00 2.00 O ATOM 360 CB ASN A 53 3.941 9.421 1.721 1.00 1.42 C ATOM 361 CG ASN A 53 3.890 10.935 1.584 1.00 1.99 C ATOM 362 OD1 ASN A 53 3.520 11.477 0.555 1.00 3.54 O ATOM 363 ND2 ASN A 53 4.256 11.665 2.610 1.00 1.06 N ATOM 0 H ASN A 53 5.702 8.231 3.411 1.00 1.16 H new ATOM 0 HA ASN A 53 5.104 8.254 0.465 1.00 1.13 H new ATOM 0 HB2 ASN A 53 3.191 8.994 1.055 1.00 1.42 H new ATOM 0 HB3 ASN A 53 3.649 9.162 2.739 1.00 1.42 H new ATOM 0 HD21 ASN A 53 4.231 12.683 2.547 1.00 1.06 H new ATOM 0 HD22 ASN A 53 4.566 11.215 3.471 1.00 1.06 H new ATOM 370 N GLU A 54 7.059 9.403 -0.126 1.00 1.08 N ATOM 371 CA GLU A 54 8.327 9.983 -0.627 1.00 1.38 C ATOM 372 C GLU A 54 8.206 11.489 -0.946 1.00 1.42 C ATOM 373 O GLU A 54 9.196 12.203 -1.072 1.00 1.76 O ATOM 374 CB GLU A 54 8.744 9.194 -1.885 1.00 1.47 C ATOM 375 CG GLU A 54 10.201 9.391 -2.333 1.00 2.29 C ATOM 376 CD GLU A 54 11.177 8.503 -1.561 1.00 3.95 C ATOM 377 OE1 GLU A 54 11.447 7.364 -2.007 1.00 4.07 O ATOM 378 OE2 GLU A 54 11.679 8.910 -0.482 1.00 5.62 O ATOM 0 H GLU A 54 6.612 8.799 -0.816 1.00 1.08 H new ATOM 0 HA GLU A 54 9.084 9.901 0.153 1.00 1.38 H new ATOM 0 HB2 GLU A 54 8.579 8.133 -1.699 1.00 1.47 H new ATOM 0 HB3 GLU A 54 8.087 9.479 -2.707 1.00 1.47 H new ATOM 0 HG2 GLU A 54 10.282 9.174 -3.398 1.00 2.29 H new ATOM 0 HG3 GLU A 54 10.481 10.436 -2.198 1.00 2.29 H new ATOM 385 N SER A 55 6.971 11.976 -1.037 1.00 1.13 N ATOM 386 CA SER A 55 6.521 13.328 -1.385 1.00 1.19 C ATOM 387 C SER A 55 7.137 14.514 -0.621 1.00 1.56 C ATOM 388 O SER A 55 6.823 15.661 -0.943 1.00 1.95 O ATOM 389 CB SER A 55 5.007 13.308 -1.246 1.00 1.05 C ATOM 390 OG SER A 55 4.388 14.276 -2.054 1.00 1.66 O ATOM 0 H SER A 55 6.172 11.370 -0.849 1.00 1.13 H new ATOM 0 HA SER A 55 6.875 13.530 -2.396 1.00 1.19 H new ATOM 0 HB2 SER A 55 4.632 12.320 -1.513 1.00 1.05 H new ATOM 0 HB3 SER A 55 4.737 13.480 -0.204 1.00 1.05 H new ATOM 0 HG SER A 55 3.960 14.951 -1.487 1.00 1.66 H new ATOM 396 N GLY A 56 7.976 14.289 0.397 1.00 1.63 N ATOM 397 CA GLY A 56 8.843 15.348 0.933 1.00 1.93 C ATOM 398 C GLY A 56 9.972 15.757 -0.032 1.00 2.05 C ATOM 399 O GLY A 56 10.417 16.908 0.003 1.00 2.33 O ATOM 0 H GLY A 56 8.074 13.388 0.865 1.00 1.63 H new ATOM 0 HA2 GLY A 56 8.236 16.224 1.163 1.00 1.93 H new ATOM 0 HA3 GLY A 56 9.282 15.009 1.871 1.00 1.93 H new ATOM 403 N GLY A 57 10.335 14.893 -0.986 1.00 1.94 N ATOM 404 CA GLY A 57 11.118 15.238 -2.179 1.00 2.10 C ATOM 405 C GLY A 57 10.237 15.795 -3.305 1.00 2.08 C ATOM 406 O GLY A 57 9.158 16.324 -3.040 1.00 3.83 O ATOM 0 H GLY A 57 10.085 13.905 -0.949 1.00 1.94 H new ATOM 0 HA2 GLY A 57 11.876 15.975 -1.914 1.00 2.10 H new ATOM 0 HA3 GLY A 57 11.645 14.353 -2.535 1.00 2.10 H new ATOM 410 N HIS A 58 10.675 15.624 -4.557 1.00 1.22 N ATOM 411 CA HIS A 58 9.937 15.937 -5.796 1.00 1.36 C ATOM 412 C HIS A 58 9.554 17.427 -5.987 1.00 1.44 C ATOM 413 O HIS A 58 9.586 18.238 -5.056 1.00 1.62 O ATOM 414 CB HIS A 58 8.758 14.949 -5.953 1.00 1.49 C ATOM 415 CG HIS A 58 9.194 13.502 -5.842 1.00 1.88 C ATOM 416 ND1 HIS A 58 9.872 12.763 -6.790 1.00 2.66 N ATOM 417 CD2 HIS A 58 9.084 12.709 -4.730 1.00 1.81 C ATOM 418 CE1 HIS A 58 10.173 11.569 -6.256 1.00 2.98 C ATOM 419 NE2 HIS A 58 9.731 11.493 -4.990 1.00 2.56 N ATOM 0 H HIS A 58 11.602 15.244 -4.749 1.00 1.22 H new ATOM 0 HA HIS A 58 10.626 15.788 -6.627 1.00 1.36 H new ATOM 0 HB2 HIS A 58 8.009 15.159 -5.190 1.00 1.49 H new ATOM 0 HB3 HIS A 58 8.281 15.108 -6.920 1.00 1.49 H new ATOM 0 HD1 HIS A 58 10.104 13.071 -7.734 1.00 2.66 H new ATOM 0 HD2 HIS A 58 8.584 12.975 -3.810 1.00 1.81 H new ATOM 0 HE1 HIS A 58 10.698 10.779 -6.773 1.00 2.98 H new ATOM 427 N ALA A 59 9.223 17.823 -7.221 1.00 2.29 N ATOM 428 CA ALA A 59 8.904 19.206 -7.597 1.00 2.77 C ATOM 429 C ALA A 59 7.430 19.548 -7.293 1.00 2.74 C ATOM 430 O ALA A 59 6.617 19.790 -8.194 1.00 3.48 O ATOM 431 CB ALA A 59 9.323 19.437 -9.055 1.00 3.39 C ATOM 0 H ALA A 59 9.168 17.174 -8.006 1.00 2.29 H new ATOM 0 HA ALA A 59 9.475 19.906 -6.987 1.00 2.77 H new ATOM 0 HB1 ALA A 59 9.090 20.462 -9.343 1.00 3.39 H new ATOM 0 HB2 ALA A 59 10.395 19.267 -9.157 1.00 3.39 H new ATOM 0 HB3 ALA A 59 8.783 18.747 -9.703 1.00 3.39 H new ATOM 437 N VAL A 60 7.080 19.505 -6.005 1.00 2.01 N ATOM 438 CA VAL A 60 5.711 19.609 -5.461 1.00 1.83 C ATOM 439 C VAL A 60 5.603 20.718 -4.396 1.00 1.91 C ATOM 440 O VAL A 60 6.637 21.209 -3.923 1.00 2.20 O ATOM 441 CB VAL A 60 5.240 18.244 -4.900 1.00 1.52 C ATOM 442 CG1 VAL A 60 5.267 17.154 -5.981 1.00 1.62 C ATOM 443 CG2 VAL A 60 6.064 17.764 -3.701 1.00 1.35 C ATOM 0 H VAL A 60 7.777 19.391 -5.269 1.00 2.01 H new ATOM 0 HA VAL A 60 5.049 19.887 -6.281 1.00 1.83 H new ATOM 0 HB VAL A 60 4.217 18.413 -4.563 1.00 1.52 H new ATOM 0 HG11 VAL A 60 4.931 16.209 -5.554 1.00 1.62 H new ATOM 0 HG12 VAL A 60 4.606 17.437 -6.800 1.00 1.62 H new ATOM 0 HG13 VAL A 60 6.283 17.040 -6.358 1.00 1.62 H new ATOM 0 HG21 VAL A 60 5.681 16.803 -3.358 1.00 1.35 H new ATOM 0 HG22 VAL A 60 7.107 17.654 -3.997 1.00 1.35 H new ATOM 0 HG23 VAL A 60 5.991 18.493 -2.894 1.00 1.35 H new ATOM 453 N PRO A 61 4.390 21.147 -3.996 1.00 1.84 N ATOM 454 CA PRO A 61 4.215 22.090 -2.890 1.00 1.93 C ATOM 455 C PRO A 61 4.629 21.467 -1.538 1.00 1.97 C ATOM 456 O PRO A 61 4.310 20.299 -1.290 1.00 1.78 O ATOM 457 CB PRO A 61 2.731 22.481 -2.905 1.00 1.98 C ATOM 458 CG PRO A 61 2.265 22.126 -4.316 1.00 2.04 C ATOM 459 CD PRO A 61 3.103 20.889 -4.627 1.00 1.84 C ATOM 0 HA PRO A 61 4.854 22.964 -3.011 1.00 1.93 H new ATOM 0 HB2 PRO A 61 2.167 21.934 -2.150 1.00 1.98 H new ATOM 0 HB3 PRO A 61 2.596 23.542 -2.696 1.00 1.98 H new ATOM 0 HG2 PRO A 61 1.196 21.914 -4.351 1.00 2.04 H new ATOM 0 HG3 PRO A 61 2.453 22.934 -5.023 1.00 2.04 H new ATOM 0 HD2 PRO A 61 2.640 19.986 -4.228 1.00 1.84 H new ATOM 0 HD3 PRO A 61 3.211 20.744 -5.702 1.00 1.84 H new ATOM 467 N PRO A 62 5.307 22.209 -0.639 1.00 2.35 N ATOM 468 CA PRO A 62 5.742 21.684 0.654 1.00 2.63 C ATOM 469 C PRO A 62 4.548 21.297 1.537 1.00 2.44 C ATOM 470 O PRO A 62 3.551 22.022 1.633 1.00 2.38 O ATOM 471 CB PRO A 62 6.613 22.776 1.284 1.00 3.20 C ATOM 472 CG PRO A 62 6.096 24.056 0.634 1.00 2.94 C ATOM 473 CD PRO A 62 5.709 23.600 -0.775 1.00 2.64 C ATOM 0 HA PRO A 62 6.312 20.762 0.539 1.00 2.63 H new ATOM 0 HB2 PRO A 62 6.503 22.803 2.368 1.00 3.20 H new ATOM 0 HB3 PRO A 62 7.671 22.617 1.075 1.00 3.20 H new ATOM 0 HG2 PRO A 62 5.242 24.465 1.174 1.00 2.94 H new ATOM 0 HG3 PRO A 62 6.860 24.833 0.610 1.00 2.94 H new ATOM 0 HD2 PRO A 62 4.895 24.206 -1.174 1.00 2.64 H new ATOM 0 HD3 PRO A 62 6.548 23.700 -1.464 1.00 2.64 H new ATOM 481 N GLY A 63 4.637 20.127 2.167 1.00 2.49 N ATOM 482 CA GLY A 63 3.546 19.516 2.926 1.00 2.46 C ATOM 483 C GLY A 63 2.418 18.928 2.070 1.00 1.91 C ATOM 484 O GLY A 63 1.370 18.597 2.620 1.00 2.02 O ATOM 0 H GLY A 63 5.488 19.565 2.164 1.00 