USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 381 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 38 GLN : amide:sc= -6.98! C(o=-6.1!,f=-23!) USER MOD Set 1.2: A 42 LYS NZ :NH3+ -165:sc= 0.834 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 24:sc= 0.524 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00329 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc=-0.00201 (180deg=-0.0926) USER MOD Single : A 39 MET CE :methyl -130:sc= -0.194 (180deg=-1.18) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 155:sc= -4.26! (180deg=-6.34!) USER MOD Single : A 48 GLN : amide:sc= -4.07! C(o=-4.1!,f=-12!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0316 F(o=-2!,f=-0.032) USER MOD Single : A 54 SER OG : rot 180:sc= -1.32 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= 0.116 (180deg=-2.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.794 K(o=-0.79,f=-2.6) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.0678 (180deg=-0.105) USER MOD Single : A 75 SER OG : rot 60:sc= -1.2! USER MOD Single : A 77 LYS NZ :NH3+ -116:sc= 0.415! (180deg=-2.37!) USER MOD Single : A 78 HIS : no HD1:sc= -2.65 K(o=-2.7,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 23 -16.328 -5.074 4.181 1.00 12.87 N ATOM 2 CA THR A 23 -16.436 -4.060 5.216 1.00 12.40 C ATOM 3 C THR A 23 -16.663 -2.687 4.595 1.00 11.26 C ATOM 4 O THR A 23 -15.965 -1.724 4.908 1.00 10.91 O ATOM 5 CB THR A 23 -15.170 -4.020 6.084 1.00 13.02 C ATOM 6 OG1 THR A 23 -14.632 -5.347 6.200 1.00 14.04 O ATOM 7 CG2 THR A 23 -15.465 -3.465 7.466 1.00 13.11 C ATOM 0 HA THR A 23 -17.287 -4.320 5.845 1.00 12.40 H new ATOM 0 HB THR A 23 -14.445 -3.362 5.605 1.00 13.02 H new ATOM 0 HG1 THR A 23 -14.929 -5.888 5.439 1.00 14.04 H new ATOM 0 HG21 THR A 23 -14.548 -3.450 8.055 1.00 13.11 H new ATOM 0 HG22 THR A 23 -15.855 -2.451 7.375 1.00 13.11 H new ATOM 0 HG23 THR A 23 -16.204 -4.095 7.961 1.00 13.11 H new ATOM 13 N SER A 24 -17.627 -2.605 3.701 1.00 10.84 N ATOM 14 CA SER A 24 -17.927 -1.351 3.042 1.00 9.88 C ATOM 15 C SER A 24 -16.630 -0.687 2.594 1.00 8.88 C ATOM 16 O SER A 24 -15.604 -1.349 2.448 1.00 8.94 O ATOM 17 CB SER A 24 -18.687 -0.438 4.001 1.00 10.08 C ATOM 18 OG SER A 24 -19.533 -1.193 4.855 1.00 11.21 O ATOM 0 H SER A 24 -18.214 -3.389 3.415 1.00 10.84 H new ATOM 0 HA SER A 24 -18.549 -1.537 2.166 1.00 9.88 H new ATOM 0 HB2 SER A 24 -17.980 0.137 4.599 1.00 10.08 H new ATOM 0 HB3 SER A 24 -19.282 0.278 3.434 1.00 10.08 H new ATOM 0 HG SER A 24 -20.009 -0.588 5.462 1.00 11.21 H new ATOM 24 N SER A 25 -16.663 0.611 2.377 1.00 8.15 N ATOM 25 CA SER A 25 -15.472 1.316 1.965 1.00 7.30 C ATOM 26 C SER A 25 -14.328 1.008 2.925 1.00 6.57 C ATOM 27 O SER A 25 -13.159 1.025 2.545 1.00 5.75 O ATOM 28 CB SER A 25 -15.737 2.819 1.924 1.00 6.88 C ATOM 29 OG SER A 25 -16.963 3.096 1.265 1.00 7.76 O ATOM 0 H SER A 25 -17.494 1.193 2.478 1.00 8.15 H new ATOM 0 HA SER A 25 -15.193 0.985 0.965 1.00 7.30 H new ATOM 0 HB2 SER A 25 -15.767 3.216 2.939 1.00 6.88 H new ATOM 0 HB3 SER A 25 -14.920 3.323 1.408 1.00 6.88 H new ATOM 0 HG SER A 25 -17.115 4.064 1.251 1.00 7.76 H new ATOM 35 N LEU A 26 -14.679 0.679 4.162 1.00 7.14 N ATOM 36 CA LEU A 26 -13.687 0.385 5.184 1.00 6.89 C ATOM 37 C LEU A 26 -12.795 -0.774 4.764 1.00 6.55 C ATOM 38 O LEU A 26 -11.668 -0.906 5.243 1.00 6.21 O ATOM 39 CB LEU A 26 -14.354 0.072 6.527 1.00 8.07 C ATOM 40 CG LEU A 26 -14.952 1.276 7.252 1.00 8.57 C ATOM 41 CD1 LEU A 26 -16.212 1.754 6.549 1.00 8.82 C ATOM 42 CD2 LEU A 26 -15.244 0.928 8.704 1.00 8.94 C ATOM 0 H LEU A 26 -15.646 0.609 4.480 1.00 7.14 H new ATOM 0 HA LEU A 26 -13.068 1.274 5.303 1.00 6.89 H new ATOM 0 HB2 LEU A 26 -15.144 -0.661 6.360 1.00 8.07 H new ATOM 0 HB3 LEU A 26 -13.617 -0.396 7.180 1.00 8.07 H new ATOM 0 HG LEU A 26 -14.225 2.088 7.232 1.00 8.57 H new ATOM 0 HD11 LEU A 26 -16.622 2.612 7.081 1.00 8.82 H new ATOM 0 HD12 LEU A 26 -15.971 2.043 5.526 1.00 8.82 H new ATOM 0 HD13 LEU A 26 -16.948 0.950 6.535 1.00 8.82 H new ATOM 0 HD21 LEU A 26 -15.670 1.796 9.208 1.00 8.94 H new ATOM 0 HD22 LEU A 26 -15.953 0.101 8.744 1.00 8.94 H new ATOM 0 HD23 LEU A 26 -14.319 0.637 9.202 1.00 8.94 H new ATOM 50 N GLU A 27 -13.284 -1.614 3.869 1.00 6.94 N ATOM 51 CA GLU A 27 -12.498 -2.747 3.418 1.00 7.02 C ATOM 52 C GLU A 27 -11.668 -2.391 2.194 1.00 6.28 C ATOM 53 O GLU A 27 -10.842 -3.182 1.746 1.00 6.42 O ATOM 54 CB GLU A 27 -13.387 -3.957 3.119 1.00 8.04 C ATOM 55 CG GLU A 27 -14.234 -3.819 1.871 1.00 8.35 C ATOM 56 CD GLU A 27 -14.625 -5.160 1.298 1.00 9.32 C ATOM 57 OE1 GLU A 27 -15.599 -5.763 1.801 1.00 9.75 O ATOM 58 OE2 GLU A 27 -13.960 -5.631 0.349 1.00 9.81 O ATOM 0 H GLU A 27 -14.209 -1.535 3.445 1.00 6.94 H new ATOM 0 HA GLU A 27 -11.819 -3.011 4.229 1.00 7.02 H new ATOM 0 HB2 GLU A 27 -12.756 -4.840 3.019 1.00 8.04 H new ATOM 0 HB3 GLU A 27 -14.044 -4.129 3.972 1.00 8.04 H new ATOM 0 HG2 GLU A 27 -15.133 -3.249 2.105 1.00 8.35 H new ATOM 0 HG3 GLU A 27 -13.683 -3.251 1.121 1.00 8.35 H new ATOM 65 N THR A 28 -11.878 -1.199 1.658 1.00 5.77 N ATOM 66 CA THR A 28 -11.147 -0.763 0.482 1.00 5.34 C ATOM 67 C THR A 28 -10.627 0.656 0.661 1.00 4.42 C ATOM 68 O THR A 28 -9.961 1.215 -0.214 1.00 4.45 O ATOM 69 CB THR A 28 -12.042 -0.839 -0.758 1.00 6.15 C ATOM 70 OG1 THR A 28 -13.165 -1.694 -0.487 1.00 6.89 O ATOM 71 CG2 THR A 28 -11.266 -1.388 -1.937 1.00 6.42 C ATOM 0 H THR A 28 -12.547 -0.519 2.018 1.00 5.77 H new ATOM 0 HA THR A 28 -10.294 -1.428 0.347 1.00 5.34 H new ATOM 0 HB THR A 28 -12.391 0.165 -1.001 1.00 6.15 H new ATOM 0 HG1 THR A 28 -13.739 -1.741 -1.280 1.00 6.89 H new ATOM 0 HG21 THR A 28 -11.916 -1.436 -2.810 1.00 6.42 H new ATOM 0 HG22 THR A 28 -10.419 -0.736 -2.151 1.00 6.42 H new ATOM 0 HG23 THR A 28 -10.903 -2.388 -1.700 1.00 6.42 H new ATOM 77 N ILE A 29 -10.922 1.221 1.817 1.00 4.01 N ATOM 78 CA ILE A 29 -10.514 2.553 2.150 1.00 3.56 C ATOM 79 C ILE A 29 -9.034 2.746 1.920 1.00 3.24 C ATOM 80 O ILE A 29 -8.275 1.779 1.851 1.00 3.39 O ATOM 81 CB ILE A 29 -10.800 2.820 3.618 1.00 3.83 C ATOM 82 CG1 ILE A 29 -10.506 1.565 4.432 1.00 4.31 C ATOM 83 CG2 ILE A 29 -12.230 3.303 3.823 1.00 4.34 C ATOM 84 CD1 ILE A 29 -10.420 1.820 5.914 1.00 5.20 C