USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0812 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.865 (180deg=-1.3) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -37:sc= -2.26! USER MOD Single : A 16 LYS NZ :NH3+ -129:sc= -0.103 (180deg=-0.839) USER MOD Single : A 18 GLN : amide:sc= -0.366 K(o=-0.37,f=-4.5!) USER MOD Single : A 24 THR OG1 : rot -69:sc= 0.633 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -0.368 (180deg=-1.33!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0747 USER MOD Single : A 32 GLN : amide:sc= -3.8! K(o=-3.8!,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.2!) USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= -5.77! (180deg=-7.18!) USER MOD Single : A 37 GLN : amide:sc= -2.33! K(o=-2.3!,f=-1) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.904 (180deg=-1.56) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -2.57! (180deg=-4.48!) USER MOD Single : A 51 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 56 SER OG : rot 150:sc= -0.108 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 177:sc= 0 (180deg=-0.00391) USER MOD Single : A 64 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.9) USER MOD Single : A 69 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.184 5.872 -10.631 1.00 12.04 N ATOM 2 CA GLY A 1 1.877 4.717 -9.993 1.00 11.18 C ATOM 3 C GLY A 1 2.140 3.615 -11.026 1.00 10.20 C ATOM 4 O GLY A 1 3.127 3.644 -11.733 1.00 10.51 O ATOM 0 H1 GLY A 1 1.013 6.610 -9.919 1.00 12.04 H new ATOM 0 H2 GLY A 1 1.779 6.257 -11.392 1.00 12.04 H new ATOM 0 H3 GLY A 1 0.276 5.556 -11.028 1.00 12.04 H new ATOM 0 HA2 GLY A 1 2.819 5.047 -9.555 1.00 11.18 H new ATOM 0 HA3 GLY A 1 1.268 4.324 -9.179 1.00 11.18 H new ATOM 10 N SER A 2 1.243 2.669 -11.089 1.00 9.09 N ATOM 11 CA SER A 2 1.411 1.557 -12.060 1.00 8.18 C ATOM 12 C SER A 2 0.781 1.901 -13.428 1.00 8.67 C ATOM 13 O SER A 2 -0.408 2.143 -13.496 1.00 8.54 O ATOM 14 CB SER A 2 0.665 0.342 -11.493 1.00 7.50 C ATOM 15 OG SER A 2 1.563 -0.204 -10.540 1.00 7.54 O ATOM 0 H SER A 2 0.404 2.620 -10.511 1.00 9.09 H new ATOM 0 HA SER A 2 2.475 1.368 -12.205 1.00 8.18 H new ATOM 0 HB2 SER A 2 -0.278 0.634 -11.030 1.00 7.50 H new ATOM 0 HB3 SER A 2 0.427 -0.379 -12.275 1.00 