2.49 H new ATOM 0 HA2 GLY A 63 3.957 18.725 3.553 1.00 2.46 H new ATOM 0 HA3 GLY A 63 3.123 20.266 3.595 1.00 2.46 H new ATOM 488 N SER A 64 2.565 18.825 0.740 1.00 1.53 N ATOM 489 CA SER A 64 1.630 18.074 -0.109 1.00 1.16 C ATOM 490 C SER A 64 2.017 16.593 -0.153 1.00 1.00 C ATOM 491 O SER A 64 3.142 16.249 -0.529 1.00 1.33 O ATOM 492 CB SER A 64 1.562 18.663 -1.522 1.00 1.18 C ATOM 493 OG SER A 64 0.331 18.277 -2.105 1.00 1.86 O ATOM 0 H SER A 64 3.332 19.258 0.226 1.00 1.53 H new ATOM 0 HA SER A 64 0.636 18.158 0.330 1.00 1.16 H new ATOM 0 HB2 SER A 64 1.640 19.750 -1.485 1.00 1.18 H new ATOM 0 HB3 SER A 64 2.397 18.304 -2.124 1.00 1.18 H new ATOM 0 HG SER A 64 0.268 18.646 -3.011 1.00 1.86 H new ATOM 499 N GLU A 65 1.101 15.711 0.243 1.00 1.05 N ATOM 500 CA GLU A 65 1.283 14.251 0.261 1.00 1.06 C ATOM 501 C GLU A 65 0.706 13.644 -1.037 1.00 1.12 C ATOM 502 O GLU A 65 -0.497 13.399 -1.136 1.00 1.65 O ATOM 503 CB GLU A 65 0.636 13.670 1.538 1.00 1.27 C ATOM 504 CG GLU A 65 1.314 14.178 2.825 1.00 1.27 C ATOM 505 CD GLU A 65 0.694 13.577 4.095 1.00 1.37 C ATOM 506 OE1 GLU A 65 -0.214 14.205 4.696 1.00 2.28 O ATOM 507 OE2 GLU A 65 1.142 12.493 4.540 1.00 1.94 O ATOM 0 H GLU A 65 0.179 15.997 0.572 1.00 1.05 H new ATOM 0 HA GLU A 65 2.342 13.993 0.291 1.00 1.06 H new ATOM 0 HB2 GLU A 65 -0.421 13.935 1.559 1.00 1.27 H new ATOM 0 HB3 GLU A 65 0.691 12.582 1.507 1.00 1.27 H new ATOM 0 HG2 GLU A 65 2.376 13.934 2.793 1.00 1.27 H new ATOM 0 HG3 GLU A 65 1.238 15.265 2.867 1.00 1.27 H new ATOM 514 N THR A 66 1.541 13.463 -2.071 1.00 0.90 N ATOM 515 CA THR A 66 1.129 13.062 -3.438 1.00 0.90 C ATOM 516 C THR A 66 1.871 11.809 -3.967 1.00 0.66 C ATOM 517 O THR A 66 1.534 11.268 -5.025 1.00 0.80 O ATOM 518 CB THR A 66 1.184 14.283 -4.394 1.00 1.22 C ATOM 519 OG1 THR A 66 1.060 13.946 -5.738 1.00 2.70 O ATOM 520 CG2 THR A 66 2.457 15.127 -4.314 1.00 1.20 C ATOM 0 H THR A 66 2.549 13.593 -1.985 1.00 0.90 H new ATOM 0 HA THR A 66 0.090 12.736 -3.391 1.00 0.90 H new ATOM 0 HB THR A 66 0.331 14.858 -4.035 1.00 1.22 H new ATOM 0 HG1 THR A 66 1.233 12.988 -5.852 1.00 2.70 H new ATOM 0 HG21 THR A 66 2.391 15.953 -5.022 1.00 1.20 H new ATOM 0 HG22 THR A 66 2.568 15.523 -3.305 1.00 1.20 H new ATOM 0 HG23 THR A 66 3.320 14.508 -4.558 1.00 1.20 H new ATOM 528 N HIS A 67 2.845 11.287 -3.213 1.00 0.58 N ATOM 529 CA HIS A 67 3.828 10.306 -3.696 1.00 0.56 C ATOM 530 C HIS A 67 4.061 9.177 -2.677 1.00 0.53 C ATOM 531 O HIS A 67 4.479 9.455 -1.552 1.00 0.65 O ATOM 532 CB HIS A 67 5.137 11.071 -3.952 1.00 0.76 C ATOM 533 CG HIS A 67 5.712 10.868 -5.322 1.00 1.00 C ATOM 534 ND1 HIS A 67 6.935 10.343 -5.669 1.00 1.37 N ATOM 535 CD2 HIS A 67 5.096 11.256 -6.476 1.00 1.06 C ATOM 536 CE1 HIS A 67 7.054 10.411 -7.003 1.00 1.59 C ATOM 537 NE2 HIS A 67 5.955 10.965 -7.547 1.00 1.44 N ATOM 0 H HIS A 67 2.976 11.538 -2.233 1.00 0.58 H new ATOM 0 HA HIS A 67 3.459 9.831 -4.605 1.00 0.56 H new ATOM 0 HB2 HIS A 67 4.958 12.135 -3.800 1.00 0.76 H new ATOM 0 HB3 HIS A 67 5.875 10.763 -3.211 1.00 0.76 H new ATOM 0 HD1 HIS A 67 7.630 9.967 -5.024 1.00 1.37 H new ATOM 0 HD2 HIS A 67 4.118 11.708 -6.552 1.00 1.06 H new ATOM 0 HE1 HIS A 67 7.912 10.069 -7.563 1.00 1.59 H new ATOM 545 N PHE A 68 3.857 7.911 -3.059 1.00 0.48 N ATOM 546 CA PHE A 68 3.651 6.830 -2.077 1.00 0.55 C ATOM 547 C PHE A 68 4.431 5.525 -2.364 1.00 0.48 C ATOM 548 O PHE A 68 4.620 5.128 -3.518 1.00 0.62 O ATOM 549 CB PHE A 68 2.132 6.557 -2.003 1.00 0.87 C ATOM 550 CG PHE A 68 1.441 6.344 -0.660 1.00 1.17 C ATOM 551 CD1 PHE A 68 0.043 6.190 -0.687 1.00 3.01 C ATOM 552 CD2 PHE A 68 2.103 6.356 0.591 1.00 1.61 C ATOM 553 CE1 PHE A 68 -0.687 6.093 0.503 1.00 3.55 C ATOM 554 CE2 PHE A 68 1.377 6.203 1.789 1.00 1.87 C ATOM 555 CZ PHE A 68 -0.023 6.086 1.736 1.00 2.40 C ATOM 0 H PHE A 68 3.829 7.607 -4.032 1.00 0.48 H new ATOM 0 HA PHE A 68 4.054 7.171 -1.123 1.00 0.55 H new ATOM 0 HB2 PHE A 68 1.632 7.394 -2.491 1.00 0.87 H new ATOM 0 HB3 PHE A 68 1.936 5.672 -2.608 1.00 0.87 H new ATOM 0 HD1 PHE A 68 -0.472 6.146 -1.635 1.00 3.01 H new ATOM 0 HD2 PHE A 68 3.175 6.484 0.628 1.00 1.61 H new ATOM 0 HE1 PHE A 68 -1.764 6.023 0.470 1.00 3.55 H new ATOM 0 HE2 PHE A 68 1.891 6.176 2.738 1.00 1.87 H new ATOM 0 HZ PHE A 68 -0.589 5.990 2.651 1.00 2.40 H new ATOM 565 N ARG A 69 4.843 4.816 -1.307 1.00 0.57 N ATOM 566 CA ARG A 69 5.543 3.519 -1.369 1.00 0.54 C ATOM 567 C ARG A 69 5.137 2.635 -0.180 1.00 0.54 C ATOM 568 O ARG A 69 5.264 3.054 0.969 1.00 0.61 O ATOM 569 CB ARG A 69 7.062 3.788 -1.406 1.00 0.66 C ATOM 570 CG ARG A 69 7.931 2.615 -1.891 1.00 1.39 C ATOM 571 CD ARG A 69 7.634 2.200 -3.349 1.00 1.42 C ATOM 572 NE ARG A 69 8.837 1.755 -4.091 1.00 2.26 N ATOM 573 CZ ARG A 69 9.735 0.843 -3.753 1.00 3.24 C ATOM 574 NH1 ARG A 69 9.562 0.019 -2.761 1.00 4.15 N ATOM 575 NH2 ARG A 69 10.855 0.755 -4.404 1.00 4.13 N ATOM 0 H ARG A 69 4.695 5.137 -0.350 1.00 0.57 H new ATOM 0 HA ARG A 69 5.263 2.975 -2.271 1.00 0.54 H new ATOM 0 HB2 ARG A 69 7.246 4.645 -2.053 1.00 0.66 H new ATOM 0 HB3 ARG A 69 7.388 4.069 -0.405 1.00 0.66 H new ATOM 0 HG2 ARG A 69 8.982 2.890 -1.805 1.00 1.39 H new ATOM 0 HG3 ARG A 69 7.772 1.758 -1.236 1.00 1.39 H new ATOM 0 HD2 ARG A 69 6.899 1.395 -3.347 1.00 1.42 H new ATOM 0 HD3 ARG A 69 7.183 3.042 -3.874 1.00 1.42 H new ATOM 0 HE ARG A 69 8.995 2.216 -4.987 1.00 2.26 H new ATOM 0 HH11 ARG A 69 8.706 0.060 -2.207 1.00 4.15 H new ATOM 0 HH12 ARG A 69 10.282 -0.668 -2.537 1.00 4.15 H new ATOM 0 HH21 ARG A 69 11.046 1.390 -5.179 1.00 4.13 H new ATOM 0 HH22 ARG A 69 11.544 0.051 -4.140 1.00 4.13 H new ATOM 589 N VAL A 70 4.614 1.433 -0.431 1.00 0.55 N ATOM 590 CA VAL A 70 4.066 0.541 0.614 1.00 0.52 C ATOM 591 C VAL A 70 4.602 -0.879 0.502 1.00 0.55 C ATOM 592 O VAL A 70 4.633 -1.449 -0.588 1.00 0.59 O ATOM 593 CB VAL A 70 2.520 0.490 0.587 1.00 0.54 C ATOM 594 CG1 VAL A 70 1.960 -0.373 1.738 1.00 0.78 C ATOM 595 CG2 VAL A 70 1.872 1.881 0.619 1.00 0.75 C ATOM 0 H VAL A 70 4.555 1.041 -1.371 1.00 0.55 H new ATOM 0 HA VAL A 70 4.394 0.972 1.560 1.00 0.52 H new ATOM 0 HB VAL A 70 2.260 0.028 -0.365 1.00 0.54 H new ATOM 0 HG11 VAL A 70 0.871 -0.386 1.687 1.00 0.78 H new ATOM 0 HG12 VAL A 70 2.339 -1.391 1.647 1.00 0.78 H new ATOM 0 HG13 VAL A 70 2.274 0.047 2.694 1.00 0.78 H new ATOM 0 HG21 VAL A 70 0.787 1.778 0.598 1.00 0.75 H new ATOM 0 HG22 VAL A 70 2.169 2.400 1.530 1.00 0.75 H new ATOM 0 HG23 VAL A 70 2.199 2.455 -0.248 1.00 0.75 H new ATOM 605 N ALA A 71 4.901 -1.489 1.646 1.00 0.57 N ATOM 606 CA ALA A 71 4.876 -2.934 1.817 1.00 0.62 C ATOM 607 C ALA A 71 3.725 -3.318 2.714 1.00 0.62 C ATOM 608 O ALA A 71 3.544 -2.796 3.815 1.00 0.63 O ATOM 609 CB ALA A 71 6.213 -3.458 2.370 1.00 0.75 C ATOM 0 H ALA A 71 5.171 -0.984 2.490 1.00 0.57 H new ATOM 0 HA ALA A 71 4.732 -3.398 0.841 1.00 0.62 H new ATOM 0 HB1 ALA A 71 6.160 -4.541 