ATOM 0 H ILE A 29 -11.457 0.756 2.551 1.00 4.01 H new ATOM 0 HA ILE A 29 -11.070 3.240 1.512 1.00 3.56 H new ATOM 0 HB ILE A 29 -10.146 3.619 3.967 1.00 3.83 H new ATOM 0 HG12 ILE A 29 -11.285 0.827 4.242 1.00 4.31 H new ATOM 0 HG13 ILE A 29 -9.566 1.131 4.090 1.00 4.31 H new ATOM 0 HG21 ILE A 29 -12.404 3.485 4.883 1.00 4.34 H new ATOM 0 HG22 ILE A 29 -12.385 4.227 3.266 1.00 4.34 H new ATOM 0 HG23 ILE A 29 -12.925 2.543 3.467 1.00 4.34 H new ATOM 0 HD11 ILE A 29 -10.209 0.885 6.432 1.00 5.20 H new ATOM 0 HD12 ILE A 29 -9.622 2.534 6.115 1.00 5.20 H new ATOM 0 HD13 ILE A 29 -11.367 2.226 6.269 1.00 5.20 H new ATOM 91 N GLU A 30 -8.617 3.994 1.833 1.00 3.49 N ATOM 92 CA GLU A 30 -7.221 4.306 1.633 1.00 3.95 C ATOM 93 C GLU A 30 -6.424 3.806 2.819 1.00 4.11 C ATOM 94 O GLU A 30 -5.222 3.550 2.742 1.00 4.90 O ATOM 95 CB GLU A 30 -7.038 5.809 1.448 1.00 4.63 C ATOM 96 CG GLU A 30 -7.618 6.614 2.590 1.00 4.77 C ATOM 97 CD GLU A 30 -7.108 8.032 2.607 1.00 5.42 C ATOM 98 OE1 GLU A 30 -7.496 8.817 1.713 1.00 5.89 O ATOM 99 OE2 GLU A 30 -6.309 8.371 3.507 1.00 5.77 O ATOM 0 H GLU A 30 -9.229 4.808 1.898 1.00 3.49 H new ATOM 0 HA GLU A 30 -6.860 3.811 0.731 1.00 3.95 H new ATOM 0 HB2 GLU A 30 -5.975 6.032 1.355 1.00 4.63 H new ATOM 0 HB3 GLU A 30 -7.511 6.116 0.515 1.00 4.63 H new ATOM 0 HG2 GLU A 30 -8.705 6.622 2.511 1.00 4.77 H new ATOM 0 HG3 GLU A 30 -7.371 6.130 3.535 1.00 4.77 H new ATOM 106 N GLY A 31 -7.138 3.633 3.899 1.00 3.73 N ATOM 107 CA GLY A 31 -6.545 3.161 5.132 1.00 4.17 C ATOM 108 C GLY A 31 -7.011 1.780 5.482 1.00 3.45 C ATOM 109 O GLY A 31 -7.217 1.448 6.646 1.00 3.82 O ATOM 0 H GLY A 31 -8.141 3.812 3.954 1.00 3.73 H new ATOM 0 HA2 GLY A 31 -5.459 3.165 5.038 1.00 4.17 H new ATOM 0 HA3 GLY A 31 -6.797 3.846 5.942 1.00 4.17 H new ATOM 113 N VAL A 32 -7.219 0.991 4.452 1.00 2.72 N ATOM 114 CA VAL A 32 -7.620 -0.387 4.618 1.00 2.24 C ATOM 115 C VAL A 32 -6.741 -1.089 5.637 1.00 2.14 C ATOM 116 O VAL A 32 -5.911 -0.487 6.320 1.00 2.77 O ATOM 117 CB VAL A 32 -7.537 -1.159 3.288 1.00 2.31 C ATOM 118 CG1 VAL A 32 -8.922 -1.362 2.708 1.00 2.61 C ATOM 119 CG2 VAL A 32 -6.647 -0.433 2.298 1.00 2.78 C ATOM 0 H VAL A 32 -7.116 1.285 3.481 1.00 2.72 H new ATOM 0 HA VAL A 32 -8.653 -0.376 4.966 1.00 2.24 H new ATOM 0 HB VAL A 32 -7.097 -2.136 3.487 1.00 2.31 H new ATOM 0 HG11 VAL A 32 -8.846 -1.909 1.768 1.00 2.61 H new ATOM 0 HG12 VAL A 32 -9.531 -1.931 3.411 1.00 2.61 H new ATOM 0 HG13 VAL A 32 -9.386 -0.393 2.527 1.00 2.61 H new ATOM 0 HG21 VAL A 32 -6.604 -0.997 1.366 1.00 2.78 H new ATOM 0 HG22 VAL A 32 -7.054 0.559 2.103 1.00 2.78 H new ATOM 0 HG23 VAL A 32 -5.643 -0.339 2.712 1.00 2.78 H new ATOM 125 N GLY A 33 -6.930 -2.374 5.677 1.00 1.69 N ATOM 126 CA GLY A 33 -6.232 -3.251 6.583 1.00 1.86 C ATOM 127 C GLY A 33 -6.675 -4.674 6.332 1.00 1.69 C ATOM 128 O GLY A 33 -5.859 -5.592 6.285 1.00 1.88 O ATOM 0 H GLY A 33 -7.589 -2.858 5.067 1.00 1.69 H new ATOM 0 HA2 GLY A 33 -5.155 -3.161 6.439 1.00 1.86 H new ATOM 0 HA3 GLY A 33 -6.440 -2.969 7.615 1.00 1.86 H new ATOM 132 N PRO A 34 -7.991 -4.879 6.142 1.00 1.60 N ATOM 133 CA PRO A 34 -8.575 -6.177 5.844 1.00 1.62 C ATOM 134 C PRO A 34 -7.647 -7.049 4.996 1.00 1.33 C ATOM 135 O PRO A 34 -7.521 -8.248 5.239 1.00 1.51 O ATOM 136 CB PRO A 34 -9.852 -5.798 5.067 1.00 1.79 C ATOM 137 CG PRO A 34 -9.939 -4.301 5.116 1.00 1.90 C ATOM 138 CD PRO A 34 -9.052 -3.879 6.240 1.00 1.84 C ATOM 0 HA PRO A 34 -8.764 -6.772 6.737 1.00 1.62 H new ATOM 0 HB2 PRO A 34 -9.801 -6.152 4.037 1.00 1.79 H new ATOM 0 HB3 PRO A 34 -10.733 -6.255 5.518 1.00 1.79 H new ATOM 0 HG2 PRO A 34 -9.614 -3.859 4.174 1.00 1.90 H new ATOM 0 HG3 PRO A 34 -10.965 -3.974 5.284 1.00 1.90 H new ATOM 0 HD2 PRO A 34 -8.676 -2.864 6.111 1.00 1.84 H new ATOM 0 HD3 PRO A 34 -9.562 -3.910 7.203 1.00 1.84 H new ATOM 146 N LYS A 35 -7.007 -6.447 3.998 1.00 1.11 N ATOM 147 CA LYS A 35 -6.072 -7.172 3.134 1.00 0.99 C ATOM 148 C LYS A 35 -5.617 -6.308 1.969 1.00 0.77 C ATOM 149 O LYS A 35 -4.518 -6.474 1.439 1.00 0.72 O ATOM 150 CB LYS A 35 -6.699 -8.451 2.599 1.00 1.27 C ATOM 151 CG LYS A 35 -7.893 -8.224 1.690 1.00 1.65 C ATOM 152 CD LYS A 35 -8.462 -9.545 1.212 1.00 2.10 C ATOM 153 CE LYS A 35 -9.710 -9.357 0.371 1.00 2.80 C ATOM 154 NZ LYS A 35 -10.853 -8.862 1.177 1.00 3.09 N ATOM 0 H LYS A 35 -7.116 -5.460 3.765 1.00 1.11 H new ATOM 0 HA LYS A 35 -5.206 -7.429 3.743 1.00 0.99 H new ATOM 0 HB2 LYS A 35 -5.942 -9.013 2.052 1.00 1.27 H new ATOM 0 HB3 LYS A 35 -7.009 -9.070 3.441 1.00 1.27 H new ATOM 0 HG2 LYS A 35 -8.661 -7.663 2.223 1.00 1.65 H new ATOM 0 HG3 LYS A 35 -7.594 -7.620 0.833 1.00 1.65 H new ATOM 0 HD2 LYS A 35 -7.708 -10.074 0.629 1.00 2.10 H new ATOM 0 HD3 LYS A 35 -8.696 -10.171 2.073 1.00 2.10 H new ATOM 0 HE2 LYS A 35 -9.502 -8.652 -0.434 1.00 2.80 H new ATOM 0 HE3 LYS A 35 -9.979 -10.305 -0.096 1.00 2.80 H new ATOM 0 HZ1 LYS A 35 -11.720 -8.892 0.604 1.00 3.09 H new ATOM 0 HZ2 LYS A 35 -10.972 -9.464 2.017 1.00 3.09 H new ATOM 0 HZ3 LYS A 35 -10.669 -7.883 1.476 1.00 3.09 H new ATOM 168 N ARG A 36 -6.466 -5.380 1.583 1.00 0.85 N ATOM 169 CA ARG A 36 -6.175 -4.491 0.487 1.00 0.99 C ATOM 170 C ARG A 36 -4.746 -3.969 0.575 1.00 0.92 C ATOM 171 O ARG A 36 -4.043 -3.892 -0.427 1.00 0.97 O ATOM 172 CB ARG A 36 -7.167 -3.336 0.509 1.00 1.30 C ATOM 173 CG ARG A 36 -7.130 -2.503 -0.744 1.00 2.08 C ATOM 174 CD ARG A 36 -6.360 -1.208 -0.560 1.00 1.96 C ATOM 175 NE ARG A 36 -6.093 -0.553 -1.834 1.00 2.69 N ATOM 176 CZ ARG A 36 -6.734 0.529 -2.273 1.00 3.46 C ATOM 177 NH1 ARG A 36 -7.694 1.082 -1.540 1.00 3.76 N ATOM 178 NH2 ARG A 36 -6.418 1.060 -3.450 1.00 4.32 N ATOM 0 H ARG A 36 -7.374 -5.223 2.021 1.00 0.85 H new ATOM 0 HA ARG A 36 -6.270 -5.037 -0.452 1.00 0.99 H new ATOM 0 HB2 ARG A 36 -8.173 -3.732 0.646 1.00 1.30 H new ATOM 0 HB3 ARG A 36 -6.955 -2.699 1.368 1.00 1.30 H new ATOM 0 HG2 ARG A 36 -6.674 -3.082 -1.547 1.00 2.08 H new ATOM 0 HG3 ARG A 36 -8.150 -2.274 -1.054 1.00 2.08 H new ATOM 0 HD2 ARG A 36 -6.928 -0.535 0.083 1.00 1.96 H new ATOM 0 HD3 ARG A 36 -5.418 -1.414 -0.052 1.00 1.96 H new ATOM 0 HE ARG A 36 -5.366 -0.950 -2.430 1.00 2.69 H new ATOM 0 HH11 ARG A 36 -7.943 0.678 -0.637 1.00 3.76 H new