7.50 H new ATOM 0 HG SER A 2 1.158 -0.994 -10.124 1.00 7.54 H new ATOM 21 N PRO A 3 1.560 1.928 -14.508 1.00 9.65 N ATOM 22 CA PRO A 3 0.997 2.249 -15.835 1.00 10.22 C ATOM 23 C PRO A 3 0.064 1.143 -16.339 1.00 8.75 C ATOM 24 O PRO A 3 -0.180 1.021 -17.523 1.00 9.29 O ATOM 25 CB PRO A 3 2.213 2.355 -16.769 1.00 11.84 C ATOM 26 CG PRO A 3 3.468 1.949 -15.957 1.00 12.34 C ATOM 27 CD PRO A 3 3.026 1.708 -14.508 1.00 10.69 C ATOM 0 HA PRO A 3 0.405 3.163 -15.795 1.00 10.22 H new ATOM 0 HB2 PRO A 3 2.089 1.703 -17.633 1.00 11.84 H new ATOM 0 HB3 PRO A 3 2.316 3.371 -17.149 1.00 11.84 H new ATOM 0 HG2 PRO A 3 3.919 1.049 -16.374 1.00 12.34 H new ATOM 0 HG3 PRO A 3 4.223 2.734 -16.001 1.00 12.34 H new ATOM 0 HD2 PRO A 3 3.273 0.697 -14.184 1.00 10.69 H new ATOM 0 HD3 PRO A 3 3.527 2.393 -13.824 1.00 10.69 H new ATOM 35 N THR A 4 -0.434 0.363 -15.424 1.00 7.17 N ATOM 36 CA THR A 4 -1.352 -0.744 -15.806 1.00 5.80 C ATOM 37 C THR A 4 -2.466 -0.871 -14.767 1.00 3.93 C ATOM 38 O THR A 4 -2.358 -0.330 -13.685 1.00 3.78 O ATOM 39 CB THR A 4 -0.550 -2.048 -15.845 1.00 5.68 C ATOM 40 OG1 THR A 4 0.591 -1.757 -16.631 1.00 7.91 O ATOM 41 CG2 THR A 4 -1.298 -3.127 -16.639 1.00 6.85 C ATOM 0 H THR A 4 -0.245 0.444 -14.425 1.00 7.17 H new ATOM 0 HA THR A 4 -1.793 -0.540 -16.782 1.00 5.80 H new ATOM 0 HB THR A 4 -0.351 -2.391 -14.830 1.00 5.68 H new ATOM 0 HG1 THR A 4 1.155 -2.556 -16.697 1.00 7.91 H new ATOM 0 HG21 THR A 4 -0.708 -4.044 -16.652 1.00 6.85 H new ATOM 0 HG22 THR A 4 -2.262 -3.322 -16.169 1.00 6.85 H new ATOM 0 HG23 THR A 4 -1.456 -2.783 -17.661 1.00 6.85 H new ATOM 49 N PHE A 5 -3.513 -1.578 -15.106 1.00 3.11 N ATOM 50 CA PHE A 5 -4.626 -1.729 -14.128 1.00 1.49 C ATOM 51 C PHE A 5 -5.295 -3.100 -14.230 1.00 1.83 C ATOM 52 O PHE A 5 -6.410 -3.215 -14.697 1.00 3.90 O ATOM 53 CB PHE A 5 -5.675 -0.649 -14.424 1.00 2.93 C ATOM 54 CG PHE A 5 -5.008 0.727 -14.407 1.00 2.39 C ATOM 55 CD1 PHE A 5 -4.319 1.187 -15.515 1.00 3.19 C ATOM 56 CD2 PHE A 5 -5.084 1.529 -13.283 1.00 2.60 C ATOM 57 CE1 PHE A 5 -3.718 2.429 -15.499 1.00 4.34 C ATOM 58 CE2 PHE A 5 -4.483 2.771 -13.267 1.00 3.31 C ATOM 59 CZ PHE A 5 -3.798 3.221 -14.374 1.00 4.32 C ATOM 0 H PHE A 5 -3.643 -2.049 -16.001 1.00 3.11 H new ATOM 0 HA PHE A 5 -4.216 -1.629 -13.123 1.00 1.49 H new ATOM 0 HB2 PHE A 5 -6.135 -0.830 -15.395 1.00 2.93 H new ATOM 0 HB3 PHE A 5 -6.472 -0.688 -13.682 1.00 2.93 H new ATOM 0 HD1 PHE A 5 -4.251 0.570 -16.399 1.00 3.19 H new ATOM 0 HD2 PHE A 5 -5.618 1.181 -12.411 1.00 2.60 H new ATOM 0 HE1 PHE A 5 -3.184 2.781 -16.369 1.00 4.34 H new ATOM 0 HE2 PHE A 5 -4.550 3.391 -12.385 1.00 3.31 H new ATOM 0 HZ PHE A 5 -3.325 4.192 -14.360 1.00 4.32 H new ATOM 69 N LYS A 6 -4.601 -4.114 -13.787 1.00 0.36 N ATOM 70 CA LYS A 6 -5.181 -5.481 -13.849 1.00 0.41 C ATOM 71 C LYS A 6 -5.918 -5.789 -12.545 1.00 0.50 C ATOM 72 O LYS A 6 -5.663 -5.163 -11.534 1.00 0.74 O ATOM 73 CB LYS A 6 -4.034 -6.485 -14.033 1.00 0.57 C ATOM 74 CG LYS A 6 -3.756 -6.650 -15.532 1.00 0.70 C ATOM 75 CD LYS A 6 -2.640 -7.677 -15.740 1.00 2.01 C ATOM 76 CE LYS A 6 -1.310 -6.943 -15.907 1.00 2.11 C ATOM 77 NZ LYS A 6 -1.032 -6.088 -14.721 1.00 2.63 N ATOM 0 H LYS A 6 -3.664 -4.053 -13.388 1.00 0.36 H new ATOM 0 HA LYS A 6 -5.884 -5.550 -14.679 1.00 0.41 H new ATOM 0 HB2 LYS A 6 -3.139 -6.133 -13.520 1.00 0.57 H new ATOM 0 HB3 LYS A 6 -4.299 -7.445 -13.590 1.00 0.57 H new ATOM 0 HG2 LYS A 6 -4.661 -6.973 -16.046 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -3.468 -5.692 -15.966 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -2.590 -8.356 -14.889 1.00 2.01 H new ATOM 0 HD3 LYS A 6 -2.847 -8.285 -16.621 1.00 2.01 H new ATOM 0 HE2 LYS A 6 -0.504 -7.665 -16.039 1.00 2.11 H new ATOM 0 HE3 LYS A 6 -1.338 -6.328 -16.807 1.00 2.11 H new ATOM 0 HZ1 LYS A 6 -0.041 -5.773 -14.745 1.00 2.63 H new ATOM 0 HZ2 LYS A 6 -1.660 -5.259 -14.736 1.00 2.63 H new ATOM 0 HZ3 LYS A 6 -1.201 -6.634 -13.852 1.00 2.63 H new ATOM 91 N CYS A 7 -6.814 -6.740 -12.574 1.00 0.45 N ATOM 92 CA CYS A 7 -7.549 -7.063 -11.325 1.00 0.54 C ATOM 93 C CYS A 7 -6.609 -7.676 -10.297 1.00 0.62 C ATOM 94 O CYS A 7 -5.885 -8.607 -10.590 1.00 1.15 O ATOM 95 CB CYS A 7 -8.659 -8.068 -11.652 1.00 0.69 C ATOM 96 SG CYS A 7 -9.996 -7.512 -12.738 1.00 2.57 S ATOM 0 H CYS A 7 -7.063 -7.295 -13.393 1.00 0.45 H new ATOM 0 HA CYS A 7 -7.972 -6.147 -10.912 1.00 0.54 H new ATOM 0 HB2 CYS A 7 -8.197 -8.943 -12.109 1.00 0.69 H new ATOM 0 HB3 CYS A 7 -9.103 -8.396 -10.712 1.00 0.69 H new ATOM 0 HG CYS A 