2.486 1.00 0.75 H new ATOM 0 HB2 ALA A 71 7.017 -3.206 1.678 1.00 0.75 H new ATOM 0 HB3 ALA A 71 6.411 -2.999 3.339 1.00 0.75 H new ATOM 615 N VAL A 72 2.941 -4.242 2.184 1.00 0.64 N ATOM 616 CA VAL A 72 1.769 -4.786 2.778 1.00 0.61 C ATOM 617 C VAL A 72 1.857 -6.298 2.622 1.00 0.54 C ATOM 618 O VAL A 72 2.084 -6.845 1.543 1.00 0.61 O ATOM 619 CB VAL A 72 0.544 -4.171 2.103 1.00 0.61 C ATOM 620 CG1 VAL A 72 0.467 -4.299 0.587 1.00 1.95 C ATOM 621 CG2 VAL A 72 -0.653 -4.731 2.803 1.00 2.38 C ATOM 0 H VAL A 72 3.134 -4.647 1.268 1.00 0.64 H new ATOM 0 HA VAL A 72 1.680 -4.556 3.840 1.00 0.61 H new ATOM 0 HB VAL A 72 0.606 -3.088 2.210 1.00 0.61 H new ATOM 0 HG11 VAL A 72 -0.446 -3.824 0.228 1.00 1.95 H new ATOM 0 HG12 VAL A 72 1.331 -3.811 0.136 1.00 1.95 H new ATOM 0 HG13 VAL A 72 0.461 -5.353 0.311 1.00 1.95 H new ATOM 0 HG21 VAL A 72 -1.560 -4.322 2.357 1.00 2.38 H new ATOM 0 HG22 VAL A 72 -0.658 -5.816 2.704 1.00 2.38 H new ATOM 0 HG23 VAL A 72 -0.615 -4.463 3.859 1.00 2.38 H new ATOM 631 N VAL A 73 1.707 -6.989 3.732 1.00 0.48 N ATOM 632 CA VAL A 73 1.889 -8.435 3.790 1.00 0.48 C ATOM 633 C VAL A 73 0.820 -9.056 4.689 1.00 0.60 C ATOM 634 O VAL A 73 0.437 -8.521 5.736 1.00 0.56 O ATOM 635 CB VAL A 73 3.329 -8.750 4.188 1.00 0.70 C ATOM 636 CG1 VAL A 73 3.588 -10.242 4.404 1.00 1.17 C ATOM 637 CG2 VAL A 73 4.359 -8.244 3.177 1.00 1.44 C ATOM 0 H VAL A 73 1.455 -6.568 4.626 1.00 0.48 H new ATOM 0 HA VAL A 73 1.745 -8.893 2.812 1.00 0.48 H new ATOM 0 HB VAL A 73 3.450 -8.220 5.133 1.00 0.70 H new ATOM 0 HG11 VAL A 73 4.630 -10.393 4.684 1.00 1.17 H new ATOM 0 HG12 VAL A 73 2.941 -10.612 5.199 1.00 1.17 H new ATOM 0 HG13 VAL A 73 3.378 -10.785 3.483 1.00 1.17 H new ATOM 0 HG21 VAL A 73 5.361 -8.500 3.520 1.00 1.44 H new ATOM 0 HG22 VAL A 73 4.177 -8.709 2.208 1.00 1.44 H new ATOM 0 HG23 VAL A 73 4.274 -7.162 3.082 1.00 1.44 H new ATOM 647 N SER A 74 0.269 -10.166 4.214 1.00 0.78 N ATOM 648 CA SER A 74 -1.008 -10.699 4.683 1.00 0.76 C ATOM 649 C SER A 74 -1.194 -12.168 4.317 1.00 0.91 C ATOM 650 O SER A 74 -0.878 -12.594 3.206 1.00 0.98 O ATOM 651 CB SER A 74 -2.145 -9.871 4.071 1.00 0.79 C ATOM 652 OG SER A 74 -3.398 -10.456 4.362 1.00 0.87 O ATOM 0 H SER A 74 0.701 -10.730 3.482 1.00 0.78 H new ATOM 0 HA SER A 74 -1.020 -10.633 5.771 1.00 0.76 H new ATOM 0 HB2 SER A 74 -2.113 -8.854 4.462 1.00 0.79 H new ATOM 0 HB3 SER A 74 -2.012 -9.802 2.991 1.00 0.79 H new ATOM 0 HG SER A 74 -3.945 -9.821 4.870 1.00 0.87 H new ATOM 658 N SER A 75 -1.803 -12.925 5.231 1.00 0.98 N ATOM 659 CA SER A 75 -2.306 -14.286 4.988 1.00 1.13 C ATOM 660 C SER A 75 -3.313 -14.393 3.824 1.00 1.23 C ATOM 661 O SER A 75 -3.549 -15.491 3.322 1.00 1.47 O ATOM 662 CB SER A 75 -2.983 -14.801 6.263 1.00 1.09 C ATOM 663 OG SER A 75 -2.072 -14.794 7.347 1.00 2.29 O ATOM 0 H SER A 75 -1.966 -12.605 6.186 1.00 0.98 H new ATOM 0 HA SER A 75 -1.439 -14.885 4.709 1.00 1.13 H new ATOM 0 HB2 SER A 75 -3.845 -14.178 6.501 1.00 1.09 H new ATOM 0 HB3 SER A 75 -3.356 -15.812 6.100 1.00 1.09 H new ATOM 0 HG SER A 75 -2.006 -13.887 7.713 1.00 2.29 H new ATOM 669 N ARG A 76 -3.906 -13.273 3.384 1.00 1.16 N ATOM 670 CA ARG A 76 -4.972 -13.209 2.366 1.00 1.25 C ATOM 671 C ARG A 76 -4.506 -13.041 0.920 1.00 1.09 C ATOM 672 O ARG A 76 -5.276 -13.299 -0.010 1.00 1.22 O ATOM 673 CB ARG A 76 -5.905 -12.051 2.712 1.00 1.29 C ATOM 674 CG ARG A 76 -6.689 -12.322 4.004 1.00 2.33 C ATOM 675 CD ARG A 76 -7.918 -11.411 4.068 1.00 1.89 C ATOM 676 NE ARG A 76 -8.670 -11.538 5.333 1.00 2.97 N ATOM 677 CZ ARG A 76 -9.577 -12.457 5.637 1.00 3.39 C ATOM 678 NH1 ARG A 76 -9.873 -13.438 4.833 1.00 3.72 N ATOM 679 NH2 ARG A 76 -10.219 -12.403 6.769 1.00 4.46 N ATOM 0 H ARG A 76 -3.649 -12.352 3.739 1.00 1.16 H new ATOM 0 HA ARG A 76 -5.463 -14.182 2.401 1.00 1.25 H new ATOM 0 HB2 ARG A 76 -5.324 -11.136 2.824 1.00 1.29 H new ATOM 0 HB3 ARG A 76 -6.602 -11.887 1.890 1.00 1.29 H new ATOM 0 HG2 ARG A 76 -6.998 -13.367 4.040 1.00 2.33 H new ATOM 0 HG3 ARG A 76 -6.051 -12.148 4.870 1.00 2.33 H new ATOM 0 HD2 ARG A 76 -7.602 -10.375 3.943 1.00 1.89 H new ATOM 0 HD3 ARG A 76 -8.580 -11.645 3.234 1.00 1.89 H new ATOM 0 HE ARG A 76 -8.470 -10.843 6.052 1.00 2.97 H new ATOM 0 HH11 ARG A 76 -9.401 -13.519 3.932 1.00 3.72 H new ATOM 0 HH12 ARG A 76 -10.577 -14.125 5.104 1.00 3.72 H new ATOM 0 HH21 ARG A 76 -10.026 -11.650 7.429 1.00 4.46 H new ATOM 0 HH22 ARG A 76 -10.915 -13.114 6.995 1.00 4.46 H new ATOM 693 N PHE A 77 -3.270 -12.597 0.725 1.00 0.88 N ATOM 694 CA PHE A 77 -2.671 -12.292 -0.570 1.00 0.81 C ATOM 695 C PHE A 77 -2.074 -13.532 -1.247 1.00 0.90 C ATOM 696 O PHE A 77 -1.645 -13.428 -2.396 1.00 0.91 O ATOM 697 CB PHE A 77 -1.596 -11.205 -0.396 1.00 0.77 C ATOM 698 CG PHE A 77 -2.018 -9.763 -0.111 1.00 0.72 C ATOM 699 CD1 PHE A 77 -1.076 -8.867 0.446 1.00 1.71 C ATOM 700 CD2 PHE A 77 -3.282 -9.269 -0.496 1.00 1.37 C ATOM 701 CE1 PHE A 77 -1.387 -7.500 0.602 1.00 1.71 C ATOM 702 CE2 PHE A 77 -3.595 -7.907 -0.333 1.00 1.47 C ATOM 703 CZ PHE A 77 -2.648 -7.023 0.211 1.00 0.89 C ATOM 0 H PHE A 77 -2.628 -12.432 1.500 1.00 0.88 H new ATOM 0 HA PHE A 77 -3.463 -11.928 -1.224 1.00 0.81 H new ATOM 0 HB2 PHE A 77 -0.942 -11.520 0.417 1.00 0.77 H new ATOM 0 HB3 PHE A 77 -0.993 -11.195 -1.304 1.00 0.77 H new ATOM 0 HD1 PHE A 77 -0.108 -9.233 0.755 1.00 1.71 H new ATOM 0 HD2 PHE A 77 -4.014 -9.941 -0.919 1.00 1.37 H new ATOM 0 HE1 PHE A 77 -0.657 -6.823 1.021 1.00 1.71 H new ATOM 0 HE2 PHE A 77 -4.567 -7.540 -0.627 1.00 1.47 H new ATOM 0 HZ PHE A 77 -2.890 -5.977 0.328 1.00 0.89 H new ATOM 713 N GLU A 78 -2.037 -14.700 -0.585 1.00 1.23 N ATOM 714 CA GLU A 78 -1.654 -15.935 -1.252 1.00 1.33 C ATOM 715 C GLU A 78 -2.802 -16.626 -2.009 1.00 1.15 C ATOM 716 O GLU A 78 -3.952 -16.615 -1.560 1.00 1.40 O ATOM 717 CB GLU A 78 -0.880 -16.886 -0.328 1.00 2.03 C ATOM 718 CG GLU A 78 -1.435 -17.155 1.082 1.00 2.46 C ATOM 719 CD GLU A 78 -0.657 -18.287 1.789 1.00 3.13 C ATOM 720 OE1 GLU A 78 -0.413 -19.353 1.162 1.00 4.20 O ATOM 721 OE2 GLU A 78 -0.295 -18.149 2.983 1.00 3.30 O ATOM 0 H GLU A 78 -2.267 -14.805 0.403 1.00 1.23 H new ATOM 0 HA GLU A 78 -0.958 -15.633 -2.035 1.00 1.33 H new ATOM 0 HB2 GLU A 78 -0.793 -17.845 -0.838 1.00 2.03 H new ATOM 0 HB3 GLU A 78 0.130 -16.491 -0.217 1.00 2.03 H new ATOM 0 HG2 GLU A 78 -1.376 -16.244 1.678 1.00 2.46 H new ATOM 0 HG3 GLU A 78 -2.489 -17.424 1.014 1.00 2.46 H new ATOM 728 N GLY A 79 -2.498 -17.240 -3.159 1.00 1.20 N ATOM 729 CA GLY A 79 -3.483 -17.796 -4.101 1.00 1.42 C ATOM 730 C GLY A 79 -3.883 -16.830 -5.229 1.00 1.49 C ATOM 731 O GLY A 79 -5.007 -16.917 -5.733 1.00 2.27 O ATOM 0 H GLY A 79 -1.535 -17.368 -3.470 1.00 1.20 H new ATOM 0 HA2 GLY A 79 -3.075 -18.705 -4.543 1.00 1.42 H new ATOM 0 HA3 GLY A 79 -4.377 -18.083 -3.548 1.00 1.42 H new ATOM 735 N LEU A 80 -3.004 -15.873 -5.566 1.00 1.21 N ATOM 736 CA