ATOM 0 HH12 ARG A 36 -8.182 1.911 -1.880 1.00 3.76 H new ATOM 0 HH21 ARG A 36 -5.683 0.639 -4.019 1.00 4.32 H new ATOM 0 HH22 ARG A 36 -6.910 1.889 -3.784 1.00 4.32 H new ATOM 190 N ARG A 37 -4.316 -3.609 1.774 1.00 0.98 N ATOM 191 CA ARG A 37 -2.955 -3.124 1.957 1.00 1.15 C ATOM 192 C ARG A 37 -2.003 -4.300 1.826 1.00 0.98 C ATOM 193 O ARG A 37 -0.919 -4.193 1.252 1.00 1.10 O ATOM 194 CB ARG A 37 -2.786 -2.452 3.323 1.00 1.43 C ATOM 195 CG ARG A 37 -3.673 -1.237 3.517 1.00 1.65 C ATOM 196 CD ARG A 37 -3.137 -0.027 2.774 1.00 2.38 C ATOM 197 NE ARG A 37 -2.023 0.602 3.481 1.00 2.87 N ATOM 198 CZ ARG A 37 -2.053 1.840 3.977 1.00 3.44 C ATOM 199 NH1 ARG A 37 -3.136 2.596 3.836 1.00 3.74 N ATOM 200 NH2 ARG A 37 -0.993 2.330 4.607 1.00 4.10 N ATOM 0 H ARG A 37 -4.879 -3.642 2.624 1.00 0.98 H new ATOM 0 HA ARG A 37 -2.734 -2.376 1.196 1.00 1.15 H new ATOM 0 HB2 ARG A 37 -3.004 -3.179 4.105 1.00 1.43 H new ATOM 0 HB3 ARG A 37 -1.745 -2.154 3.446 1.00 1.43 H new ATOM 0 HG2 ARG A 37 -4.680 -1.462 3.167 1.00 1.65 H new ATOM 0 HG3 ARG A 37 -3.749 -1.007 4.580 1.00 1.65 H new ATOM 0 HD2 ARG A 37 -2.810 -0.328 1.779 1.00 2.38 H new ATOM 0 HD3 ARG A 37 -3.938 0.700 2.640 1.00 2.38 H new ATOM 0 HE ARG A 37 -1.168 0.060 3.603 1.00 2.87 H new ATOM 0 HH11 ARG A 37 -3.953 2.231 3.346 1.00 3.74 H new ATOM 0 HH12 ARG A 37 -3.151 3.542 4.218 1.00 3.74 H new ATOM 0 HH21 ARG A 37 -0.154 1.760 4.713 1.00 4.10 H new ATOM 0 HH22 ARG A 37 -1.017 3.277 4.986 1.00 4.10 H new ATOM 212 N GLN A 38 -2.436 -5.433 2.348 1.00 0.83 N ATOM 213 CA GLN A 38 -1.648 -6.651 2.288 1.00 0.84 C ATOM 214 C GLN A 38 -1.326 -6.979 0.852 1.00 0.68 C ATOM 215 O GLN A 38 -0.291 -7.578 0.558 1.00 0.73 O ATOM 216 CB GLN A 38 -2.397 -7.813 2.920 1.00 0.91 C ATOM 217 CG GLN A 38 -1.869 -8.194 4.283 1.00 1.48 C ATOM 218 CD GLN A 38 -0.469 -8.771 4.235 1.00 1.79 C ATOM 219 OE1 GLN A 38 -0.093 -9.437 3.272 1.00 2.13 O ATOM 220 NE2 GLN A 38 0.317 -8.516 5.271 1.00 2.29 N ATOM 0 H GLN A 38 -3.334 -5.535 2.821 1.00 0.83 H new ATOM 0 HA GLN A 38 -0.725 -6.490 2.844 1.00 0.84 H new ATOM 0 HB2 GLN A 38 -3.452 -7.552 3.007 1.00 0.91 H new ATOM 0 HB3 GLN A 38 -2.336 -8.678 2.260 1.00 0.91 H new ATOM 0 HG2 GLN A 38 -1.872 -7.314 4.927 1.00 1.48 H new ATOM 0 HG3 GLN A 38 -2.541 -8.923 4.736 1.00 1.48 H new ATOM 0 HE21 GLN A 38 -0.032 -7.959 6.051 1.00 2.29 H new ATOM 0 HE22 GLN A 38 1.271 -8.876 5.288 1.00 2.29 H new ATOM 228 N MET A 39 -2.214 -6.587 -0.040 1.00 0.59 N ATOM 229 CA MET A 39 -1.989 -6.829 -1.451 1.00 0.57 C ATOM 230 C MET A 39 -0.525 -6.566 -1.719 1.00 0.45 C ATOM 231 O MET A 39 0.134 -7.279 -2.474 1.00 0.46 O ATOM 232 CB MET A 39 -2.858 -5.906 -2.310 1.00 0.72 C ATOM 233 CG MET A 39 -4.349 -6.168 -2.178 1.00 0.86 C ATOM 234 SD MET A 39 -5.343 -4.974 -3.102 1.00 1.35 S ATOM 235 CE MET A 39 -6.966 -5.731 -2.997 1.00 2.17 C ATOM 0 H MET A 39 -3.086 -6.106 0.182 1.00 0.59 H new ATOM 0 HA MET A 39 -2.256 -7.854 -1.707 1.00 0.57 H new ATOM 0 HB2 MET A 39 -2.655 -4.871 -2.034 1.00 0.72 H new ATOM 0 HB3 MET A 39 -2.570 -6.020 -3.355 1.00 0.72 H new ATOM 0 HG2 MET A 39 -4.571 -7.174 -2.534 1.00 0.86 H new ATOM 0 HG3 MET A 39 -4.630 -6.133 -1.125 1.00 0.86 H new ATOM 0 HE1 MET A 39 -7.408 -5.783 -3.992 1.00 2.17 H new ATOM 0 HE2 MET A 39 -6.872 -6.737 -2.588 1.00 2.17 H new ATOM 0 HE3 MET A 39 -7.605 -5.133 -2.347 1.00 2.17 H new ATOM 245 N LEU A 40 -0.024 -5.537 -1.061 1.00 0.43 N ATOM 246 CA LEU A 40 1.365 -5.161 -1.160 1.00 0.39 C ATOM 247 C LEU A 40 2.238 -6.335 -0.770 1.00 0.32 C ATOM 248 O LEU A 40 3.099 -6.778 -1.529 1.00 0.33 O ATOM 249 CB LEU A 40 1.630 -4.009 -0.231 1.00 0.51 C ATOM 250 CG LEU A 40 0.713 -2.833 -0.453 1.00 0.73 C ATOM 251 CD1 LEU A 40 0.821 -1.909 0.718 1.00 1.45 C ATOM 252 CD2 LEU A 40 1.072 -2.130 -1.748 1.00 0.91 C ATOM 0 H LEU A 40 -0.574 -4.940 -0.443 1.00 0.43 H new ATOM 0 HA LEU A 40 1.593 -4.868 -2.185 1.00 0.39 H new ATOM 0 HB2 LEU A 40 1.526 -4.352 0.798 1.00 0.51 H new ATOM 0 HB3 LEU A 40 2.663 -3.683 -0.355 1.00 0.51 H new ATOM 0 HG LEU A 40 -0.319 -3.172 -0.539 1.00 0.73 H new ATOM 0 HD11 LEU A 40 0.162 -1.054 0.569 1.00 1.45 H new ATOM 0 HD12 LEU A 40 0.530 -2.437 1.626 1.00 1.45 H new ATOM 0 HD13 LEU A 40 1.850 -1.562 0.814 1.00 1.45 H new ATOM 0 HD21 LEU A 40 0.404 -1.282 -1.899 1.00 0.91 H new ATOM 0 HD22 LEU A 40 2.102 -1.776 -1.696 1.00 0.91 H new ATOM 0 HD23 LEU A 40 0.969 -2.826 -2.581 1.00 0.91 H new ATOM 260 N LEU A 41 1.995 -6.841 0.429 1.00 0.34 N ATOM 261 CA LEU A 41 2.742 -7.967 0.952 1.00 0.37 C ATOM 262 C LEU A 41 2.621 -9.144 0.007 1.00 0.36 C ATOM 263 O LEU A 41 3.559 -9.919 -0.160 1.00 0.45 O ATOM 264 CB LEU A 41 2.243 -8.333 2.344 1.00 0.46 C ATOM 265 CG LEU A 41 3.142 -7.857 3.479 1.00 0.61 C ATOM 266 CD1 LEU A 41 4.364 -8.749 3.582 1.00 0.99 C ATOM 267 CD2 LEU A 41 3.565 -6.417 3.238 1.00 0.91 C ATOM 0 H LEU A 41 1.279 -6.483 1.061 1.00 0.34 H new ATOM 0 HA LEU A 41 3.794 -7.693 1.033 1.00 0.37 H new ATOM 0 HB2 LEU A 41 1.248 -7.910 2.483 1.00 0.46 H new ATOM 0 HB3 LEU A 41 2.141 -9.416 2.407 1.00 0.46 H new ATOM 0 HG LEU A 41 2.588 -7.909 4.416 1.00 0.61 H new ATOM 0 HD11 LEU A 41 5.001 -8.401 4.396 1.00 0.99 H new ATOM 0 HD12 LEU A 41 4.051 -9.774 3.779 1.00 0.99 H new ATOM 0 HD13 LEU A 41 4.920 -8.713 2.645 1.00 0.99 H new ATOM 0 HD21 LEU A 41 4.207 -6.085 4.054 1.00 0.91 H new ATOM 0 HD22 LEU A 41 4.111 -6.351 2.297 1.00 0.91 H new ATOM 0 HD23 LEU A 41 2.681 -5.781 3.190 1.00 0.91 H new ATOM 275 N LYS A 42 1.464 -9.280 -0.600 1.00 0.40 N ATOM 276 CA LYS A 42 1.242 -10.343 -1.561 1.00 0.48 C ATOM 277 C LYS A 42 1.880 -9.953 -2.883 1.00 0.46 C ATOM 278 O LYS A 42 2.167 -10.795 -3.733 1.00 0.55 O ATOM 279 CB LYS A 42 -0.251 -10.610 -1.736 1.00 0.59 C ATOM 280 CG LYS A 42 -0.868 -11.330 -0.553 1.00 0.75 C ATOM 281 CD LYS A 42 -0.435 -10.707 0.765 1.00 0.98 C ATOM 282 CE LYS A 42 -0.979 -11.474 1.956 1.00 1.27 C ATOM 283 NZ LYS A 42 0.113 -11.954 2.838 1.00 1.83 N ATOM 0 H LYS A 42 0.661 -8.670 -0.447 1.00 0.40 H new ATOM 0 HA LYS A 42 1.699 -11.263 -1.197 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -0.768 -9.663 -1.887 1.00 0.59 H new ATOM 0 HB3 LYS A 42 -0.405 -11.205 -2.636 1.00 0.59 H new ATOM 0 HG2 LYS A 42 -1.955 -11.298 -0.632 1.00 0.75 H new ATOM 0 HG3 LYS A 42 -0.578 -12.380 -0.573 1.00 0.75 H new ATOM 0 HD2 LYS A 42 0.654 -10.682 0.815 1.00 0.98 H new ATOM 0 HD3 LYS A 42 -0.780 -9.674 0.810 1.00 0.98 H new ATOM 0 HE2 LYS A 42 -1.653 -10.834 2.525 1.00 1.27 H new ATOM 0 HE3 LYS A 42 -1.566 -12.323 1.606 1.00 1.27 H new ATOM 0 HZ1 LYS A 42 -0.258 -12.676 3.488 1.00 1.83 H new ATOM 0 HZ2 LYS A 42 0.871 -12.367 2.258 1.00 1.83 H new ATOM 0 HZ3 LYS A 42 0.492 -11.156 3.387 1.00 1.83 H new ATOM 297 N TYR A 43 2.100 -8.658 -3.035 1.00 0.40 N ATOM 298 CA TYR A 43 2.709 -8.114 -4.235 1.00 0.42 C ATOM 299 C TYR A 43 4.227 -8.207 -4.155 1.00 0.42 C ATOM 300 O TYR A 43 4.906 -8.324 -5.174 1.00 0.55 O ATOM 301 CB TYR A 43 2.278 -6.653 -4.425 1.00 0.45 C ATOM 302 CG TYR A 43 1.400 -6.427 -5.633 1.00 0.54 C ATOM 303 CD1 TYR A 43 0.058 -6.780 -5.614 1.00 0.71 C ATOM 304 CD2 TYR A 43 1.909 -5.852 -6.792 1.00 0.77 C ATOM 305 CE1 TYR A 43 -0.753 -6.569 -6.715 1.00 0.86 C ATOM 306 CE2 TYR A 43 1.104 -5.636 -7.896 1.00 0.96 C ATOM 307 CZ TYR A 43 -0.224 -5.996 -7.853 1.00 0.93 C ATOM 308 OH TYR A 43 -1.034 -5.782 -8.950 1.00 1.17 O ATOM 0 H TYR A 43 1.862 -7.957 -2.333 1.00 0.40 H new ATOM 0 HA TYR A 43 2.373 -8.699 -5.091 1.00 0.42 H new ATOM 0 HB2 TYR A 43 1.745 -6.323 -3.533 1.00 0.45 H new ATOM 0 HB3 TYR A 43 3.168 -6.030 -4.513 1.00 0.45 H new ATOM 0 HD1 TYR A 43 -0.361 -7.227 -4.724 1.00 0.71 H new ATOM 0 HD2 TYR A 43 2.951 -5.569 -6.831 1.00 0.77 H new ATOM 0 HE1 TYR A 43 -1.795 -6.851 -6.684 1.00 0.86 H new ATOM 0 HE2 TYR A 43 1.516 -5.187 -8.788 1.00 0.96 H new ATOM 0 HH TYR A 43 -0.510 -5.370 -9.668 1.00 1.17 H new ATOM 318 N MET A 44 4.752 -8.156 -2.939 1.00 0.34 N ATOM 319 CA MET A 44 6.193 -8.221 -2.734 1.00 0.40 C ATOM 320 C MET A 44 6.598 -9.458 -1.946 1.00 0.39 C ATOM 321 O MET A 44 7.593 -10.113 -2.263 1.00 0.52 O ATOM 322 CB MET A 44 6.645 -6.981 -1.977 1.00 0.42 C ATOM 323 CG MET A 44 6.112 -6.935 -0.554 1.00 0.44 C ATOM 324 SD MET A 44 6.159 -5.282 0.151 1.00 0.96 S ATOM 325 CE MET A 44 5.220 -4.369 -1.073 1.00 1.37 C ATOM 0 H MET A 44 4.205 -8.070 -2.082 1.00 0.34 H new ATOM 0 HA MET A 44 6.670 -8.273 -3.713 1.00 0.40 H new ATOM 0 HB2 MET A 44 7.734 -6.952 -1.954 1.00 0.42 H new ATOM 0 HB3 MET A 44 6.314 -6.092 -2.514 1.00 0.42 H new ATOM 0 HG2 MET A 44 5.085 -7.301 -0.543 1.00 0.44 H new ATOM 0 HG3 MET A 44 6.698 -7.609 0.071 1.00 0.44 H new ATOM 0 HE1 MET A 44 4.781 -3.485 -0.610 1.00 1.37 H new ATOM 0 HE2 MET A 44 5.880 -4.063 -1.885 1.00 1.37 H new ATOM 0 HE3 MET A 44 4.427 -5.002 -1.470 1.00 1.37 H new ATOM 335 N GLY A 45 5.819 -9.774 -0.924 1.00 0.32 N ATOM 336 CA GLY A 45 6.104 -10.930 -0.102 1.00 0.40 C ATOM 337 C GLY A 45 6.907 -10.577 1.133 1.00 0.37 C ATOM 338 O GLY A 45 7.663 -11.400 1.646 1.00 0.51 O ATOM 0 H GLY A 45 4.990 -9.247 -0.648 1.00 0.32 H new ATOM 0 HA2 GLY A 45 5.167 -11.398 0.199 1.00 0.40 H new ATOM 0 HA3 GLY A 45 6.653 -11.665 -0.691 1.00 0.40 H new ATOM 342 N GLY A 46 6.740 -9.357 1.621 1.00 0.32 N ATOM 343 CA GLY A 46 7.472 -8.931 2.793 1.00 0.40 C ATOM 344 C GLY A 46 7.376 -7.440 3.004 1.00 0.32 C ATOM 345 O GLY A 46 7.844 -6.658 2.177 1.00 0.30 O ATOM 0 H GLY A 46 6.112 -8.657 1.227 1.00 0.32 H new ATOM 0 HA2 GLY A 46 7.084 -9.448 3.671 1.00 0.40 H new ATOM 0 HA3 GLY A 46 8.519 -9.217 2.691 1.00 0.40 H new ATOM 349 N LEU A 47 6.771 -7.042 4.108 1.00 0.33 N ATOM 350 CA LEU A 47 6.605 -5.634 4.410 1.00 0.32 C ATOM 351 C LEU A 47 7.870 -4.875 4.071 1.00 0.29 C ATOM 352 O LEU A 47 7.826 -3.790 3.501 1.00 0.30 O ATOM 353 CB LEU A 47 6.276 -5.432 5.879 1.00 0.43 C ATOM 354 CG LEU A 47 6.015 -3.981 6.286 1.00 0.67 C ATOM 355 CD1 LEU A 47 4.997 -3.341 5.356 1.00 1.30 C ATOM 356 CD2 LEU A 47 5.535 -3.914 7.723 1.00 1.21 C ATOM 0 H LEU A 47 6.387 -7.675 4.810 1.00 0.33 H new ATOM 0 HA LEU A 47 5.779 -5.255 3.808 1.00 0.32 H new ATOM 0 HB2 LEU A 47 5.396 -6.027 6.125 1.00 0.43 H new ATOM 0 HB3 LEU A 47 7.100 -5.820 6.478 1.00 0.43 H new ATOM 0 HG LEU A 47 6.950 -3.427 6.206 1.00 0.67 H new ATOM 0 HD11 LEU A 47 4.824 -2.309 5.661 1.00 1.30 H new ATOM 0 HD12 LEU A 47 5.376 -3.359 4.334 1.00 1.30 H new ATOM 0 HD13 LEU A 47 4.060 -3.896 5.405 1.00 1.30 H new ATOM 0 HD21 LEU A 47 5.354 -2.875 7.998 1.00 1.21 H new ATOM 0 HD22 LEU A 47 4.611 -4.483 7.825 1.00 1.21 H new ATOM 0 HD23 LEU A 47 6.295 -4.336 8.381 1.00 1.21 H new ATOM 364 N GLN A 48 8.993 -5.438 4.461 1.00 0.36 N ATOM 365 CA GLN A 48 10.275 -4.824 4.174 1.00 0.41 C ATOM 366 C GLN A 48 10.290 -4.362 2.725 1.00 0.36 C ATOM 367 O GLN A 48 10.626 -3.216 2.419 1.00 0.38 O ATOM 368 CB GLN A 48 11.407 -5.813 4.422 1.00 0.57 C ATOM 369 CG GLN A 48 12.766 -5.146 4.555 1.00 0.76 C ATOM 370 CD GLN A 48 12.774 -4.046 5.602 1.00 1.41 C ATOM 371 OE1 GLN A 48 12.019 -4.088 6.575 1.00 2.15 O ATOM 372 NE2 GLN A 48 13.632 -3.056 5.416 1.00 2.02 N ATOM 0 H GLN A 48 9.047 -6.317 4.976 1.00 0.36 H new ATOM 0 HA GLN A 48 10.421 -3.968 4.833 1.00 0.41 H new ATOM 0 HB2 GLN A 48 11.196 -6.377 5.331 1.00 0.57 H new ATOM 0 HB3 GLN A 48 11.440 -6.530 3.602 1.00 0.57 H new ATOM 0 HG2 GLN A 48 13.512 -5.897 4.816 1.00 0.76 H new ATOM 0 HG3 GLN A 48 13.058 -4.728 3.592 1.00 0.76 H new ATOM 0 HE21 GLN A 48 14.241 -3.056 4.598 1.00 2.02 H new ATOM 0 HE22 GLN A 48 13.684 -2.293 6.091 1.00 2.02 H new ATOM 380 N GLY A 49 9.901 -5.265 1.834 1.00 0.44 N ATOM 381 CA GLY A 49 9.857 -4.942 0.425 1.00 0.51 C ATOM 382 C GLY A 49 8.969 -3.750 0.179 1.00 0.45 C ATOM 383 O GLY A 49 9.156 -2.998 -0.782 1.00 0.55 O ATOM 0 H GLY A 49 9.615 -6.217 2.065 1.00 0.44 H new ATOM 0 HA2 GLY A 49 10.864 -4.733 0.063 1.00 0.51 H new ATOM 0 HA3 GLY A 49 9.488 -5.799 -0.138 1.00 0.51 H new ATOM 387 N LEU A 50 8.000 -3.579 1.058 1.00 0.37 N ATOM 388 CA LEU A 50 7.079 -2.466 0.975 1.00 0.43 C ATOM 389 C LEU A 50 7.765 -1.228 1.511 1.00 0.40 C ATOM 390 O LEU A 50 7.666 -0.148 0.939 1.00 0.56 O ATOM 391 CB LEU A 50 5.803 -2.771 1.758 1.00 0.46 C ATOM 392 CG LEU A 50 4.943 -1.561 2.080 1.00 0.53 C ATOM 393 CD1 LEU A 50 4.709 -0.722 0.836 1.00 0.70 C ATOM 394 CD2 LEU A 50 3.615 -1.992 2.687 1.00 0.59 C ATOM 0 H LEU A 50 7.831 -4.205 1.845 1.00 0.37 H new ATOM 0 HA LEU A 50 6.793 -2.297 -0.063 1.00 0.43 H new