7 -10.845 -8.481 -12.912 1.00 2.57 H new ATOM 102 N ALA A 8 -6.636 -7.135 -9.111 1.00 0.37 N ATOM 103 CA ALA A 8 -5.753 -7.667 -8.043 1.00 0.33 C ATOM 104 C ALA A 8 -6.461 -7.632 -6.693 1.00 0.29 C ATOM 105 O ALA A 8 -7.561 -7.130 -6.579 1.00 0.29 O ATOM 106 CB ALA A 8 -4.497 -6.790 -7.976 1.00 0.40 C ATOM 0 H ALA A 8 -7.229 -6.351 -8.838 1.00 0.37 H new ATOM 0 HA ALA A 8 -5.493 -8.701 -8.270 1.00 0.33 H new ATOM 0 HB1 ALA A 8 -3.833 -7.164 -7.196 1.00 0.40 H new ATOM 0 HB2 ALA A 8 -3.981 -6.819 -8.936 1.00 0.40 H new ATOM 0 HB3 ALA A 8 -4.782 -5.763 -7.748 1.00 0.40 H new ATOM 112 N VAL A 9 -5.812 -8.164 -5.694 1.00 0.26 N ATOM 113 CA VAL A 9 -6.426 -8.176 -4.349 1.00 0.26 C ATOM 114 C VAL A 9 -5.352 -8.081 -3.281 1.00 0.29 C ATOM 115 O VAL A 9 -4.213 -7.785 -3.561 1.00 0.30 O ATOM 116 CB VAL A 9 -7.182 -9.514 -4.162 1.00 0.17 C ATOM 117 CG1 VAL A 9 -7.753 -9.969 -5.501 1.00 0.11 C ATOM 118 CG2 VAL A 9 -6.240 -10.618 -3.643 1.00 0.14 C ATOM 0 H VAL A 9 -4.886 -8.588 -5.756 1.00 0.26 H new ATOM 0 HA VAL A 9 -7.104 -7.328 -4.258 1.00 0.26 H new ATOM 0 HB VAL A 9 -7.978 -9.349 -3.436 1.00 0.17 H new ATOM 0 HG11 VAL A 9 -8.285 -10.911 -5.368 1.00 0.11 H new ATOM 0 HG12 VAL A 9 -8.442 -9.213 -5.879 1.00 0.11 H new ATOM 0 HG13 VAL A 9 -6.941 -10.108 -6.214 1.00 0.11 H new ATOM 0 HG21 VAL A 9 -6.799 -11.546 -3.521 1.00 0.14 H new ATOM 0 HG22 VAL A 9 -5.432 -10.772 -4.358 1.00 0.14 H new ATOM 0 HG23 VAL A 9 -5.822 -10.318 -2.682 1.00 0.14 H new ATOM 128 N LYS A 10 -5.759 -8.311 -2.082 1.00 0.30 N ATOM 129 CA LYS A 10 -4.816 -8.262 -0.941 1.00 0.31 C ATOM 130 C LYS A 10 -5.278 -9.290 0.088 1.00 0.25 C ATOM 131 O LYS A 10 -6.056 -8.976 0.963 1.00 0.25 O ATOM 132 CB LYS A 10 -4.851 -6.870 -0.302 1.00 0.39 C ATOM 133 CG LYS A 10 -4.045 -6.920 1.000 1.00 0.50 C ATOM 134 CD LYS A 10 -3.533 -5.521 1.340 1.00 0.78 C ATOM 135 CE LYS A 10 -2.148 -5.326 0.721 1.00 1.47 C ATOM 136 NZ LYS A 10 -1.706 -3.911 0.874 1.00 2.21 N ATOM 0 H LYS A 10 -6.722 -8.536 -1.833 1.00 0.30 H new ATOM 0 HA LYS A 10 -3.802 -8.475 -1.279 1.00 0.31 H new ATOM 0 HB2 LYS A 10 -4.430 -6.129 -0.982 1.00 0.39 H new ATOM 0 HB3 LYS A 10 -5.879 -6.570 -0.101 1.00 0.39 H new ATOM 0 HG2 LYS A 10 -4.668 -7.297 1.811 1.00 0.50 H new ATOM 0 HG3 