LEU A 80 -3.193 -14.803 -6.552 1.00 1.35 C ATOM 737 C LEU A 80 -1.905 -14.551 -7.364 1.00 1.31 C ATOM 738 O LEU A 80 -0.831 -14.422 -6.777 1.00 1.55 O ATOM 739 CB LEU A 80 -3.542 -13.486 -5.830 1.00 1.65 C ATOM 740 CG LEU A 80 -4.816 -13.445 -4.999 1.00 1.10 C ATOM 741 CD1 LEU A 80 -4.622 -13.764 -3.516 1.00 1.72 C ATOM 742 CD2 LEU A 80 -5.415 -12.044 -5.026 1.00 1.59 C ATOM 0 H LEU A 80 -2.084 -15.825 -5.128 1.00 1.21 H new ATOM 0 HA LEU A 80 -3.995 -15.117 -7.220 1.00 1.35 H new ATOM 0 HB2 LEU A 80 -2.708 -13.232 -5.176 1.00 1.65 H new ATOM 0 HB3 LEU A 80 -3.608 -12.700 -6.582 1.00 1.65 H new ATOM 0 HG LEU A 80 -5.452 -14.206 -5.451 1.00 1.10 H new ATOM 0 HD11 LEU A 80 -5.583 -13.711 -3.004 1.00 1.72 H new ATOM 0 HD12 LEU A 80 -4.210 -14.767 -3.411 1.00 1.72 H new ATOM 0 HD13 LEU A 80 -3.935 -13.041 -3.075 1.00 1.72 H new ATOM 0 HD21 LEU A 80 -6.326 -12.026 -4.428 1.00 1.59 H new ATOM 0 HD22 LEU A 80 -4.698 -11.334 -4.615 1.00 1.59 H new ATOM 0 HD23 LEU A 80 -5.650 -11.769 -6.054 1.00 1.59 H new ATOM 754 N SER A 81 -2.009 -14.363 -8.682 1.00 1.17 N ATOM 755 CA SER A 81 -0.914 -13.883 -9.550 1.00 1.29 C ATOM 756 C SER A 81 -0.455 -12.444 -9.211 1.00 1.42 C ATOM 757 O SER A 81 -1.178 -11.730 -8.508 1.00 1.18 O ATOM 758 CB SER A 81 -1.379 -13.915 -11.011 1.00 1.37 C ATOM 759 OG SER A 81 -1.340 -15.217 -11.554 1.00 2.36 O ATOM 0 H SER A 81 -2.873 -14.542 -9.193 1.00 1.17 H new ATOM 0 HA SER A 81 -0.065 -14.546 -9.384 1.00 1.29 H new ATOM 0 HB2 SER A 81 -2.395 -13.526 -11.076 1.00 1.37 H new ATOM 0 HB3 SER A 81 -0.747 -13.256 -11.606 1.00 1.37 H new ATOM 0 HG SER A 81 -1.645 -15.193 -12.485 1.00 2.36 H new ATOM 765 N PRO A 82 0.697 -11.959 -9.731 1.00 1.94 N ATOM 766 CA PRO A 82 1.209 -10.612 -9.444 1.00 2.05 C ATOM 767 C PRO A 82 0.318 -9.496 -10.015 1.00 1.87 C ATOM 768 O PRO A 82 -0.226 -8.690 -9.253 1.00 1.65 O ATOM 769 CB PRO A 82 2.643 -10.567 -9.995 1.00 2.51 C ATOM 770 CG PRO A 82 3.028 -12.037 -10.143 1.00 2.65 C ATOM 771 CD PRO A 82 1.698 -12.706 -10.480 1.00 2.49 C ATOM 0 HA PRO A 82 1.203 -10.424 -8.370 1.00 2.05 H new ATOM 0 HB2 PRO A 82 2.687 -10.045 -10.951 1.00 2.51 H new ATOM 0 HB3 PRO A 82 3.316 -10.045 -9.315 1.00 2.51 H new ATOM 0 HG2 PRO A 82 3.765 -12.184 -10.932 1.00 2.65 H new ATOM 0 HG3 PRO A 82 3.460 -12.436 -9.225 1.00 2.65 H new ATOM 0 HD2 PRO A 82 1.498 -12.669 -11.551 1.00 2.49 H new ATOM 0 HD3 PRO A 82 1.702 -13.758 -10.193 1.00 2.49 H new ATOM 779 N LEU A 83 0.073 -9.483 -11.335 1.00 2.02 N ATOM 780 CA LEU A 83 -0.846 -8.509 -11.939 1.00 1.97 C ATOM 781 C LEU A 83 -2.275 -8.677 -11.399 1.00 1.63 C ATOM 782 O LEU A 83 -2.930 -7.678 -11.125 1.00 1.54 O ATOM 783 CB LEU A 83 -0.787 -8.585 -13.477 1.00 2.39 C ATOM 784 CG LEU A 83 -1.660 -7.532 -14.196 1.00 3.48 C ATOM 785 CD1 LEU A 83 -1.254 -6.092 -13.868 1.00 4.24 C ATOM 786 CD2 LEU A 83 -1.551 -7.708 -15.710 1.00 3.89 C ATOM 0 H LEU A 83 0.496 -10.132 -11.999 1.00 2.02 H new ATOM 0 HA LEU A 83 -0.522 -7.509 -11.652 1.00 1.97 H new ATOM 0 HB2 LEU A 83 0.248 -8.462 -13.796 1.00 2.39 H new ATOM 0 HB3 LEU A 83 -1.102 -9.579 -13.793 1.00 2.39 H new ATOM 0 HG LEU A 83 -2.679 -7.694 -13.844 1.00 3.48 H new ATOM 0 HD11 LEU A 83 -1.904 -5.400 -14.403 1.00 4.24 H new ATOM 0 HD12 LEU A 83 -1.348 -5.923 -12.795 1.00 4.24 H new ATOM 0 HD13 LEU A 83 -0.220 -5.927 -14.172 1.00 4.24 H new ATOM 0 HD21 LEU A 83 -2.170 -6.962 -16.209 1.00 3.89 H new ATOM 0 HD22 LEU A 83 -0.513 -7.583 -16.017 1.00 3.89 H new ATOM 0 HD23 LEU A 83 -1.893 -8.706 -15.986 1.00 3.89 H new ATOM 798 N GLN A 84 -2.728 -9.912 -11.146 1.00 1.48 N ATOM 799 CA GLN A 84 -4.022 -10.193 -10.507 1.00 1.21 C ATOM 800 C GLN A 84 -4.164 -9.496 -9.139 1.00 1.11 C ATOM 801 O GLN A 84 -5.140 -8.770 -8.930 1.00 1.14 O ATOM 802 CB GLN A 84 -4.200 -11.714 -10.371 1.00 1.09 C ATOM 803 CG GLN A 84 -5.546 -12.140 -9.762 1.00 0.99 C ATOM 804 CD GLN A 84 -5.598 -13.612 -9.352 1.00 1.20 C ATOM 805 OE1 GLN A 84 -4.722 -14.422 -9.632 1.00 1.79 O ATOM 806 NE2 GLN A 84 -6.617 -13.999 -8.622 1.00 1.41 N ATOM 0 H GLN A 84 -2.201 -10.753 -11.381 1.00 1.48 H new ATOM 0 HA GLN A 84 -4.810 -9.787 -11.141 1.00 1.21 H new ATOM 0 HB2 GLN A 84 -4.099 -12.170 -11.356 1.00 1.09 H new ATOM 0 HB3 GLN A 84 -3.393 -12.109 -9.753 1.00 1.09 H new ATOM 0 HG2 GLN A 84 -5.751 -11.521 -8.888 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -6.339 -11.945 -10.484 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -7.353 -13.335 -8.381 1.00 1.41 H new ATOM 0 HE22 GLN A 84 -6.673 -14.964 -8.295 1.00 1.41 H new ATOM 815 N ARG A 85 -3.216 -9.676 -8.203 1.00 1.08 N ATOM 816 CA ARG A 85 -3.303 -9.047 -6.865 1.00 1.01 C ATOM 817 C ARG A 85 -3.180 -7.521 -6.940 1.00 1.01 C ATOM 818 O ARG A 85 -3.941 -6.809 -6.283 1.00 0.99 O ATOM 819 CB ARG A 85 -2.318 -9.692 -5.864 1.00 1.11 C ATOM 820 CG ARG A 85 -0.833 -9.368 -6.101 1.00 1.56 C ATOM 821 CD ARG A 85 0.109 -10.057 -5.103 1.00 2.46 C ATOM 822 NE ARG A 85 0.202 -11.520 -5.305 1.00 3.55 N ATOM 823 CZ ARG A 85 1.017 -12.333 -4.652 1.00 4.68 C ATOM 824 NH1 ARG A 85 1.820 -11.913 -3.721 1.00 5.17 N ATOM 825 NH2 ARG A 85 1.054 -13.599 -4.930 1.00 6.06 N ATOM 0 H ARG A 85 -2.383 -10.248 -8.343 1.00 1.08 H new ATOM 0 HA ARG A 85 -4.301 -9.244 -6.473 1.00 1.01 H new ATOM 0 HB2 ARG A 85 -2.587 -9.371 -4.858 1.00 1.11 H new ATOM 0 HB3 ARG A 85 -2.447 -10.774 -5.899 1.00 1.11 H new ATOM 0 HG2 ARG A 85 -0.560 -9.668 -7.113 1.00 1.56 H new ATOM 0 HG3 ARG A 85 -0.690 -8.289 -6.039 1.00 1.56 H new ATOM 0 HD2 ARG A 85 1.104 -9.620 -5.191 1.00 2.46 H new ATOM 0 HD3 ARG A 85 -0.238 -9.858 -4.089 1.00 2.46 H new ATOM 0 HE ARG A 85 -0.412 -11.936 -6.005 1.00 3.55 H new ATOM 0 HH11 ARG A 85 1.837 -10.924 -3.470 1.00 5.17 H new ATOM 0 HH12 ARG A 85 2.433 -12.572 -3.241 1.00 5.17 H new ATOM 0 HH21 ARG A 85 0.451 -13.979 -5.659 1.00 6.06 H new ATOM 0 HH22 ARG A 85 1.687 -14.215 -4.419 1.00 6.06 H new ATOM 839 N HIS A 86 -2.289 -7.025 -7.801 1.00 1.10 N ATOM 840 CA HIS A 86 -2.146 -5.592 -8.063 1.00 1.14 C ATOM 841 C HIS A 86 -3.462 -4.989 -8.598 1.00 1.18 C ATOM 842 O HIS A 86 -4.013 -4.086 -7.972 1.00 1.14 O ATOM 843 CB HIS A 86 -0.955 -5.372 -9.004 1.00 1.39 C ATOM 844 CG HIS A 86 0.354 -5.179 -8.277 1.00 1.43 C ATOM 845 ND1 HIS A 86 1.125 -4.040 -8.266 1.00 1.64 N ATOM 846 CD2 HIS A 86 1.016 -6.112 -7.531 1.00 1.55 C ATOM 847 CE1 HIS A 86 2.221 -4.273 -7.527 1.00 1.64 C ATOM 848 NE2 HIS A 86 2.209 -5.538 -7.069 1.00 1.63 N ATOM 0 H HIS A 86 -1.645 -7.607 -8.337 1.00 1.10 H new ATOM 0 HA HIS A 86 -1.939 -5.062 -7.133 1.00 1.14 H new ATOM 0 HB2 HIS A 86 -0.868 -6.227 -9.674 1.00 1.39 H new ATOM 0 HB3 HIS A 86 -1.149 -4.498 -9.626 1.00 1.39 H new ATOM 0 HD2 HIS A 86 0.679 -7.118 -7.331 1.00 1.55 H new ATOM 0 HE1 HIS A 86 2.999 -3.551 -7.329 1.00 1.64 H new ATOM 0 HE2 HIS A 86 2.925 -5.989 -6.499 1.00 1.63 H new ATOM 856 N ARG A 87 -4.049 -5.560 -9.662 