ATOM 0 HB2 LEU A 50 5.205 -3.481 1.187 1.00 0.46 H new ATOM 0 HB3 LEU A 50 6.076 -3.263 2.692 1.00 0.46 H new ATOM 0 HG LEU A 50 5.475 -0.952 2.811 1.00 0.53 H new ATOM 0 HD11 LEU A 50 4.091 0.139 1.089 1.00 0.70 H new ATOM 0 HD12 LEU A 50 5.666 -0.379 0.443 1.00 0.70 H new ATOM 0 HD13 LEU A 50 4.202 -1.323 0.082 1.00 0.70 H new ATOM 0 HD21 LEU A 50 3.014 -1.111 2.910 1.00 0.59 H new ATOM 0 HD22 LEU A 50 3.080 -2.626 1.980 1.00 0.59 H new ATOM 0 HD23 LEU A 50 3.799 -2.548 3.606 1.00 0.59 H new ATOM 402 N ARG A 51 8.480 -1.407 2.605 1.00 0.31 N ATOM 403 CA ARG A 51 9.223 -0.320 3.211 1.00 0.40 C ATOM 404 C ARG A 51 10.196 0.210 2.182 1.00 0.42 C ATOM 405 O ARG A 51 10.526 1.396 2.145 1.00 0.61 O ATOM 406 CB ARG A 51 9.965 -0.817 4.446 1.00 0.46 C ATOM 407 CG ARG A 51 9.071 -1.591 5.388 1.00 0.70 C ATOM 408 CD ARG A 51 9.405 -1.287 6.834 1.00 0.88 C ATOM 409 NE ARG A 51 10.686 -1.870 7.226 1.00 1.60 N ATOM 410 CZ ARG A 51 11.806 -1.165 7.399 1.00 2.23 C ATOM 411 NH1 ARG A 51 11.809 0.147 7.187 1.00 2.53 N ATOM 412 NH2 ARG A 51 12.924 -1.774 7.767 1.00 3.08 N ATOM 0 H ARG A 51 8.562 -2.299 3.094 1.00 0.31 H new ATOM 0 HA ARG A 51 8.547 0.474 3.527 1.00 0.40 H new ATOM 0 HB2 ARG A 51 10.796 -1.451 4.136 1.00 0.46 H new ATOM 0 HB3 ARG A 51 10.394 0.034 4.975 1.00 0.46 H new ATOM 0 HG2 ARG A 51 8.028 -1.340 5.192 1.00 0.70 H new ATOM 0 HG3 ARG A 51 9.182 -2.659 5.203 1.00 0.70 H new ATOM 0 HD2 ARG A 51 9.436 -0.207 6.981 1.00 0.88 H new ATOM 0 HD3 ARG A 51 8.616 -1.674 7.479 1.00 0.88 H new ATOM 0 HE ARG A 51 10.727 -2.878 7.377 1.00 1.60 H new ATOM 0 HH11 ARG A 51 10.954 0.618 6.891 1.00 2.53 H new ATOM 0 HH12 ARG A 51 12.666 0.683 7.320 1.00 2.53 H new ATOM 0 HH21 ARG A 51 12.929 -2.783 7.918 1.00 3.08 H new ATOM 0 HH22 ARG A 51 13.779 -1.234 7.899 1.00 3.08 H new ATOM 424 N ASN A 52 10.653 -0.703 1.347 1.00 0.40 N ATOM 425 CA ASN A 52 11.569 -0.366 0.273 1.00 0.51 C ATOM 426 C ASN A 52 10.778 0.281 -0.844 1.00 0.47 C ATOM 427 O ASN A 52 11.301 1.059 -1.641 1.00 0.65 O ATOM 428 CB ASN A 52 12.275 -1.621 -0.245 1.00 0.68 C ATOM 429 CG ASN A 52 13.383 -2.090 0.678 1.00 1.02 C ATOM 430 OD1 ASN A 52 13.254 -1.782 1.957 1.00 1.76 O flip ATOM 431 ND2 ASN A 52 14.343 -2.731 0.244 1.00 1.39 N flip ATOM 0 H ASN A 52 10.403 -1.691 1.392 1.00 0.40 H new ATOM 0 HA ASN A 52 12.330 0.321 0.643 1.00 0.51 H new ATOM 0 HB2 ASN A 52 11.544 -2.421 -0.365 1.00 0.68 H new ATOM 0 HB3 ASN A 52 12.691 -1.418 -1.232 1.00 0.68 H new ATOM 0 HD21 ASN A 52 14.404 -2.947 -0.751 1.00 1.39 H new ATOM 0 HD22 ASN A 52 15.076 -3.045 0.880 1.00 1.39 H new ATOM 437 N ALA A 53 9.496 -0.032 -0.873 1.00 0.39 N ATOM 438 CA ALA A 53 8.598 0.494 -1.877 1.00 0.35 C ATOM 439 C ALA A 53 8.051 1.834 -1.441 1.00 0.32 C ATOM 440 O ALA A 53 7.467 1.965 -0.371 1.00 0.50 O ATOM 441 CB ALA A 53 7.457 -0.485 -2.126 1.00 0.38 C ATOM 0 H ALA A 53 9.051 -0.657 -0.201 1.00 0.39 H new ATOM 0 HA ALA A 53 9.153 0.630 -2.805 1.00 0.35 H new ATOM 0 HB1 ALA A 53 6.787 -0.078 -2.884 1.00 0.38 H new ATOM 0 HB2 ALA A 53 7.862 -1.436 -2.473 1.00 0.38 H new ATOM 0 HB3 ALA A 53 6.904 -0.642 -1.200 1.00 0.38 H new ATOM 447 N SER A 54 8.240 2.835 -2.267 1.00 0.27 N ATOM 448 CA SER A 54 7.747 4.140 -1.966 1.00 0.28 C ATOM 449 C SER A 54 6.531 4.357 -2.826 1.00 0.22 C ATOM 450 O SER A 54 6.168 3.475 -3.599 1.00 0.26 O ATOM 451 CB SER A 54 8.828 5.178 -2.236 1.00 0.38 C ATOM 452 OG SER A 54 10.089 4.714 -1.778 1.00 0.86 O ATOM 0 H SER A 54 8.736 2.761 -3.155 1.00 0.27 H new ATOM 0 HA SER A 54 7.476 4.237 -0.915 1.00 0.28 H new ATOM 0 HB2 SER A 54 8.878 5.390 -3.304 1.00 0.38 H new ATOM 0 HB3 SER A 54 8.575 6.113 -1.737 1.00 0.38 H new ATOM 0 HG SER A 54 10.773 5.392 -1.960 1.00 0.86 H new ATOM 458 N VAL A 55 5.914 5.498 -2.733 1.00 0.23 N ATOM 459 CA VAL A 55 4.731 5.744 -3.516 1.00 0.23 C ATOM 460 C VAL A 55 4.957 5.258 -4.934 1.00 0.24 C ATOM 461 O VAL A 55 4.080 4.675 -5.566 1.00 0.28 O ATOM 462 CB VAL A 55 4.407 7.233 -3.544 1.00 0.30 C ATOM 463 CG1 VAL A 55 3.640 7.575 -4.804 1.00 0.37 C ATOM 464 CG2 VAL A 55 3.635 7.636 -2.301 1.00 0.35 C ATOM 0 H VAL A 55 6.203 6.268 -2.130 1.00 0.23 H new ATOM 0 HA VAL A 55 3.896 5.209 -3.064 1.00 0.23 H new ATOM 0 HB VAL A 55 5.340 7.797 -3.550 1.00 0.30 H new ATOM 0 HG11 VAL A 55 3.414 8.641 -4.814 1.00 0.37 H new ATOM 0 HG12 VAL A 55 4.243 7.324 -5.677 1.00 0.37 H new ATOM 0 HG13 VAL A 55 2.710 7.006 -4.830 1.00 0.37 H new ATOM 0 HG21 VAL A 55 3.413 8.703 -2.340 1.00 0.35 H new ATOM 0 HG22 VAL A 55 2.703 7.073 -2.253 1.00 0.35 H new ATOM 0 HG23 VAL A 55 4.234 7.422 -1.416 1.00 0.35 H new ATOM 470 N GLU A 56 6.171 5.471 -5.390 1.00 0.28 N ATOM 471 CA GLU A 56 6.578 5.105 -6.729 1.00 0.36 C ATOM 472 C GLU A 56 6.390 3.616 -6.965 1.00 0.35 C ATOM 473 O GLU A 56 5.939 3.189 -8.026 1.00 0.46 O ATOM 474 CB GLU A 56 8.039 5.493 -6.910 1.00 0.43 C ATOM 475 CG GLU A 56 8.946 4.940 -5.827 1.00 0.55 C ATOM 476 CD GLU A 56 10.119 5.849 -5.539 1.00 1.07 C ATOM 477 OE1 GLU A 56 11.163 5.721 -6.219 1.00 1.37 O ATOM 478 OE2 GLU A 56 10.005 6.700 -4.632 1.00 1.90 O ATOM 0 H GLU A 56 6.910 5.907 -4.838 1.00 0.28 H new ATOM 0 HA GLU A 56 5.959 5.632 -7.456 1.00 0.36 H new ATOM 0 HB2 GLU A 56 8.385 5.137 -7.880 1.00 0.43 H new ATOM 0 HB3 GLU A 56 8.120 6.580 -6.922 1.00 0.43 H new ATOM 0 HG2 GLU A 56 8.370 4.794 -4.913 1.00 0.55 H new ATOM 0 HG3 GLU A 56 9.315 3.960 -6.131 1.00 0.55 H new ATOM 485 N GLU A 57 6.747 2.828 -5.974 1.00 0.29 N ATOM 486 CA GLU A 57 6.624 1.393 -6.072 1.00 0.34 C ATOM 487 C GLU A 57 5.246 0.948 -5.623 1.00 0.30 C ATOM 488 O GLU A 57 4.564 0.180 -6.298 1.00 0.36 O ATOM 489 CB GLU A 57 7.684 0.728 -5.206 1.00 0.39 C ATOM 490 CG GLU A 57 8.652 -0.141 -5.982 1.00 0.71 C ATOM 491 CD GLU A 57 8.797 0.292 -7.425 1.00 1.09 C ATOM 492 OE1 GLU A 57 7.934 -0.080 -8.252 1.00 1.54 O ATOM 493 OE2 GLU A 57 9.776 1.006 -7.747 1.00 1.59 O ATOM 0 H GLU A 57 7.126 3.161 -5.088 1.00 0.29 H new ATOM 0 HA GLU A 57 6.766 1.099 -7.112 1.00 0.34 H new ATOM 0 HB2 GLU A 57 8.245 1.499 -4.679 1.00 0.39 H new ATOM 0 HB3 GLU A 57 7.191 0.119 -4.448 1.00 0.39 H new ATOM 0 HG2 GLU A 57 9.628 -0.112 -5.498 1.00 0.71 H new ATOM 0 HG3 GLU A 57 8.311 -1.176 -5.950 1.00 0.71 H new