LYS A 10 -3.207 -7.609 0.895 1.00 0.50 H new ATOM 0 HD2 LYS A 10 -4.223 -4.767 0.961 1.00 0.78 H new ATOM 0 HD3 LYS A 10 -3.482 -5.392 2.421 1.00 0.78 H new ATOM 0 HE2 LYS A 10 -1.431 -5.992 1.201 1.00 1.47 H new ATOM 0 HE3 LYS A 10 -2.174 -5.594 -0.335 1.00 1.47 H new ATOM 0 HZ1 LYS A 10 -0.764 -3.794 0.449 1.00 2.21 H new ATOM 0 HZ2 LYS A 10 -2.382 -3.282 0.396 1.00 2.21 H new ATOM 0 HZ3 LYS A 10 -1.663 -3.668 1.884 1.00 2.21 H new ATOM 150 N ALA A 11 -4.814 -10.506 -0.059 1.00 0.19 N ATOM 151 CA ALA A 11 -5.214 -11.581 0.897 1.00 0.13 C ATOM 152 C ALA A 11 -5.382 -11.054 2.312 1.00 0.13 C ATOM 153 O ALA A 11 -4.451 -10.555 2.909 1.00 0.13 O ATOM 154 CB ALA A 11 -4.115 -12.640 0.902 1.00 0.12 C ATOM 0 H ALA A 11 -4.176 -10.799 -0.799 1.00 0.19 H new ATOM 0 HA ALA A 11 -6.172 -11.988 0.575 1.00 0.13 H new ATOM 0 HB1 ALA A 11 -4.383 -13.439 1.594 1.00 0.12 H new ATOM 0 HB2 ALA A 11 -4.002 -13.051 -0.101 1.00 0.12 H new ATOM 0 HB3 ALA A 11 -3.175 -12.187 1.217 1.00 0.12 H new ATOM 160 N LEU A 12 -6.581 -11.152 2.810 1.00 0.13 N ATOM 161 CA LEU A 12 -6.832 -10.668 4.184 1.00 0.14 C ATOM 162 C LEU A 12 -6.452 -11.774 5.157 1.00 0.20 C ATOM 163 O LEU A 12 -5.963 -11.516 6.240 1.00 0.26 O ATOM 164 CB LEU A 12 -8.327 -10.353 4.345 1.00 0.26 C ATOM 165 CG LEU A 12 -8.833 -9.547 3.137 1.00 0.37 C ATOM 166 CD1 LEU A 12 -10.348 -9.379 3.276 1.00 0.58 C ATOM 167 CD2 LEU A 12 -8.173 -8.161 3.128 1.00 0.49 C ATOM 0 H LEU A 12 -7.389 -11.544 2.326 1.00 0.13 H new ATOM 0 HA LEU A 12 -6.247 -9.770 4.380 1.00 0.14 H new ATOM 0 HB2 LEU A 12 -8.894 -11.280 4.436 1.00 0.26 H new ATOM 0 HB3 LEU A 12 -8.490 -9.788 5.263 1.00 0.26 H new ATOM 0 HG LEU A 12 -8.587 -10.067 2.211 1.00 0.37 H new ATOM 0 HD11 LEU A 12 -10.730 -8.809 2.429 1.00 0.58 H new ATOM 0 HD12 LEU A 12 -10.822 -10.360 3.297 1.00 0.58 H new ATOM 0 HD13 LEU A 12 -10.572 -8.848 4.201 1.00 0.58 H new ATOM 0 HD21 LEU A 12 -8.533 -7.592 2.271 1.00 0.49 H new ATOM 0 HD22 LEU A 12 -8.425 -7.632 4.047 1.00 0.49 H new ATOM 0 HD23 LEU A 12 -7.091 -8.274 3.060 1.00 0.49 H new ATOM 179 N PHE A 13 -6.682 -12.994 4.728 1.00 0.41 N ATOM 180 CA PHE A 13 -6.350 -14.166 5.586 1.00 0.60 C ATOM 181 C PHE A 13 -5.277 -15.008 4.881 1.00 0.87 C ATOM 182 O PHE A 13 -5.362 -15.264 3.697 1.00 1.80 O ATOM 183 CB PHE A 13 -7.614 -15.028 5.819 1.00 0.73 C ATOM 184 CG PHE A 13 -8.822 -14.160 6.246 1.00 0.60 C ATOM 185 CD1 PHE A 13 -8.657 -12.974 6.948 1.00 0.38 C ATOM 186 CD2 PHE A 13 -10.110 -14.561 5.921 1.00 0.84 C ATOM 187 CE1 PHE A 13 -9.746 -12.209 7.303 1.00 0.52 C ATOM 188 CE2 PHE A 13 -11.198 -13.792 6.283 1.00 0.91 C ATOM 189 CZ PHE A 13 -11.017 -12.618 6.972 1.00 0.78 C ATOM 0 H PHE A 13 -7.086 -13.223 3.820 1.00 0.41 H new ATOM 0 HA PHE A 13 -5.979 -13.819 6.550 1.00 0.60 H new ATOM 0 HB2 PHE A 13 -7.859 -15.570 4.906 1.00 0.73 H new ATOM 0 HB3 PHE A 13 -7.411 -15.774 6.588 1.00 0.73 H new ATOM 0 HD1 PHE A 13 -7.664 -12.647 7.219 1.00 0.38 H new ATOM 0 HD2 PHE A 13 -10.263 -15.483 5.380 1.00 0.84 H new ATOM 0 HE1 PHE A 13 -9.602 -11.285 7.843 1.00 0.52 H new ATOM 0 HE2 PHE A 13 -12.195 -14.115 6.023 1.00 0.91 H new ATOM 0 HZ PHE A 13 -11.870 -12.018 7.253 1.00 0.78 H new ATOM 199 N ASP A 14 -4.290 -15.411 5.634 1.00 0.50 N ATOM 200 CA ASP A 14 -3.179 -16.233 5.057 1.00 0.56 C ATOM 201 C ASP A 14 -3.616 -17.614 4.547 1.00 0.57 C ATOM 202 O ASP A 14 -4.733 -18.032 4.738 1.00 0.98 O ATOM 203 CB ASP A 14 -2.146 -16.435 6.168 1.00 0.61 C ATOM 204 CG ASP A 14 -1.840 -15.081 6.815 1.00 2.15 C ATOM 205 OD1 ASP A 14 -2.775 -14.516 7.358 1.00 3.33 O ATOM 206 OD2 ASP A 14 -0.690 -14.687 6.727 1.00 3.04 O ATOM 0 H ASP A 14 -4.202 -15.207 6.629 1.00 0.50 H new ATOM 0 HA ASP A 14 -2.789 -15.697 4.192 1.00 0.56 H new ATOM 0 HB2 ASP A 14 -2.527 -17.132 6.915 1.00 0.61 H new ATOM 0 HB3 ASP A 14 -1.235 -16.872 5.760 1.00 0.61 H new ATOM 211 N TYR A 15 -2.686 -18.286 3.900 1.00 0.17 N ATOM 212 CA TYR A 15 -2.961 -19.649 3.343 1.00 0.21 C ATOM 213 C TYR A 15 -1.716 -20.521 3.508 1.00 0.26 C ATOM 214 O TYR A 15 -0.700 -20.054 3.983 1.00 0.29 O ATOM 215 CB TYR A 15 -3.267 -19.510 1.841 1.00 0.24 C ATOM 216 CG TYR A 15 -3.945 -20.778 1.306 1.00 0.22 C ATOM 217 CD1 TYR A 15 -3.197 -21.870 0.903 1.00 0.16 C ATOM 218 CD2 TYR A 15 -5.319 -20.872 1.284 1.00 0.28 C ATOM 219 CE1 TYR A 15 -3.800 -23.027 0.515 1.00 0.17 C ATOM 220 CE2 TYR A 15 -5.939 -22.041 0.882 1.00 0.28 C ATOM 221 CZ TYR A 15 -5.178 -23.136 0.498 1.00 0.23 C ATOM 222 OH TYR A 15 -5.781 -24.334 0.174 1.00 0.26 O ATOM 0 H