1.00 1.32 N ATOM 857 CA ARG A 87 -5.365 -5.165 -10.204 1.00 1.45 C ATOM 858 C ARG A 87 -6.484 -5.247 -9.167 1.00 1.36 C ATOM 859 O ARG A 87 -7.325 -4.356 -9.141 1.00 1.48 O ATOM 860 CB ARG A 87 -5.725 -6.027 -11.430 1.00 1.65 C ATOM 861 CG ARG A 87 -4.998 -5.605 -12.714 1.00 1.95 C ATOM 862 CD ARG A 87 -5.613 -4.340 -13.337 1.00 2.76 C ATOM 863 NE ARG A 87 -4.900 -3.937 -14.560 1.00 3.11 N ATOM 864 CZ ARG A 87 -4.923 -4.525 -15.739 1.00 3.39 C ATOM 865 NH1 ARG A 87 -5.729 -5.502 -16.050 1.00 3.50 N ATOM 866 NH2 ARG A 87 -4.103 -4.149 -16.670 1.00 4.57 N ATOM 0 H ARG A 87 -3.616 -6.324 -10.181 1.00 1.32 H new ATOM 0 HA ARG A 87 -5.276 -4.120 -10.501 1.00 1.45 H new ATOM 0 HB2 ARG A 87 -5.487 -7.068 -11.214 1.00 1.65 H new ATOM 0 HB3 ARG A 87 -6.801 -5.974 -11.598 1.00 1.65 H new ATOM 0 HG2 ARG A 87 -3.946 -5.425 -12.492 1.00 1.95 H new ATOM 0 HG3 ARG A 87 -5.036 -6.420 -13.437 1.00 1.95 H new ATOM 0 HD2 ARG A 87 -6.662 -4.522 -13.570 1.00 2.76 H new ATOM 0 HD3 ARG A 87 -5.584 -3.526 -12.613 1.00 2.76 H new ATOM 0 HE ARG A 87 -4.318 -3.102 -14.486 1.00 3.11 H new ATOM 0 HH11 ARG A 87 -6.393 -5.854 -15.361 1.00 3.50 H new ATOM 0 HH12 ARG A 87 -5.695 -5.914 -16.983 1.00 3.50 H new ATOM 0 HH21 ARG A 87 -3.438 -3.397 -16.491 1.00 4.57 H new ATOM 0 HH22 ARG A 87 -4.123 -4.606 -17.582 1.00 4.57 H new ATOM 880 N LEU A 88 -6.470 -6.245 -8.275 1.00 1.24 N ATOM 881 CA LEU A 88 -7.423 -6.340 -7.161 1.00 1.28 C ATOM 882 C LEU A 88 -7.323 -5.087 -6.278 1.00 1.24 C ATOM 883 O LEU A 88 -8.313 -4.380 -6.104 1.00 1.34 O ATOM 884 CB LEU A 88 -7.179 -7.647 -6.377 1.00 1.28 C ATOM 885 CG LEU A 88 -8.389 -8.187 -5.589 1.00 1.84 C ATOM 886 CD1 LEU A 88 -8.038 -9.559 -5.011 1.00 2.30 C ATOM 887 CD2 LEU A 88 -8.808 -7.296 -4.420 1.00 2.82 C ATOM 0 H LEU A 88 -5.797 -7.011 -8.305 1.00 1.24 H new ATOM 0 HA LEU A 88 -8.444 -6.379 -7.541 1.00 1.28 H new ATOM 0 HB2 LEU A 88 -6.853 -8.415 -7.079 1.00 1.28 H new ATOM 0 HB3 LEU A 88 -6.358 -7.483 -5.679 1.00 1.28 H new ATOM 0 HG LEU A 88 -9.218 -8.228 -6.296 1.00 1.84 H new ATOM 0 HD11 LEU A 88 -8.890 -9.947 -4.452 1.00 2.30 H new ATOM 0 HD12 LEU A 88 -7.794 -10.244 -5.823 1.00 2.30 H new ATOM 0 HD13 LEU A 88 -7.180 -9.465 -4.346 1.00 2.30 H new ATOM 0 HD21 LEU A 88 -9.665 -7.740 -3.913 1.00 2.82 H new ATOM 0 HD22 LEU A 88 -7.979 -7.203 -3.718 1.00 2.82 H new ATOM 0 HD23 LEU A 88 -9.079 -6.309 -4.794 1.00 2.82 H new ATOM 899 N VAL A 89 -6.121 -4.741 -5.807 1.00 1.13 N ATOM 900 CA VAL A 89 -5.915 -3.510 -5.006 1.00 1.14 C ATOM 901 C VAL A 89 -6.290 -2.229 -5.778 1.00 1.18 C ATOM 902 O VAL A 89 -6.879 -1.303 -5.227 1.00 1.25 O ATOM 903 CB VAL A 89 -4.459 -3.431 -4.495 1.00 1.14 C ATOM 904 CG1 VAL A 89 -4.189 -2.152 -3.692 1.00 1.22 C ATOM 905 CG2 VAL A 89 -4.128 -4.602 -3.563 1.00 1.26 C ATOM 0 H VAL A 89 -5.273 -5.287 -5.961 1.00 1.13 H new ATOM 0 HA VAL A 89 -6.589 -3.572 -4.152 1.00 1.14 H new ATOM 0 HB VAL A 89 -3.842 -3.452 -5.393 1.00 1.14 H new ATOM 0 HG11 VAL A 89 -3.152 -2.145 -3.356 1.00 1.22 H new ATOM 0 HG12 VAL A 89 -4.372 -1.281 -4.322 1.00 1.22 H new ATOM 0 HG13 VAL A 89 -4.851 -2.119 -2.827 1.00 1.22 H new ATOM 0 HG21 VAL A 89 -3.096 -4.515 -3.222 1.00 1.26 H new ATOM 0 HG22 VAL A 89 -4.797 -4.583 -2.703 1.00 1.26 H new ATOM 0 HG23 VAL A 89 -4.255 -5.542 -4.100 1.00 1.26 H new ATOM 915 N HIS A 90 -5.975 -2.172 -7.063 1.00 1.23 N ATOM 916 CA HIS A 90 -6.063 -0.986 -7.923 1.00 1.34 C ATOM 917 C HIS A 90 -7.490 -0.715 -8.430 1.00 1.44 C ATOM 918 O HIS A 90 -7.830 0.442 -8.698 1.00 1.52 O ATOM 919 CB HIS A 90 -5.083 -1.132 -9.100 1.00 1.37 C ATOM 920 CG HIS A 90 -3.603 -1.203 -8.769 1.00 1.34 C ATOM 921 ND1 HIS A 90 -2.606 -1.427 -9.691 1.00 1.38 N ATOM 922 CD2 HIS A 90 -2.982 -1.057 -7.553 1.00 1.39 C ATOM 923 CE1 HIS A 90 -1.422 -1.384 -9.066 1.00 1.39 C ATOM 924 NE2 HIS A 90 -1.593 -1.134 -7.754 1.00 1.42 N ATOM 0 H HIS A 90 -5.633 -2.990 -7.567 1.00 1.23 H new ATOM 0 HA HIS A 90 -5.789 -0.122 -7.318 1.00 1.34 H new ATOM 0 HB2 HIS A 90 -5.349 -2.034 -9.651 1.00 1.37 H new ATOM 0 HB3 HIS A 90 -5.238 -0.290 -9.774 1.00 1.37 H new ATOM 0 HD2 HIS A 90 -3.476 -0.908 -6.604 1.00 1.39 H new ATOM 0 HE1 HIS A 90 -0.466 -1.529 -9.546 1.00 1.39 H new ATOM 0 HE2 HIS A 90 -0.863 -1.023 -7.050 1.00 1.42 H new ATOM 932 N ALA A 91 -8.321 -1.755 -8.565 1.00 1.49 N ATOM 933 CA ALA A 91 -9.756 -1.675 -8.837 1.00 1.65 C ATOM 934 C ALA A 91 -10.627 -1.581 -7.574 1.00 1.69 C ATOM 935 O ALA A 91 -11.550 -0.759 -7.523 1.00 1.85 O ATOM 936 CB ALA A 91 -10.158 -2.865 -9.718 1.00 1.77 C ATOM 0 H ALA A 91 -7.994 -2.718 -8.483 1.00 1.49 H new ATOM 0 HA ALA A 91 -9.941 -0.739 -9.364 1.00 1.65 H new ATOM 0 HB1 ALA A 91 -11.226 -2.817 -9.928 1.00 1.77 H new ATOM 0 HB2 ALA A 91 -9.602 -2.829 -10.655 1.00 1.77 H new ATOM 0 HB3 ALA A 91 -9.932 -3.796 -9.198 1.00 1.77 H new ATOM 942 N ALA A 92 -10.350 -2.407 -6.559 1.00 1.59 N ATOM 943 CA ALA A 92 -11.192 -2.528 -5.370 1.00 1.65 C ATOM 944 C ALA A 92 -10.820 -1.551 -4.246 1.00 1.71 C ATOM 945 O ALA A 92 -11.716 -1.192 -3.477 1.00 1.98 O ATOM 946 CB ALA A 92 -11.190 -3.980 -4.880 1.00 1.55 C ATOM 0 H ALA A 92 -9.530 -3.013 -6.542 1.00 1.59 H new ATOM 0 HA ALA A 92 -12.203 -2.246 -5.664 1.00 1.65 H new ATOM 0 HB1 ALA A 92 -11.819 -4.066 -3.994 1.00 1.55 H new ATOM 0 HB2 ALA A 92 -11.578 -4.629 -5.665 1.00 1.55 H new ATOM 0 HB3 ALA A 92 -10.171 -4.279 -4.633 1.00 1.55 H new ATOM 952 N LEU A 93 -9.563 -1.075 -4.153 1.00 1.50 N ATOM 953 CA LEU A 93 -9.171 -0.049 -3.158 1.00 1.41 C ATOM 954 C LEU A 93 -8.849 1.316 -3.808 1.00 1.31 C ATOM 955 O LEU A 93 -8.118 2.121 -3.236 1.00 1.10 O ATOM 956 CB LEU A 93 -8.039 -0.562 -2.225 1.00 1.42 C ATOM 957 CG LEU A 93 -8.364 -1.570 -1.113 1.00 1.70 C ATOM 958 CD1 LEU A 93 -9.621 -1.244 -0.315 1.00 1.74 C ATOM 959 CD2 LEU A 93 -8.449 -2.965 -1.685 1.00 2.25 C ATOM 0 H LEU A 93 -8.799 -1.383 -4.754 1.00 1.50 H new ATOM 0 HA LEU A 93 -10.039 0.131 -2.523 1.00 1.41 H new ATOM 0 HB2 LEU A 93 -7.275 -1.012 -2.858 1.00 1.42 H new ATOM 0 HB3 LEU A 93 -7.588 0.310 -1.752 1.00 1.42 H new ATOM 0 HG LEU A 93 -7.541 -1.504 -0.401 1.00 1.70 H new ATOM 0 HD11 LEU A 93 -9.775 -2.007 0.448 1.00 1.74 H new ATOM 0 HD12 LEU A 93 -9.507 -0.271 0.162 1.00 1.74 H new ATOM 0 HD13 LEU A 93 -10.481 -1.221 -0.984 1.00 1.74 H new ATOM 0 HD21 LEU A 93 -8.680 -3.672 -0.888 1.00 2.25 H new ATOM 0 HD22 LEU A 93 -9.234 -3.001 -2.441 1.00 2.25 H new ATOM 0 HD23 LEU A 93 -7.495 -3.230 -2.140 1.00 2.25 H new ATOM 971 N ALA A 94 -9.362 1.602 -5.007 1.00 1.60 N ATOM 972 CA ALA A 94 -8.777 2.617 -5.886 1.00 1.49 C ATOM 973 C ALA A 94 -8.611 4.041 -5.326 1.00 1.10 C ATOM 974 O ALA A 94 -7.532 4.622 -5.481 1.00 0.98 O ATOM 975 CB ALA A 94 -9.592 2.636 -7.185 1.00 2.09 C ATOM 0 H ALA A 94 -10.186 1.142 -5.393 1.00 1.60 H new ATOM 0 HA ALA A 94 -7.742 2.309 -6.033 1.00 1.49 H new ATOM 0 HB1 ALA A 94 -9.180 3.384 -7.862 1.00 