ATOM 500 N ILE A 58 4.852 1.428 -4.465 1.00 0.24 N ATOM 501 CA ILE A 58 3.574 1.095 -3.907 1.00 0.24 C ATOM 502 C ILE A 58 2.484 1.359 -4.926 1.00 0.27 C ATOM 503 O ILE A 58 1.502 0.636 -5.001 1.00 0.36 O ATOM 504 CB ILE A 58 3.313 1.904 -2.632 1.00 0.21 C ATOM 505 CG1 ILE A 58 4.270 1.469 -1.522 1.00 0.27 C ATOM 506 CG2 ILE A 58 1.880 1.727 -2.198 1.00 0.26 C ATOM 507 CD1 ILE A 58 4.415 2.482 -0.410 1.00 0.30 C ATOM 0 H ILE A 58 5.411 2.058 -3.890 1.00 0.24 H new ATOM 0 HA ILE A 58 3.572 0.036 -3.647 1.00 0.24 H new ATOM 0 HB ILE A 58 3.488 2.960 -2.839 1.00 0.21 H new ATOM 0 HG12 ILE A 58 3.918 0.528 -1.100 1.00 0.27 H new ATOM 0 HG13 ILE A 58 5.251 1.277 -1.956 1.00 0.27 H new ATOM 0 HG21 ILE A 58 1.701 2.304 -1.291 1.00 0.26 H new ATOM 0 HG22 ILE A 58 1.215 2.076 -2.988 1.00 0.26 H new ATOM 0 HG23 ILE A 58 1.687 0.672 -2.001 1.00 0.26 H new ATOM 0 HD11 ILE A 58 5.109 2.103 0.340 1.00 0.30 H new ATOM 0 HD12 ILE A 58 4.797 3.418 -0.818 1.00 0.30 H new ATOM 0 HD13 ILE A 58 3.443 2.657 0.051 1.00 0.30 H new ATOM 514 N ALA A 59 2.678 2.382 -5.728 1.00 0.24 N ATOM 515 CA ALA A 59 1.711 2.730 -6.751 1.00 0.28 C ATOM 516 C ALA A 59 1.743 1.726 -7.894 1.00 0.34 C ATOM 517 O ALA A 59 1.424 2.062 -9.033 1.00 0.43 O ATOM 518 CB ALA A 59 1.977 4.129 -7.274 1.00 0.29 C ATOM 0 H ALA A 59 3.497 2.989 -5.693 1.00 0.24 H new ATOM 0 HA ALA A 59 0.718 2.704 -6.302 1.00 0.28 H new ATOM 0 HB1 ALA A 59 1.243 4.376 -8.041 1.00 0.29 H new ATOM 0 HB2 ALA A 59 1.901 4.844 -6.455 1.00 0.29 H new ATOM 0 HB3 ALA A 59 2.978 4.173 -7.702 1.00 0.29 H new ATOM 524 N LYS A 60 2.108 0.490 -7.595 1.00 0.34 N ATOM 525 CA LYS A 60 2.179 -0.534 -8.622 1.00 0.42 C ATOM 526 C LYS A 60 1.158 -1.610 -8.330 1.00 0.42 C ATOM 527 O LYS A 60 1.154 -2.677 -8.949 1.00 0.51 O ATOM 528 CB LYS A 60 3.581 -1.143 -8.699 1.00 0.49 C ATOM 529 CG LYS A 60 4.531 -0.378 -9.610 1.00 0.61 C ATOM 530 CD LYS A 60 4.487 1.117 -9.346 1.00 0.60 C ATOM 531 CE LYS A 60 5.498 1.867 -10.199 1.00 0.75 C ATOM 532 NZ LYS A 60 6.895 1.454 -9.899 1.00 1.10 N ATOM 0 H LYS A 60 2.358 0.174 -6.658 1.00 0.34 H new ATOM 0 HA LYS A 60 1.961 -0.075 -9.586 1.00 0.42 H new ATOM 0 HB2 LYS A 60 4.006 -1.182 -7.696 1.00 0.49 H new ATOM 0 HB3 LYS A 60 3.502 -2.171 -9.052 1.00 0.49 H new ATOM 0 HG2 LYS A 60 5.548 -0.743 -9.463 1.00 0.61 H new ATOM 0 HG3 LYS A 60 4.270 -0.571 -10.651 1.00 0.61 H new ATOM 0 HD2 LYS A 60 3.485 1.494 -9.552 1.00 0.60 H new ATOM 0 HD3 LYS A 60 4.688 1.307 -8.292 1.00 0.60 H new ATOM 0 HE2 LYS A 60 5.286 1.689 -11.253 1.00 0.75 H new ATOM 0 HE3 LYS A 60 5.392 2.938 -10.029 1.00 0.75 H new ATOM 0 HZ1 LYS A 60 7.438 2.278 -9.572 1.00 1.10 H new ATOM 0 HZ2 LYS A 60 6.890 0.726 -9.156 1.00 1.10 H new ATOM 0 HZ3 LYS A 60 7.335 1.068 -10.759 1.00 1.10 H new ATOM 546 N VAL A 61 0.281 -1.311 -7.388 1.00 0.39 N ATOM 547 CA VAL A 61 -0.752 -2.236 -6.997 1.00 0.43 C ATOM 548 C VAL A 61 -2.091 -1.709 -7.487 1.00 0.50 C ATOM 549 O VAL A 61 -2.131 -0.659 -8.124 1.00 0.58 O ATOM 550 CB VAL A 61 -0.782 -2.427 -5.461 1.00 0.43 C ATOM 551 CG1 VAL A 61 -0.302 -3.816 -5.077 1.00 0.54 C ATOM 552 CG2 VAL A 61 0.062 -1.379 -4.764 1.00 0.35 C ATOM 0 H VAL A 61 0.269 -0.426 -6.880 1.00 0.39 H new ATOM 0 HA VAL A 61 -0.546 -3.208 -7.445 1.00 0.43 H new ATOM 0 HB VAL A 61 -1.816 -2.312 -5.137 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -0.333 -3.925 -3.993 1.00 0.54 H new ATOM 0 HG12 VAL A 61 -0.949 -4.564 -5.535 1.00 0.54 H new ATOM 0 HG13 VAL A 61 0.721 -3.957 -5.427 1.00 0.54 H new ATOM 0 HG21 VAL A 61 0.022 -1.538 -3.686 1.00 0.35 H new ATOM 0 HG22 VAL A 61 1.094 -1.458 -5.105 1.00 0.35 H new ATOM 0 HG23 VAL A 61 -0.323 -0.387 -4.999 1.00 0.35 H new ATOM 558 N PRO A 62 -3.174 -2.452 -7.247 1.00 0.56 N ATOM 559 CA PRO A 62 -4.540 -2.073 -7.620 1.00 0.66 C ATOM 560 C PRO A 62 -4.809 -0.582 -7.368 1.00 0.71 C ATOM 561 O PRO A 62 -3.904 0.236 -7.457 1.00 1.49 O ATOM 562 CB PRO A 62 -5.403 -2.964 -6.698 1.00 0.75 C ATOM 563 CG PRO A 62 -4.435 -3.737 -5.855 1.00 0.72 C ATOM 564 CD PRO A 62 -3.154 -3.752 -6.614 1.00 0.62 C ATOM 0 HA PRO A 62 -4.747 -2.215 -8.681 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -6.065 -2.360 -6.078 1.00 0.75 H new ATOM 0 HB3 PRO A 62 -6.035 -3.634 -7.281 1.00 0.75 H new ATOM 0 HG2 PRO A 62 -4.306 -3.268 -4.880 1.00 0.72 H new ATOM 0 HG3 PRO A 62 -4.795 -4.750 -5.676 1.00 0.72 H new ATOM 0 HD2 PRO A 62 -2.291 -3.875 -5.959 1.00 0.62 H new ATOM 0 HD3 PRO A 62 -3.119 -4.562 -7.343 1.00 0.62 H new ATOM 572 N GLY A 63 -6.047 -0.216 -7.073 1.00 0.68 N ATOM 573 CA GLY A 63 -6.346 1.184 -6.809 1.00 0.65 C ATOM 574 C GLY A 63 -5.157 1.917 -6.207 1.00 0.48 C ATOM 575 O GLY A 63 -4.999 3.129 -6.376 1.00 0.52 O ATOM 0 H GLY A 63 -6.843 -0.850 -7.011 1.00 0.68 H new ATOM 0 HA2 GLY A 63 -6.641 1.673 -7.737 1.00 0.65 H new ATOM 0 HA3 GLY A 63 -7.195 1.251 -6.129 1.00 0.65 H new ATOM 579 N ILE A 64 -4.327 1.169 -5.498 1.00 0.39 N ATOM 580 CA ILE A 64 -3.138 1.699 -4.871 1.00 0.30 C ATOM 581 C ILE A 64 -2.229 2.378 -5.888 1.00 0.39 C ATOM 582 O ILE A 64 -1.327 1.755 -6.446 1.00 0.41 O ATOM 583 CB ILE A 64 -2.352 0.579 -4.178 1.00 0.30 C ATOM 584 CG1 ILE A 64 -3.311 -0.410 -3.512 1.00 0.36 C ATOM 585 CG2 ILE A 64 -1.383 1.161 -3.172 1.00 0.30 C ATOM 586 CD1 ILE A 64 -2.681 -1.236 -2.407 1.00 0.42 C ATOM 0 H ILE A 64 -4.465 0.170 -5.343 1.00 0.39 H new ATOM 0 HA ILE A 64 -3.462 2.436 -4.136 1.00 0.30 H new ATOM 0 HB ILE A 64 -1.775 0.037 -4.928 1.00 0.30 H new ATOM 0 HG12 ILE A 64 -4.157 0.141 -3.101 1.00 0.36 H new ATOM 0 HG13 ILE A 64 -3.708 -1.083 -4.272 1.00 0.36 H new ATOM 0 HG21 ILE A 64 -0.832 0.354 -2.688 1.00 0.30 H new ATOM 0 HG22 ILE A 64 -0.683 1.823 -3.682 1.00 0.30 H new ATOM 0 HG23 ILE A 64 -1.934 1.726 -2.420 1.00 0.30 H new ATOM 0 HD11 ILE A 64 -3.427 -1.911 -1.987 1.00 0.42 H new ATOM 0 HD12 ILE A 64 -1.853 -1.817 -2.814 1.00 0.42 H new ATOM 0 HD13 ILE A 64 -2.309 -0.574 -1.625 1.00 0.42 H new ATOM 593 N SER A 65 -2.479 3.648 -6.126 1.00 0.58 N ATOM 594 CA SER A 65 -1.682 4.419 -7.061 1.00 0.80 C ATOM 595 C SER A 65 -1.098 5.646 -6.367 1.00 0.98 C ATOM 596 O SER A 65 0.115 5.804 -6.267 1.00 1.90 O ATOM 597 CB SER A 65 -2.549 4.837 -8.244 1.00 0.75 C ATOM 598 OG