2.09 H new ATOM 0 HB2 ALA A 94 -9.547 1.655 -7.657 1.00 2.09 H new ATOM 0 HB3 ALA A 94 -10.630 2.883 -6.960 1.00 2.09 H new ATOM 981 N GLU A 95 -9.624 4.613 -4.678 1.00 1.27 N ATOM 982 CA GLU A 95 -9.539 5.951 -4.075 1.00 1.33 C ATOM 983 C GLU A 95 -8.939 5.905 -2.662 1.00 1.37 C ATOM 984 O GLU A 95 -8.470 6.919 -2.140 1.00 1.59 O ATOM 985 CB GLU A 95 -10.902 6.659 -4.125 1.00 1.88 C ATOM 986 CG GLU A 95 -11.303 6.977 -5.574 1.00 2.10 C ATOM 987 CD GLU A 95 -12.697 7.600 -5.637 1.00 2.71 C ATOM 988 OE1 GLU A 95 -12.815 8.852 -5.727 1.00 3.94 O ATOM 989 OE2 GLU A 95 -13.695 6.842 -5.561 1.00 3.01 O ATOM 0 H GLU A 95 -10.531 4.164 -4.553 1.00 1.27 H new ATOM 0 HA GLU A 95 -8.848 6.549 -4.670 1.00 1.33 H new ATOM 0 HB2 GLU A 95 -11.661 6.027 -3.664 1.00 1.88 H new ATOM 0 HB3 GLU A 95 -10.859 7.581 -3.545 1.00 1.88 H new ATOM 0 HG2 GLU A 95 -10.576 7.660 -6.014 1.00 2.10 H new ATOM 0 HG3 GLU A 95 -11.283 6.064 -6.169 1.00 2.10 H new ATOM 996 N GLU A 96 -8.913 4.726 -2.036 1.00 1.30 N ATOM 997 CA GLU A 96 -8.449 4.482 -0.701 1.00 1.37 C ATOM 998 C GLU A 96 -6.911 4.363 -0.687 1.00 1.18 C ATOM 999 O GLU A 96 -6.249 4.875 0.218 1.00 1.38 O ATOM 1000 CB GLU A 96 -9.183 3.198 -0.281 1.00 1.47 C ATOM 1001 CG GLU A 96 -10.723 3.295 -0.346 1.00 1.81 C ATOM 1002 CD GLU A 96 -11.466 2.183 0.415 1.00 1.67 C ATOM 1003 OE1 GLU A 96 -11.907 2.382 1.575 1.00 2.59 O ATOM 1004 OE2 GLU A 96 -11.724 1.116 -0.182 1.00 1.83 O ATOM 0 H GLU A 96 -9.240 3.874 -2.491 1.00 1.30 H new ATOM 0 HA GLU A 96 -8.662 5.287 0.002 1.00 1.37 H new ATOM 0 HB2 GLU A 96 -8.855 2.380 -0.922 1.00 1.47 H new ATOM 0 HB3 GLU A 96 -8.890 2.942 0.737 1.00 1.47 H new ATOM 0 HG2 GLU A 96 -11.031 4.260 0.056 1.00 1.81 H new ATOM 0 HG3 GLU A 96 -11.032 3.271 -1.391 1.00 1.81 H new ATOM 1011 N LEU A 97 -6.325 3.778 -1.743 1.00 0.98 N ATOM 1012 CA LEU A 97 -4.901 3.707 -2.032 1.00 0.98 C ATOM 1013 C LEU A 97 -4.410 4.877 -2.897 1.00 1.14 C ATOM 1014 O LEU A 97 -3.418 5.515 -2.551 1.00 1.38 O ATOM 1015 CB LEU A 97 -4.716 2.380 -2.793 1.00 1.07 C ATOM 1016 CG LEU A 97 -3.828 1.309 -2.139 1.00 1.14 C ATOM 1017 CD1 LEU A 97 -2.359 1.723 -2.086 1.00 2.25 C ATOM 1018 CD2 LEU A 97 -4.309 0.941 -0.737 1.00 2.91 C ATOM 0 H LEU A 97 -6.880 3.313 -2.461 1.00 0.98 H new ATOM 0 HA LEU A 97 -4.322 3.761 -1.110 1.00 0.98 H new ATOM 0 HB2 LEU A 97 -5.702 1.946 -2.958 1.00 1.07 H new ATOM 0 HB3 LEU A 97 -4.301 2.609 -3.774 1.00 1.07 H new ATOM 0 HG LEU A 97 -3.912 0.429 -2.777 1.00 1.14 H new ATOM 0 HD11 LEU A 97 -1.775 0.932 -1.615 1.00 2.25 H new ATOM 0 HD12 LEU A 97 -1.992 1.892 -3.098 1.00 2.25 H new ATOM 0 HD13 LEU A 97 -2.260 2.641 -1.507 1.00 2.25 H new ATOM 0 HD21 LEU A 97 -3.651 0.181 -0.314 1.00 2.91 H new ATOM 0 HD22 LEU A 97 -4.294 1.827 -0.103 1.00 2.91 H new ATOM 0 HD23 LEU A 97 -5.325 0.551 -0.792 1.00 2.91 H new ATOM 1030 N GLY A 98 -5.105 5.154 -4.005 1.00 1.20 N ATOM 1031 CA GLY A 98 -4.613 5.940 -5.142 1.00 1.67 C ATOM 1032 C GLY A 98 -5.407 7.211 -5.428 1.00 1.78 C ATOM 1033 O GLY A 98 -5.140 7.891 -6.416 1.00 2.24 O ATOM 0 H GLY A 98 -6.061 4.825 -4.140 1.00 1.20 H new ATOM 0 HA2 GLY A 98 -3.574 6.211 -4.957 1.00 1.67 H new ATOM 0 HA3 GLY A 98 -4.625 5.312 -6.033 1.00 1.67 H new ATOM 1037 N GLY A 99 -6.387 7.534 -4.584 1.00 1.71 N ATOM 1038 CA GLY A 99 -7.196 8.752 -4.721 1.00 2.16 C ATOM 1039 C GLY A 99 -6.374 10.036 -4.528 1.00 2.29 C ATOM 1040 O GLY A 99 -6.225 10.814 -5.480 1.00 2.62 O ATOM 0 H GLY A 99 -6.645 6.958 -3.782 1.00 1.71 H new ATOM 0 HA2 GLY A 99 -7.658 8.767 -5.708 1.00 2.16 H new ATOM 0 HA3 GLY A 99 -8.005 8.730 -3.990 1.00 2.16 H new ATOM 1044 N PRO A 100 -5.790 10.255 -3.333 1.00 2.14 N ATOM 1045 CA PRO A 100 -5.142 11.520 -2.995 1.00 2.27 C ATOM 1046 C PRO A 100 -3.721 11.661 -3.568 1.00 2.09 C ATOM 1047 O PRO A 100 -3.260 12.781 -3.794 1.00 2.54 O ATOM 1048 CB PRO A 100 -5.174 11.553 -1.465 1.00 2.41 C ATOM 1049 CG PRO A 100 -5.055 10.086 -1.065 1.00 2.22 C ATOM 1050 CD PRO A 100 -5.885 9.401 -2.150 1.00 2.08 C ATOM 0 HA PRO A 100 -5.660 12.369 -3.441 1.00 2.27 H new ATOM 0 HB2 PRO A 100 -4.353 12.145 -1.061 1.00 2.41 H new ATOM 0 HB3 PRO A 100 -6.099 11.995 -1.094 1.00 2.41 H new ATOM 0 HG2 PRO A 100 -4.020 9.744 -1.065 1.00 2.22 H new ATOM 0 HG3 PRO A 100 -5.452 9.900 -0.067 1.00 2.22 H new ATOM 0 HD2 PRO A 100 -5.504 8.401 -2.359 1.00 2.08 H new ATOM 0 HD3 PRO A 100 -6.922 9.287 -1.834 1.00 2.08 H new ATOM 1058 N VAL A 101 -3.022 10.555 -3.831 1.00 1.62 N ATOM 1059 CA VAL A 101 -1.680 10.474 -4.392 1.00 1.49 C ATOM 1060 C VAL A 101 -1.720 10.452 -5.913 1.00 1.56 C ATOM 1061 O VAL A 101 -2.488 9.706 -6.519 1.00 1.74 O ATOM 1062 CB VAL A 101 -0.986 9.241 -3.788 1.00 1.30 C ATOM 1063 CG1 VAL A 101 -0.835 9.416 -2.273 1.00 1.53 C ATOM 1064 CG2 VAL A 101 -1.701 7.911 -4.039 1.00 2.42 C ATOM 0 H VAL A 101 -3.409 9.630 -3.643 1.00 1.62 H new ATOM 0 HA VAL A 101 -1.101 11.361 -4.133 1.00 1.49 H new ATOM 0 HB VAL A 101 -0.023 9.186 -4.296 1.00 1.30 H new ATOM 0 HG11 VAL A 101 -0.343 8.539 -1.853 1.00 1.53 H new ATOM 0 HG12 VAL A 101 -0.235 10.302 -2.067 1.00 1.53 H new ATOM 0 HG13 VAL A 101 -1.820 9.531 -1.820 1.00 1.53 H new ATOM 0 HG21 VAL A 101 -1.137 7.102 -3.576 1.00 2.42 H new ATOM 0 HG22 VAL A 101 -2.702 7.949 -3.608 1.00 2.42 H new ATOM 0 HG23 VAL A 101 -1.774 7.734 -5.112 1.00 2.42 H new ATOM 1074 N HIS A 102 -0.890 11.279 -6.543 1.00 1.51 N ATOM 1075 CA HIS A 102 -0.716 11.261 -7.992 1.00 1.61 C ATOM 1076 C HIS A 102 0.193 10.089 -8.422 1.00 1.50 C ATOM 1077 O HIS A 102 0.019 9.560 -9.524 1.00 1.73 O ATOM 1078 CB HIS A 102 -0.288 12.660 -8.474 1.00 1.71 C ATOM 1079 CG HIS A 102 1.098 12.719 -9.025 1.00 3.36 C ATOM 1080 ND1 HIS A 102 2.199 12.479 -8.271 1.00 4.52 N flip ATOM 1081 CD2 HIS A 102 1.505 12.925 -10.323 1.00 4.44 C flip ATOM 1082 CE1 HIS A 102 3.316 12.536 -9.116 1.00 6.31 C flip ATOM 1083 NE2 HIS A 102 2.841 12.806 -10.347 1.00 6.37 N flip ATOM 0 H HIS A 102 -0.321 11.978 -6.065 1.00 1.51 H new ATOM 0 HA HIS A 102 -1.659 11.057 -8.499 1.00 1.61 H new ATOM 0 HB2 HIS A 102 -0.986 12.998 -9.240 1.00 1.71 H new ATOM 0 HB3 HIS A 102 -0.366 13.359 -7.641 1.00 1.71 H new ATOM 0 HD2 HIS A 102 0.867 13.142 -11.167 1.00 4.44 H new ATOM 0 HE1 HIS A 102 4.349 12.392 -8.836 1.00 6.31 H new ATOM 0 HE2 HIS A 102 3.418 12.906 -11.182 1.00 6.37 H new ATOM 1091 N ALA A 103 1.096 9.635 -7.538 1.00 1.21 N ATOM 1092 CA ALA A 103 1.965 8.478 -7.766 1.00 1.16 C ATOM 1093 C ALA A 103 2.065 7.565 -6.538 1.00 0.86 C ATOM 1094 O ALA A 103 2.086 8.019 -5.391 1.00 0.72 O ATOM 1095 CB ALA A 103 3.362 8.943 -8.166 1.00 1.31 C ATOM 0 H ALA A 103 1.242 10.073 -6.629 1.00 1.21 H new ATOM 0 HA ALA A 103 1.515 7.898 -8.572 1.00 1.16 H new ATOM 0 HB1 ALA A 103 4.000 8.075 -8.333 1.00 1.31 H new ATOM 0 HB2 ALA A 103 3.301 9.531 -9.082 1.00 1.31 H new ATOM 0 HB3 ALA A 103 3.784 9.555 -7.369 1.00 1.31 H new ATOM 1101 N LEU A 104 2.179 6.268 -6.790 1.00 0.87 N ATOM 1102 CA LEU A 104 2.290 5.220 -5.794 1.00 0.68 C ATOM 1103 C LEU A 104 2.866 3.902 -6.333 1.00 0.71 C ATOM 1104 O LEU A 104 2.598 3.530 -7.477 1.00 0.87 O ATOM 1105 CB LEU A 104 0.922 4.977 -5.148 1.00 0.84 C ATOM 1106 CG LEU A 104 -0.193 4.293 -5.965 1.00 1.22 C ATOM 1107 CD1 LEU A 104 -1.366 4.091 -5.009 1.00 1.55 C ATOM 1108 CD2 LEU A 104 -0.689 5.097 -7.166 1.00 1.69 C ATOM 0 H LEU A 104 2.197 5.904 -7.743 1.00 0.87 H new ATOM 0 HA LEU A 104 3.006 5.574 -5.052 1.00 0.68 H new ATOM 0 HB2 LEU A 104 1.086 4.377 -4.253 1.00 0.84 H new ATOM 0 HB3 LEU A 104 0.540 5.943 -4.819 1.00 0.84 H new ATOM 0 HG LEU A 104 0.215 3.369 -6.373 1.00 1.22 H new ATOM 0 HD11 LEU A 104 -2.187 3.608 -5.538 1.00 1.55 H new ATOM 0 HD12 LEU A 104 -1.052 3.463 -4.175 1.00 1.55 H new ATOM 0 HD13 LEU A 104 -1.697 5.058 -4.630 1.00 1.55 H new ATOM 0 HD21 LEU A 104 -1.471 4.538 -7.680 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -1.089 6.052 -6.825 1.00 1.69 H new ATOM 0 HD23 LEU A 104 0.139 5.275 -7.852 1.00 1.69 H new ATOM 1120 N ALA A 105 3.572 3.162 -5.473 1.00 0.64 N ATOM 1121 CA ALA A 105 3.917 1.753 -5.699 1.00 0.67 C ATOM 1122 C ALA A 105 3.699 0.872 -4.451 1.00 0.62 C ATOM 1123 O ALA A 105 4.103 1.243 -3.346 1.00 0.63 O ATOM 1124 CB ALA A 105 5.348 1.664 -6.231 1.00 0.79 C ATOM 0 H ALA A 105 3.925 3.528 -4.589 1.00 0.64 H new ATOM 0 HA ALA A 105 3.235 1.350 -6.448 1.00 0.67 H new ATOM 0 HB1 ALA A 105 5.609 0.619 -6.400 1.00 0.79 H new ATOM 0 HB2 ALA A 105 5.422 2.213 -7.170 1.00 0.79 H new ATOM 0 HB3 ALA A 105 6.034 2.096 -5.503 1.00 0.79 H new ATOM 1130 N ILE A 106 3.087 -0.305 -4.627 1.00 0.63 N ATOM 1131 CA ILE A 106 2.940 -1.333 -3.584 1.00 0.58 C ATOM 1132 C ILE A 106 3.848 -2.546 -3.811 1.00 0.54 C ATOM 1133 O ILE A 106 4.208 -2.882 -4.939 1.00 0.57 O ATOM 1134 CB ILE A 106 1.473 -1.796 -3.424 1.00 0.68 C ATOM 1135 CG1 ILE A 106 1.006 -2.675 -4.611 1.00 0.90 C ATOM 1136 CG2 ILE A 106 0.560 -0.594 -3.135 1.00 0.77 C ATOM 1137 CD1 ILE A 106 -0.462 -3.094 -4.567 1.00 0.93 C ATOM 0 H ILE A 106 2.670 -0.577 -5.517 1.00 0.63 H new ATOM 0 HA ILE A 106 3.254 -0.851 -2.658 1.00 0.58 H new ATOM 0 HB ILE A 106 1.405 -2.451 -2.555 1.00 0.68 H new ATOM 0 HG12 ILE A 106 1.185 -2.131 -5.538 1.00 0.90 H new ATOM 0 HG13 ILE A 106 1.623 -3.573 -4.643 1.00 0.90 H new ATOM 0 HG21 ILE A 106 -0.469 -0.937 -3.025 1.00 0.77 H new ATOM 0 HG22 ILE A 106 0.881 -0.107 -2.214 1.00 0.77 H new ATOM 0 HG23 ILE A 106 0.620 0.115 -3.961 1.00 0.77 H new ATOM 0 HD11 ILE A 106 -0.692 -3.706 -5.439 1.00 0.93 H new ATOM 0 HD12 ILE A 106 -0.649 -3.670 -3.661 1.00 0.93 H new ATOM 0 HD13 ILE A 106 -1.094 -2.206 -4.570 1.00 0.93 H new ATOM 1149 N GLN A 107 4.115 -3.263 -2.721 1.00 0.54 N ATOM 1150 CA GLN A 107 4.557 -4.655 -2.707 1.00 0.58 C ATOM 1151 C GLN A 107 3.604 -5.445 -1.786 1.00 0.59 C ATOM 1152 O GLN A 107 3.489 -5.125 -0.603 1.00 0.65 O ATOM 1153 CB GLN A 107 6.027 -4.717 -2.245 1.00 0.69 C ATOM 1154 CG GLN A 107 7.001 -4.018 -3.221 1.00 0.85 C ATOM 1155 CD GLN A 107 8.454 -4.030 -2.745 1.00 2.00 C ATOM 1156 OE1 GLN A 107 8.752 -3.949 -1.559 1.00 3.13 O ATOM 1157 NE2 GLN A 107 9.410 -4.117 -3.644 1.00 2.67 N ATOM 0 H GLN A 107 4.025 -2.872 -1.783 1.00 0.54 H new ATOM 0 HA GLN A 107 4.520 -5.104 -3.700 1.00 0.58 H new ATOM 0 HB2 GLN A 107 6.112 -4.253 -1.262 1.00 0.69 H new ATOM 0 HB3 GLN A 107 6.322 -5.760 -2.132 1.00 0.69 H new ATOM 0 HG2 GLN A 107 6.941 -4.507 -4.193 1.00 0.85 H new ATOM 0 HG3 GLN A 107 6.682 -2.985 -3.363 1.00 0.85 H new ATOM 0 HE21 GLN A 107 9.174 -4.185 -4.634 1.00 2.67 H new ATOM 0 HE22 GLN A 107 10.387 -4.117 -3.351 1.00 2.67 H new ATOM 1166 N ALA A 108 2.887 -6.434 -2.336 1.00 0.62 N ATOM 1167 CA ALA A 108 1.789 -7.173 -1.698 1.00 0.57 C ATOM 1168 C ALA A 108 2.130 -8.671 -1.569 1.00 0.64 C ATOM 1169 O ALA A 108 2.075 -9.404 -2.557 1.00 0.99 O ATOM 1170 CB ALA A 108 0.514 -6.920 -2.517 1.00 0.67 C ATOM 0 H ALA A 108 3.066 -6.757 -3.287 1.00 0.62 H new ATOM 0 HA ALA A 108 1.629 -6.822 -0.678 1.00 0.57 H new ATOM 0 HB1 ALA A 108 -0.320 -7.457 -2.066 1.00 0.67 H new ATOM 0 HB2 ALA A 108 0.295 -5.852 -2.528 1.00 0.67 H new ATOM 0 HB3 ALA A 108 0.662 -7.271 -3.538 1.00 0.67 H new ATOM 1176 N ARG A 109 2.525 -9.120 -0.368 1.00 0.53 N ATOM 1177 CA ARG A 109 3.274 -10.385 -0.138 1.00 0.55 C ATOM 1178 C ARG A 109 2.737 -11.241 1.046 1.00 0.64 C ATOM 1179 O ARG A 109 1.739 -10.881 1.677 1.00 0.66 O ATOM 1180 CB ARG A 109 4.769 -10.000 0.007 1.00 0.78 C ATOM 1181 CG ARG A 109 5.662 -10.222 -1.229 1.00 1.15 C ATOM 1182 CD ARG A 109 5.378 -9.313 -2.436 1.00 1.54 C ATOM 1183 NE ARG A 109 6.537 -9.300 -3.345 1.00 1.82 N ATOM 1184 CZ ARG A 109 6.864 -8.377 -4.230 1.00 2.31 C ATOM 1185 NH1 ARG A 109 6.073 -7.420 -4.610 1.00 3.40 N ATOM 1186 NH2 ARG A 109 8.043 -8.355 -4.767 1.00 2.55 N ATOM 0 H ARG A 109 2.333 -8.610 0.494 1.00 0.53 H new ATOM 0 HA ARG A 109 3.133 -11.052 -0.989 1.00 0.55 H new ATOM 0 HB2 ARG A 109 4.824 -8.947 0.282 1.00 0.78 H new ATOM 0 HB3 ARG A 109 5.188 -10.569 0.837 1.00 0.78 H new ATOM 0 HG2 ARG A 109 6.701 -10.084 -0.931 1.00 1.15 H new ATOM 0 HG3 ARG A 109 5.557 -11.259 -1.547 1.00 1.15 H new ATOM 0 HD2 ARG A 109 4.494 -9.666 -2.967 1.00 1.54 H new ATOM 0 HD3 ARG A 109 5.162 -8.300 -2.095 1.00 1.54 H new ATOM 0 HE ARG A 109 7.164 -10.102 -3.283 1.00 1.82 H new ATOM 0 HH11 ARG A 109 5.134 -7.349 -4.219 1.00 3.40 H new ATOM 0 HH12 ARG A 109 6.391 -6.739 -5.300 1.00 3.40 H new ATOM 0 HH21 ARG A 109 8.735 -9.058 -4.507 1.00 2.55 H new ATOM 0 HH22 ARG A 109 8.279 -7.635 -5.449 1.00 2.55 H new ATOM 1200 N THR A 110 3.383 -12.375 1.363 1.00 0.80 N ATOM 1201 CA THR A 110 2.926 -13.383 2.357 1.00 0.92 C ATOM 1202 C THR A 110 3.719 -13.420 3.685 1.00 0.87 C ATOM 1203 O THR A 110 4.930 -13.144 3.717 1.00 0.88 O ATOM 1204 CB THR A 110 2.908 -14.809 1.767 1.00 1.25 C ATOM 1205 OG1 THR A 110 4.205 -15.358 1.677 1.00 1.52 O ATOM 1206 CG2 THR A 110 2.273 -14.868 0.380 1.00 1.62 C ATOM 0 H THR A 110 4.268 -12.632 0.925 1.00 0.80 H new ATOM 0 HA THR A 110 1.918 -13.046 2.597 1.00 0.92 H new ATOM 0 HB THR A 110 2.303 -15.393 2.461 1.00 1.25 H new ATOM 0 HG1 THR A 110 4.707 -14.897 0.973 1.00 1.52 H new ATOM 0 HG21 THR A 110 2.289 -15.895 0.016 1.00 1.62 H new ATOM 0 HG22 THR A 110 1.242 -14.519 0.437 1.00 1.62 H new ATOM 0 HG23 THR A 110 2.834 -14.232 -0.305 1.00 1.62 H new ATOM 1214 N PRO A 111 3.083 -13.804 4.815 1.00 0.87 N ATOM 1215 CA PRO A 111 3.806 -14.037 6.061 1.00 0.93 C ATOM 1216 C PRO A 111 4.856 -15.139 5.937 1.00 0.97 C ATOM 1217 O PRO A 111 5.939 -14.974 6.487 1.00 1.11 O ATOM 1218 CB PRO A 111 2.771 -14.375 7.132 1.00 1.00 C ATOM 1219 CG PRO A 111 1.475 -14.655 6.375 1.00 0.99 C ATOM 1220 CD PRO A 111 1.652 -13.966 5.021 1.00 0.87 C ATOM 0 HA PRO A 111 4.363 -13.139 6.329 1.00 0.93 H new ATOM 0 HB2 PRO A 111 3.079 -15.242 7.716 1.00 1.00 H new ATOM 0 HB3 PRO A 111 2.646 -13.548 7.831 1.00 1.00 H new ATOM 0 HG2 PRO A 111 1.311 -15.726 6.255 1.00 0.99 H new ATOM 0 HG3 PRO A 111 0.612 -14.259 6.910 1.00 0.99 H new ATOM 0 HD2 PRO A 111 1.212 -14.564 4.223 1.00 0.87 H new ATOM 0 HD3 PRO A 111 1.148 -12.999 5.010 1.00 0.87 H new ATOM 1228 N ALA A 112 4.617 -16.217 5.183 1.00 1.01 N ATOM 1229 CA ALA A 112 5.588 -17.311 5.096 1.00 1.16 C ATOM 1230 C ALA A 112 6.931 -16.898 4.462 1.00 1.07 C ATOM 1231 O ALA A 112 7.974 -17.441 4.835 1.00 1.17 O ATOM 1232 CB ALA A 112 4.955 -18.479 4.334 1.00 1.45 C ATOM 0 H ALA A 112 3.770 -16.354 4.631 1.00 1.01 H new ATOM 0 HA ALA A 112 5.833 -17.613 6.114 1.00 1.16 H new ATOM 0 HB1 ALA A 112 5.671 -19.298 4.264 1.00 1.45 H new ATOM 0 HB2 ALA A 112 4.065 -18.819 4.863 1.00 1.45 H new ATOM 0 HB3 ALA A 112 4.679 -18.152 3.332 1.00 1.45 H new ATOM 1238 N GLN A 113 6.948 -15.917 3.554 1.00 1.02 N ATOM 1239 CA GLN A 113 8.202 -15.329 3.064 1.00 1.08 C ATOM 1240 C GLN A 113 8.716 -14.194 3.970 1.00 1.04 C ATOM 1241 O GLN A 113 9.928 -14.142 4.214 1.00 1.15 O ATOM 1242 CB GLN A 113 8.081 -14.988 1.572 1.00 1.26 C ATOM 1243 CG GLN A 113 7.320 -13.690 1.295 1.00 1.36 C ATOM 1244 CD GLN A 113 6.692 -13.651 -0.098 1.00 1.20 C ATOM 1245 OE1 GLN A 113 5.527 -13.325 -0.268 1.00 1.46 O ATOM 1246 NE2 GLN A 113 7.410 -13.951 -1.155 1.00 2.33 N ATOM 0 H GLN A 113 6.107 -15.512 3.142 1.00 1.02 H new ATOM 0 HA GLN A 113 8.997 -16.071 3.131 1.00 1.08 H new ATOM 0 HB2 GLN A 113 9.081 -14.910 1.144 1.00 1.26 H new ATOM 0 HB3 GLN A 113 7.578 -15.809 1.061 1.00 1.26 H new ATOM 0 HG2 GLN A 113 6.537 -13.567 2.044 1.00 1.36 H new ATOM 0 HG3 GLN A 113 8.001 -12.846 1.404 1.00 1.36 H new ATOM 0 HE21 GLN A 113 8.386 -14.227 -1.047 1.00 2.33 H new ATOM 0 HE22 GLN A 113 6.992 -13.908 -2.084 1.00 2.33 H new ATOM 1255 N TRP A 114 7.842 -13.355 4.563 1.00 0.95 N ATOM 1256 CA TRP A 114 8.298 -12.345 5.538 1.00 0.96 C ATOM 1257 C TRP A 114 9.000 -12.981 6.753 1.00 1.01 C ATOM 1258 O TRP A 114 10.025 -12.475 7.216 1.00 1.12 O ATOM 1259 CB TRP A 114 7.144 -11.460 6.032 1.00 0.92 C ATOM 1260 CG TRP A 114 7.564 -10.251 6.792 1.00 0.89 C ATOM 1261 CD1 TRP A 114 7.769 -10.191 8.124 1.00 1.00 C ATOM 1262 CD2 TRP A 114 7.693 -8.886 6.297 1.00 0.76 C ATOM 1263 NE1 TRP A 114 7.983 -8.879 8.497 1.00 0.84 N ATOM 1264 CE2 TRP A 114 7.845 -8.025 7.420 1.00 0.75 C ATOM 1265 CE3 TRP A 114 7.588 -8.280 5.026 1.00 0.77 C ATOM 1266 CZ2 TRP A 114 7.732 -6.635 7.302 1.00 0.91 C ATOM 1267 CZ3 TRP A 114 7.524 -6.880 4.895 1.00 0.84 C ATOM 1268 CH2 TRP A 114 7.561 -6.057 6.032 1.00 1.00 C ATOM 0 H TRP A 114 6.837 -13.356 4.389 1.00 0.95 H new ATOM 0 HA TRP A 114 9.017 -11.725 5.003 1.00 0.96 H new ATOM 0 HB2 TRP A 114 6.554 -11.144 5.172 1.00 0.92 H new ATOM 0 HB3 TRP A 114 6.490 -12.060 6.665 1.00 0.92 H new ATOM 0 HD1 TRP A 114 7.766 -11.038 8.794 1.00 1.00 H new ATOM 0 HE1 TRP A 114 8.213 -8.579 9.444 1.00 0.84 H new ATOM 0 HE3 TRP A 114 7.556 -8.899 4.142 1.00 0.77 H new ATOM 0 HZ2 TRP A 114 7.776 -6.010 8.182 1.00 0.91 H new ATOM 0 HZ3 TRP A 114 7.446 -6.436 3.914 1.00 0.84 H new ATOM 0 HH2 TRP A 114 7.459 -4.987 5.931 1.00 1.00 H new ATOM 1279 N ARG A 115 8.468 -14.110 7.239 1.00 0.98 N ATOM 1280 CA ARG A 115 8.886 -14.783 8.488 1.00 1.09 C ATOM 1281 C ARG A 115 10.179 -15.591 8.341 1.00 1.31 C ATOM 1282 O ARG A 115 10.965 -15.675 9.280 1.00 1.52 O ATOM 1283 CB ARG A 115 7.724 -15.640 9.055 1.00 1.13 C ATOM 1284 CG ARG A 115 7.568 -17.046 8.450 1.00 2.45 C ATOM 1285 CD ARG A 115 6.243 -17.713 8.854 1.00 2.71 C ATOM 1286 NE ARG A 115 6.237 -18.169 10.257 1.00 3.36 N ATOM 1287 CZ ARG A 115 5.193 -18.527 10.982 1.00 4.23 C ATOM 1288 NH1 ARG A 115 3.978 -18.459 10.524 1.00 4.72 N ATOM 1289 NH2 ARG A 115 5.377 -18.979 12.186 1.00 5.19 N ATOM 0 H ARG A 115 7.711 -14.600 6.763 1.00 0.98 H new ATOM 0 HA ARG A 115 9.121 -14.000 9.209 1.00 1.09 H new ATOM 0 HB2 ARG A 115 7.865 -15.742 10.131 1.00 1.13 H new ATOM 0 HB3 ARG A 115 6.791 -15.096 8.906 1.00 1.13 H new ATOM 0 HG2 ARG A 115 7.622 -16.979 7.363 1.00 2.45 H new ATOM 0 HG3 ARG A 115 8.400 -17.672 8.772 1.00 2.45 H new ATOM 0 HD2 ARG A 115 5.426 -17.008 8.702 1.00 2.71 H new ATOM 0 HD3 ARG A 115 6.055 -18.564 8.199 1.00 2.71 H new ATOM 0 HE ARG A 115 7.144 -18.213 10.721 1.00 3.36 H new ATOM 0 HH11 ARG A 115 3.808 -18.121 9.577 1.00 4.72 H new ATOM 0 HH12 ARG A 115 3.195 -18.744 11.112 1.00 4.72 H new ATOM 0 HH21 ARG A 115 6.322 -19.055 12.563 1.00 5.19 H new ATOM 0 HH22 ARG A 115 4.577 -19.258 12.754 1.00 5.19 H new ATOM 1303 N GLU A 116 10.387 -16.174 7.160 1.00 1.35 N ATOM 1304 CA GLU A 116 11.543 -17.015 6.828 1.00 1.69 C ATOM 1305 C GLU A 116 12.724 -16.201 6.274 1.00 1.90 C ATOM 1306 O GLU A 116 13.876 -16.478 6.613 1.00 2.30 O ATOM 1307 CB GLU A 116 11.080 -18.053 5.790 1.00 1.74 C ATOM 1308 CG GLU A 116 12.113 -19.125 5.415 1.00 2.04 C ATOM 1309 CD GLU A 116 12.279 -20.215 6.478 1.00 2.93 C ATOM 1310 OE1 GLU A 116 13.321 -20.251 7.179 1.00 4.07 O ATOM 1311 OE2 GLU A 116 11.381 -21.084 6.591 1.00 3.51 O ATOM 0 H GLU A 116 9.736 -16.072 6.381 1.00 1.35 H new ATOM 0 HA GLU A 116 11.903 -17.496 7.737 1.00 1.69 H new ATOM 0 HB2 GLU A 116 10.189 -18.551 6.173 1.00 1.74 H new ATOM 0 HB3 GLU A 116 10.785 -17.526 4.883 1.00 1.74 H new ATOM 0 HG2 GLU A 116 11.818 -19.589 4.474 1.00 2.04 H new ATOM 0 HG3 GLU A 116 13.077 -18.645 5.245 1.00 2.04 H new ATOM 1318 N ASN A 117 12.453 -15.227 5.396 1.00 1.78 N ATOM 1319 CA ASN A 117 13.463 -14.660 4.492 1.00 2.16 C ATOM 1320 C ASN A 117 13.413 -13.124 4.370 1.00 2.38 C ATOM 1321 O ASN A 117 14.321 -12.517 3.797 1.00 2.96 O ATOM 1322 CB ASN A 117 13.214 -15.337 3.130 1.00 2.36 C ATOM 1323 CG ASN A 117 14.285 -15.043 2.098 1.00 2.91 C ATOM 1324 OD1 ASN A 117 14.091 -14.233 1.203 1.00 3.24 O ATOM 1325 ND2 ASN A 117 15.425 -15.683 2.176 1.00 3.91 N ATOM 0 H ASN A 117 11.528 -14.810 5.292 1.00 1.78 H new ATOM 0 HA ASN A 117 14.461 -14.854 4.886 1.00 2.16 H new ATOM 0 HB2 ASN A 117 13.150 -16.415 3.277 1.00 2.36 H new ATOM 0 HB3 ASN A 117 12.249 -15.010 2.743 1.00 2.36 H new ATOM 0 HD21 ASN A 117 16.157 -15.507 1.488 1.00 3.91 H new ATOM 0 HD22 ASN A 117 15.581 -16.358 2.925 1.00 3.91 H new ATOM 1332 N SER A 118 12.319 -12.495 4.816 1.00 2.54 N ATOM 1333 CA SER A 118 11.868 -11.133 4.463 1.00 3.24 C ATOM 1334 C SER A 118 11.547 -10.943 2.967 1.00 3.22 C ATOM 1335 O SER A 118 10.679 -10.143 2.633 1.00 3.63 O ATOM 1336 CB SER A 118 12.837 -10.049 4.966 1.00 4.15 C ATOM 1337 OG SER A 118 13.232 -10.278 6.312 1.00 5.45 O ATOM 0 H SER A 118 11.683 -12.946 5.473 1.00 2.54 H new ATOM 0 HA SER A 118 10.922 -11.011 4.990 1.00 3.24 H new ATOM 0 HB2 SER A 118 13.720 -10.026 4.327 1.00 4.15 H new ATOM 0 HB3 SER A 118 12.361 -9.071 4.888 1.00 4.15 H new ATOM 0 HG SER A 118 13.848 -9.571 6.597 1.00 5.45 H new TER 1343 SER A 118