SER A 65 -2.202 4.133 -9.427 1.00 1.17 O ATOM 0 H SER A 65 -3.233 4.173 -5.682 1.00 0.58 H new ATOM 0 HA SER A 65 -0.857 3.806 -7.424 1.00 0.80 H new ATOM 0 HB2 SER A 65 -3.598 4.656 -8.008 1.00 0.75 H new ATOM 0 HB3 SER A 65 -2.441 5.908 -8.414 1.00 0.75 H new ATOM 0 HG SER A 65 -2.779 4.426 -10.163 1.00 1.17 H new ATOM 604 N GLN A 66 -1.970 6.505 -5.882 1.00 0.76 N ATOM 605 CA GLN A 66 -1.546 7.705 -5.186 1.00 0.75 C ATOM 606 C GLN A 66 -2.208 7.779 -3.824 1.00 0.61 C ATOM 607 O GLN A 66 -1.540 7.863 -2.794 1.00 0.69 O ATOM 608 CB GLN A 66 -1.885 8.950 -6.003 1.00 0.79 C ATOM 609 CG GLN A 66 -0.698 9.521 -6.763 1.00 1.07 C ATOM 610 CD GLN A 66 0.371 10.074 -5.840 1.00 1.20 C ATOM 611 OE1 GLN A 66 1.298 9.366 -5.445 1.00 2.04 O ATOM 612 NE2 GLN A 66 0.241 11.340 -5.475 1.00 1.26 N ATOM 0 H GLN A 66 -2.981 6.395 -5.957 1.00 0.76 H new ATOM 0 HA GLN A 66 -0.465 7.663 -5.054 1.00 0.75 H new ATOM 0 HB2 GLN A 66 -2.676 8.705 -6.712 1.00 0.79 H new ATOM 0 HB3 GLN A 66 -2.281 9.716 -5.336 1.00 0.79 H new ATOM 0 HG2 GLN A 66 -0.264 8.743 -7.391 1.00 1.07 H new ATOM 0 HG3 GLN A 66 -1.043 10.312 -7.429 1.00 1.07 H new ATOM 0 HE21 GLN A 66 -0.541 11.894 -5.824 1.00 1.26 H new ATOM 0 HE22 GLN A 66 0.923 11.762 -4.845 1.00 1.26 H new ATOM 620 N GLY A 67 -3.521 7.716 -3.809 1.00 0.48 N ATOM 621 CA GLY A 67 -4.221 7.783 -2.545 1.00 0.48 C ATOM 622 C GLY A 67 -3.730 6.712 -1.595 1.00 0.41 C ATOM 623 O GLY A 67 -3.137 7.006 -0.557 1.00 0.55 O ATOM 0 H GLY A 67 -4.113 7.621 -4.634 1.00 0.48 H new ATOM 0 HA2 GLY A 67 -4.076 8.766 -2.097 1.00 0.48 H new ATOM 0 HA3 GLY A 67 -5.292 7.663 -2.711 1.00 0.48 H new ATOM 627 N LEU A 68 -3.934 5.465 -1.984 1.00 0.27 N ATOM 628 CA LEU A 68 -3.511 4.325 -1.194 1.00 0.24 C ATOM 629 C LEU A 68 -2.002 4.253 -1.170 1.00 0.19 C ATOM 630 O LEU A 68 -1.386 4.110 -0.122 1.00 0.19 O ATOM 631 CB LEU A 68 -4.076 3.033 -1.790 1.00 0.27 C ATOM 632 CG LEU A 68 -4.272 1.885 -0.802 1.00 0.33 C ATOM 633 CD1 LEU A 68 -3.059 1.752 0.085 1.00 0.39 C ATOM 634 CD2 LEU A 68 -5.526 2.099 0.030 1.00 0.42 C ATOM 0 H LEU A 68 -4.398 5.216 -2.857 1.00 0.27 H new ATOM 0 HA LEU A 68 -3.885 4.442 -0.177 1.00 0.24 H new ATOM 0 HB2 LEU A 68 -5.036 3.257 -2.255 1.00 0.27 H new ATOM 0 HB3 LEU A 68 -3.408 2.697 -2.583 1.00 0.27 H new ATOM 0 HG LEU A 68 -4.396 0.959 -1.364 1.00 0.33 H new ATOM 0 HD11 LEU A 68 -3.209 0.931 0.786 1.00 0.39 H new ATOM 0 HD12 LEU A 68 -2.180 1.550 -0.528 1.00 0.39 H new ATOM 0 HD13 LEU A 68 -2.910 2.679 0.639 1.00 0.39 H new ATOM 0 HD21 LEU A 68 -5.646 1.270 0.727 1.00 0.42 H new ATOM 0 HD22 LEU A 68 -5.438 3.032 0.587 1.00 0.42 H new ATOM 0 HD23 LEU A 68 -6.394 2.150 -0.627 1.00 0.42 H new ATOM 642 N ALA A 69 -1.410 4.354 -2.339 1.00 0.19 N ATOM 643 CA ALA A 69 0.029 4.300 -2.439 1.00 0.18 C ATOM 644 C ALA A 69 0.645 5.173 -1.361 1.00 0.15 C ATOM 645 O ALA A 69 1.489 4.719 -0.589 1.00 0.20 O ATOM 646 CB ALA A 69 0.503 4.723 -3.820 1.00 0.24 C ATOM 0 H ALA A 69 -1.899 4.473 -3.226 1.00 0.19 H new ATOM 0 HA ALA A 69 0.352 3.270 -2.290 1.00 0.18 H new ATOM 0 HB1 ALA A 69 1.591 4.671 -3.863 1.00 0.24 H new ATOM 0 HB2 ALA A 69 0.078 4.056 -4.570 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.180 5.745 -4.018 1.00 0.24 H new ATOM 652 N GLU A 70 0.208 6.422 -1.302 1.00 0.18 N ATOM 653 CA GLU A 70 0.711 7.338 -0.299 1.00 0.21 C ATOM 654 C GLU A 70 0.352 6.805 1.073 1.00 0.21 C ATOM 655 O GLU A 70 1.179 6.779 1.985 1.00 0.25 O ATOM 656 CB GLU A 70 0.125 8.736 -0.495 1.00 0.28 C ATOM 657 CG GLU A 70 0.567 9.398 -1.785 1.00 0.39 C ATOM 658 CD GLU A 70 0.684 10.898 -1.653 1.00 0.67 C ATOM 659 OE1 GLU A 70 -0.350 11.556 -1.410 1.00 0.81 O ATOM 660 OE2 GLU A 70 1.807 11.425 -1.806 1.00 1.10 O ATOM 0 H GLU A 70 -0.488 6.819 -1.933 1.00 0.18 H new ATOM 0 HA GLU A 70 1.794 7.416 -0.394 1.00 0.21 H new ATOM 0 HB2 GLU A 70 -0.963 8.671 -0.483 1.00 0.28 H new ATOM 0 HB3 GLU A 70 0.416 9.365 0.346 1.00 0.28 H new ATOM 0 HG2 GLU A 70 1.529 8.987 -2.090 1.00 0.39 H new ATOM 0 HG3 GLU A 70 -0.146 9.160 -2.575 1.00 0.39 H new ATOM 667 N LYS A 71 -0.884 6.354 1.199 1.00 0.23 N ATOM 668 CA LYS A 71 -1.370 5.800 2.440 1.00 0.28 C ATOM 669 C LYS A 71 -0.384 4.773 2.960 1.00 0.30 C ATOM 670 O LYS A 71 -0.099 4.705 4.158 1.00 0.41 O ATOM 671 CB LYS A 71 -2.726 5.145 2.210 1.00 0.32 C ATOM 672 CG LYS A 71 -3.852 6.118 1.911 1.00 0.52 C ATOM 673 CD LYS A 71 -3.458 7.564 2.152 1.00 0.42 C ATOM 674 CE LYS A 71 -4.382 8.503 1.402 1.00 0.56 C ATOM 675 NZ LYS A 71 -4.749 9.689 2.211 1.00 1.08 N ATOM 0 H LYS A 71 -1.572 6.363 0.446 1.00 0.23 H new ATOM 0 HA LYS A 71 -1.477 6.597 3.176 1.00 0.28 H new ATOM 0 HB2 LYS A 71 -2.640 4.442 1.381 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -2.990 4.564 3.094 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -4.163 5.999 0.873 1.00 0.52 H new ATOM 0 HG3 LYS A 71 -4.713 5.872 2.532 1.00 0.52 H new ATOM 0 HD2 LYS A 71 -3.496 7.784 3.219 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -2.429 7.724 1.830 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -3.898 8.829 0.481 1.00 0.56 H new ATOM 0 HE3 LYS A 71 -5.287 7.967 1.114 1.00 0.56 H new ATOM 0 HZ1 LYS A 71 -5.283 10.360 1.622 1.00 1.08 H new ATOM 0 HZ2 LYS A 71 -5.337 9.392 3.016 1.00 1.08 H new ATOM 0 HZ3 LYS A 71 -3.886 10.149 2.564 1.00 1.08 H new ATOM 689 N ILE A 72 0.125 3.971 2.048 1.00 0.23 N ATOM 690 CA ILE A 72 1.091 2.945 2.394 1.00 0.25 C ATOM 691 C ILE A 72 2.448 3.575 2.618 1.00 0.24 C ATOM 692 O ILE A 72 3.158 3.254 3.571 1.00 0.29 O ATOM 693 CB ILE A 72 1.200 1.905 1.274 1.00 0.25 C ATOM 694 CG1 ILE A 72 -0.182 1.387 0.933 1.00 0.29 C ATOM 695 CG2 ILE A 72 2.106 0.764 1.684 1.00 0.29 C ATOM 696 CD1 ILE A 72 -0.248 0.691 -0.403 1.00 0.34 C ATOM 0 H ILE A 72 -0.114 4.009 1.057 1.00 0.23 H new ATOM 0 HA ILE A 72 0.755 2.451 3.306 1.00 0.25 H new ATOM 0 HB ILE A 72 1.636 2.378 0.394 1.00 0.25 H new ATOM 0 HG12 ILE A 72 -0.505 0.695 1.711 1.00 0.29 H new ATOM 0 HG13 ILE A 72 -0.885 2.220 0.935 1.00 0.29 H new ATOM 0 HG21 ILE A 72 2.168 0.039 0.873 1.00 0.29 H new ATOM 0 HG22 ILE A 72 3.102 1.150 1.902 1.00 0.29 H new ATOM 0 HG23 ILE A 72 1.702 0.280 2.573 1.00 0.29 H new ATOM 0 HD11 ILE A 72 -1.266 0.345 -0.583 1.00 0.34 H new ATOM 0 HD12 ILE A 72 0.044 1.386 -1.190 1.00 0.34 H new ATOM 0 HD13 ILE A 72 0.430 -0.162 -0.403 1.00 0.34 H new ATOM 703 N PHE A 73 2.783 4.493 1.738 1.00 0.22 N ATOM 704 CA PHE A 73 4.051 5.187 1.822 1.00 0.25 C ATOM 705 C PHE A 73 4.242 5.733 3.228 1.00 0.31 C ATOM 706 O PHE A 73 5.197 5.386 3.925 1.00 0.41 O ATOM 707 CB PHE A 73 4.101 6.325 0.800 1.00 0.28 C ATOM 708 CG PHE A 73 5.239 7.275 1.019 1.00 0.34 C ATOM 709 CD1 PHE A 73 5.111 8.337 1.898 1.00 0.54 C ATOM 710 CD2 PHE A 73 6.439 7.104 0.351 1.00 0.54 C ATOM 711 CE1 PHE A 73 6.156 9.216 2.101 1.00 0.66 C ATOM 712 CE2 PHE A 73 7.487 7.979 0.549 1.00 0.66 C ATOM 713 CZ PHE A 73 7.347 9.036 1.426 1.00 0.64 C ATOM 0 H PHE A 73 2.195 4.777 0.955 1.00 0.22 H new ATOM 0 HA PHE A 73 4.856 4.487 1.599 1.00 0.25 H new ATOM 0 HB2 PHE A 73 4.180 5.901 -0.201 1.00 0.28 H new ATOM 0 HB3 PHE A 73 3.163 6.879 0.839 1.00 0.28 H new ATOM 0 HD1 PHE A 73 4.183 8.479 2.431 1.00 0.54 H new ATOM 0 HD2 PHE A 73 6.556 6.276 -0.333 1.00 0.54 H new ATOM 0 HE1 PHE A 73 6.042 10.043 2.786 1.00 0.66 H new ATOM 0 HE2 PHE A 73 8.417 7.837 0.018 1.00 0.66 H new ATOM 0 HZ PHE A 73 8.167 9.721 1.584 1.00 0.64 H new ATOM 723 N TRP A 74 3.296 6.553 3.655 1.00 0.34 N ATOM 724 CA TRP A 74 3.343 7.171 4.969 1.00 0.45 C ATOM 725 C TRP A 74 3.428 6.116 6.064 1.00 0.48 C ATOM 726 O TRP A 74 3.777 6.420 7.207 1.00 0.64 O ATOM 727 CB TRP A 74 2.102 8.044 5.182 1.00 0.59 C ATOM 728 CG TRP A 74 1.953 9.131 4.163 1.00 0.71 C ATOM 729 CD1 TRP A 74 0.927 9.283 3.278 1.00 0.90 C ATOM 730 CD2 TRP A 74 2.857 10.213 3.918 1.00 0.88 C ATOM 731 NE1 TRP A 74 1.129 10.400 2.505 1.00 1.04 N ATOM 732 CE2 TRP A 74 2.309 10.987 2.879 1.00 1.04 C ATOM 733 CE3 TRP A 74 4.071 10.606 4.482 1.00 1.09 C ATOM 734 CZ2 TRP A 74 2.938 12.124 2.384 1.00 1.31 C ATOM 735 CZ3 TRP A 74 4.695 11.735 3.990 1.00 1.42 C ATOM 736 CH2 TRP A 74 4.127 12.486 2.957 1.00 1.50 C ATOM 0 H TRP A 74 2.477 6.808 3.103 1.00 0.34 H new ATOM 0 HA TRP A 74 4.236 7.794 5.022 1.00 0.45 H new ATOM 0 HB2 TRP A 74 1.215 7.412 5.159 1.00 0.59 H new ATOM 0 HB3 TRP A 74 2.149 8.492 6.175 1.00 0.59 H new ATOM 0 HD1 TRP A 74 0.078 8.621 3.197 1.00 0.90 H new ATOM 0 HE1 TRP A 74 0.504 10.737 1.773 1.00 1.04 H new ATOM 0 HE3 TRP A 74 4.514 10.039 5.287 1.00 1.09 H new ATOM 0 HZ2 TRP A 74 2.505 12.699 1.579 1.00 1.31 H new ATOM 0 HZ3 TRP A 74 5.640 12.044 4.411 1.00 1.42 H new ATOM 0 HH2 TRP A 74 4.637 13.370 2.604 1.00 1.50 H new ATOM 747 N SER A 75 3.115 4.879 5.715 1.00 0.52 N ATOM 748 CA SER A 75 3.150 3.795 6.679 1.00 0.67 C ATOM 749 C SER A 75 4.590 3.392 6.991 1.00 0.76 C ATOM 750 O SER A 75 5.049 3.528 8.127 1.00 1.22 O ATOM 751 CB SER A 75 2.354 2.598 6.155 1.00 0.84 C ATOM 752 OG SER A 75 1.054 2.993 5.741 1.00 1.00 O ATOM 0 H SER A 75 2.835 4.602 4.774 1.00 0.52 H new ATOM 0 HA SER A 75 2.690 4.140 7.605 1.00 0.67 H new ATOM 0 HB2 SER A 75 2.883 2.143 5.318 1.00 0.84 H new ATOM 0 HB3 SER A 75 2.277 1.839 6.934 1.00 0.84 H new ATOM 0 HG SER A 75 1.127 3.657 5.024 1.00 1.00 H new ATOM 758 N LEU A 76 5.309 2.907 5.990 1.00 0.64 N ATOM 759 CA LEU A 76 6.697 2.497 6.187 1.00 0.84 C ATOM 760 C LEU A 76 7.649 3.563 5.676 1.00 1.07 C ATOM 761 O LEU A 76 8.708 3.802 6.255 1.00 1.45 O ATOM 762 CB LEU A 76 7.015 1.163 5.498 1.00 0.92 C ATOM 763 CG LEU A 76 6.140 0.781 4.304 1.00 0.74 C ATOM 764 CD1 LEU A 76 4.701 0.550 4.734 1.00 1.19 C ATOM 765 CD2 LEU A 76 6.221 1.837 3.220 1.00 1.31 C ATOM 0 H LEU A 76 4.961 2.787 5.039 1.00 0.64 H new ATOM 0 HA LEU A 76 6.832 2.364 7.260 1.00 0.84 H new ATOM 0 HB2 LEU A 76 8.052 1.191 5.164 1.00 0.92 H new ATOM 0 HB3 LEU A 76 6.941 0.370 6.242 1.00 0.92 H new ATOM 0 HG LEU A 76 6.518 -0.155 3.893 1.00 0.74 H new ATOM 0 HD11 LEU A 76 4.101 0.280 3.865 1.00 1.19 H new ATOM 0 HD12 LEU A 76 4.665 -0.257 5.465 1.00 1.19 H new ATOM 0 HD13 LEU A 76 4.304 1.462 5.180 1.00 1.19 H new ATOM 0 HD21 LEU A 76 5.591 1.545 2.380 1.00 1.31 H new ATOM 0 HD22 LEU A 76 5.877 2.792 3.616 1.00 1.31 H new ATOM 0 HD23 LEU A 76 7.253 1.934 2.883 1.00 1.31 H new ATOM 773 N LYS A 77 7.264 4.207 4.593 1.00 1.10 N ATOM 774 CA LYS A 77 8.081 5.247 3.993 1.00 1.55 C ATOM 775 C LYS A 77 7.947 6.549 4.768 1.00 1.37 C ATOM 776 O LYS A 77 8.010 7.633 4.187 1.00 1.74 O ATOM 777 CB LYS A 77 7.664 5.493 2.546 1.00 2.28 C ATOM 778 CG LYS A 77 7.656 4.255 1.677 1.00 2.99 C ATOM 779 CD LYS A 77 8.943 3.462 1.808 1.00 3.04 C ATOM 780 CE LYS A 77 10.158 4.286 1.411 1.00 3.86 C ATOM 781 NZ LYS A 77 11.407 3.489 1.471 1.00 4.42 N ATOM 0 H LYS A 77 6.385 4.028 4.107 1.00 1.10 H new ATOM 0 HA LYS A 77 9.117 4.909 4.022 1.00 1.55 H new ATOM 0 HB2 LYS A 77 6.667 5.934 2.538 1.00 2.28 H new ATOM 0 HB3 LYS A 77 8.340 6.226 2.106 1.00 2.28 H new ATOM 0 HG2 LYS A 77 6.811 3.624 1.953 1.00 2.99 H new ATOM 0 HG3 LYS A 77 7.512 4.544 0.636 1.00 2.99 H new ATOM 0 HD2 LYS A 77 9.056 3.120 2.837 1.00 3.04 H new ATOM 0 HD3 LYS A 77 8.887 2.572 1.181 1.00 3.04 H new ATOM 0 HE2 LYS A 77 10.021 4.672 0.401 1.00 3.86 H new ATOM 0 HE3 LYS A 77 10.245 5.148 2.073 1.00 3.86 H new ATOM 0 HZ1 LYS A 77 12.037 3.885 2.198 1.00 4.42 H new ATOM 0 HZ2 LYS A 77 11.179 2.503 1.710 1.00 4.42 H new ATOM 0 HZ3 LYS A 77 11.883 3.519 0.547 1.00 4.42 H new ATOM 795 N HIS A 78 7.750 6.449 6.071 1.00 1.66 N ATOM 796 CA HIS A 78 7.606 7.631 6.906 1.00 2.18 C ATOM 797 C HIS A 78 7.343 7.220 8.343 1.00 2.90 C ATOM 798 O HIS A 78 6.687 7.986 9.075 1.00 3.54 O ATOM 799 CB HIS A 78 6.461 8.509 6.394 1.00 2.51 C ATOM 800 CG HIS A 78 6.581 9.948 6.786 1.00 3.19 C ATOM 801 ND1 HIS A 78 6.929 10.932 5.893 1.00 3.85 N ATOM 802 CD2 HIS A 78 6.376 10.572 7.969 1.00 3.87 C ATOM 803 CE1 HIS A 78 6.933 12.099 6.503 1.00 4.66 C ATOM 804 NE2 HIS A 78 6.599 11.912 7.766 1.00 4.69 N ATOM 805 OXT HIS A 78 7.788 6.119 8.734 1.00 3.32 O ATOM 0 H HIS A 78 7.686 5.564 6.574 1.00 1.66 H new ATOM 0 HA HIS A 78 8.531 8.205 6.863 1.00 2.18 H new ATOM 0 HB2 HIS A 78 6.421 8.440 5.307 1.00 2.51 H new ATOM 0 HB3 HIS A 78 5.517 8.116 6.773 1.00 2.51 H new ATOM 0 HD2 HIS A 78 6.090 10.104 8.899 1.00 3.87 H new ATOM 0 HE1 HIS A 78 7.170 13.049 6.047 1.00 4.66 H new ATOM 0 HE2 HIS A 78 6.520 12.642 8.474 1.00 4.69 H new TER 814 HIS A 78