TYR A 15 -1.740 -17.942 3.734 1.00 0.17 H new ATOM 0 HA TYR A 15 -3.803 -20.102 3.866 1.00 0.21 H new ATOM 0 HB2 TYR A 15 -3.913 -18.648 1.675 1.00 0.24 H new ATOM 0 HB3 TYR A 15 -2.343 -19.326 1.292 1.00 0.24 H new ATOM 0 HD1 TYR A 15 -2.119 -21.803 0.896 1.00 0.16 H new ATOM 0 HD2 TYR A 15 -5.918 -20.025 1.584 1.00 0.28 H new ATOM 0 HE1 TYR A 15 -3.195 -23.870 0.217 1.00 0.17 H new ATOM 0 HE2 TYR A 15 -7.017 -22.102 0.867 1.00 0.28 H new ATOM 0 HH TYR A 15 -5.265 -24.780 -0.530 1.00 0.26 H new ATOM 232 N LYS A 16 -1.808 -21.767 3.123 1.00 0.27 N ATOM 233 CA LYS A 16 -0.617 -22.649 3.265 1.00 0.31 C ATOM 234 C LYS A 16 -0.518 -23.774 2.217 1.00 0.30 C ATOM 235 O LYS A 16 -0.591 -24.935 2.567 1.00 0.44 O ATOM 236 CB LYS A 16 -0.665 -23.288 4.662 1.00 0.40 C ATOM 237 CG LYS A 16 0.641 -24.053 4.927 1.00 0.74 C ATOM 238 CD LYS A 16 0.940 -24.037 6.428 1.00 0.50 C ATOM 239 CE LYS A 16 -0.213 -24.710 7.177 1.00 2.72 C ATOM 240 NZ LYS A 16 -1.106 -23.688 7.788 1.00 3.81 N ATOM 0 H LYS A 16 -2.639 -22.204 2.724 1.00 0.27 H new ATOM 0 HA LYS A 16 0.258 -22.017 3.113 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -0.807 -22.518 5.420 1.00 0.40 H new ATOM 0 HB3 LYS A 16 -1.516 -23.966 4.733 1.00 0.40 H new ATOM 0 HG2 LYS A 16 0.553 -25.080 4.573 1.00 0.74 H new ATOM 0 HG3 LYS A 16 1.462 -23.595 4.376 1.00 0.74 H new ATOM 0 HD2 LYS A 16 1.875 -24.559 6.630 1.00 0.50 H new ATOM 0 HD3 LYS A 16 1.066 -23.011 6.775 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -0.783 -25.336 6.491 1.00 2.72 H new ATOM 0 HE3 LYS A 16 0.183 -25.366 7.953 1.00 2.72 H new ATOM 0 HZ1 LYS A 16 -1.252 -23.911 8.793 1.00 3.81 H new ATOM 0 HZ2 LYS A 16 -0.669 -22.748 7.701 1.00 3.81 H new ATOM 0 HZ3 LYS A 16 -2.023 -23.690 7.297 1.00 3.81 H new ATOM 254 N ALA A 17 -0.362 -23.420 0.956 1.00 0.19 N ATOM 255 CA ALA A 17 -0.247 -24.485 -0.099 1.00 0.24 C ATOM 256 C ALA A 17 1.166 -24.431 -0.629 1.00 0.33 C ATOM 257 O ALA A 17 1.851 -25.426 -0.758 1.00 0.44 O ATOM 258 CB ALA A 17 -1.157 -24.234 -1.305 1.00 0.24 C ATOM 0 H ALA A 17 -0.310 -22.459 0.618 1.00 0.19 H new ATOM 0 HA ALA A 17 -0.524 -25.435 0.358 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -1.028 -25.037 -2.031 1.00 0.24 H new ATOM 0 HB2 ALA A 17 -2.196 -24.204 -0.977 1.00 0.24 H new ATOM 0 HB3 ALA A 17 -0.895 -23.282 -1.767 1.00 0.24 H new ATOM 264 N GLN A 18 1.533 -23.222 -0.944 1.00 0.29 N ATOM 265 CA GLN A 18 2.894 -22.931 -1.489 1.00 0.38 C ATOM 266 C GLN A 18 3.092 -23.498 -2.889 1.00 0.62 C ATOM 267 O GLN A 18 3.853 -22.965 -3.672 1.00 0.86 O ATOM 268 CB GLN A 18 3.945 -23.552 -0.555 1.00 0.43 C ATOM 269 CG GLN A 18 5.325 -22.921 -0.817 1.00 0.55 C ATOM 270 CD GLN A 18 6.169 -22.986 0.457 1.00 0.82 C ATOM 271 OE1 GLN A 18 5.877 -22.338 1.443 1.00 1.60 O ATOM 272 NE2 GLN A 18 7.225 -23.754 0.480 1.00 1.10 N ATOM 0 H GLN A 18 0.935 -22.402 -0.845 1.00 0.29 H new ATOM 0 HA GLN A 18 3.002 -21.848 -1.548 1.00 0.38 H new ATOM 0 HB2 GLN A 18 3.657 -23.396 0.484 1.00 0.43 H new ATOM 0 HB3 GLN A 18 3.993 -24.629 -0.714 1.00 0.43 H new ATOM 0 HG2 GLN A 18 5.829 -23.448 -1.627 1.00 0.55 H new ATOM 0 HG3 GLN A 18 5.208 -21.885 -1.135 1.00 0.55 H new ATOM 0 HE21 GLN A 18 7.476 -24.301 -0.344 1.00 1.10 H new ATOM 0 HE22 GLN A 18 7.799 -23.807 1.322 1.00 1.10 H new ATOM 281 N ARG A 19 2.403 -24.558 -3.179 1.00 0.60 N ATOM 282 CA ARG A 19 2.542 -25.169 -4.521 1.00 0.83 C ATOM 283 C ARG A 19 1.534 -26.300 -4.688 1.00 0.79 C ATOM 284 O ARG A 19 1.867 -27.455 -4.517 1.00 1.03 O ATOM 285 CB ARG A 19 3.970 -25.743 -4.643 1.00 1.12 C ATOM 286 CG ARG A 19 4.103 -26.533 -5.955 1.00 1.60 C ATOM 287 CD ARG A 19 5.576 -26.599 -6.370 1.00 1.85 C ATOM 288 NE ARG A 19 5.844 -25.538 -7.378 1.00 1.12 N ATOM 289 CZ ARG A 19 7.061 -25.101 -7.535 1.00 2.08 C ATOM 290 NH1 ARG A 19 7.869 -25.755 -8.322 1.00 2.67 N ATOM 291 NH2 ARG A 19 7.433 -24.028 -6.895 1.00 4.00 N ATOM 0 H ARG A 19 1.752 -25.026 -2.548 1.00 0.60 H new ATOM 0 HA ARG A 19 2.360 -24.418 -5.290 1.00 0.83 H new ATOM 0 HB2 ARG A 19 4.700 -24.934 -4.619 1.00 1.12 H new ATOM 0 HB3 ARG A 19 4.185 -26.392 -3.794 1.00 1.12 H new ATOM 0 HG2 ARG A 19 3.706 -27.540 -5.826 1.00 1.60 H new ATOM 0 HG3 ARG A 19 3.515 -26.056 -6.739 1.00 1.60 H new ATOM 0 HD2 ARG A 19 6.219 -26.463 -5.500 1.00 1.85 H new ATOM 0 HD3 ARG A 19 5.806 -27.580 -6.786 1.00 1.85 H new ATOM 0 HE ARG A 19 5.083 -25.157 -7.940 1.00 1.12 H new ATOM 0 HH11 ARG A 19 7.545 -26.594 -8.803 1.00 2.67 H new ATOM 0 HH12 ARG A 19 8.826 -25.428 -8.457 1.00 2.67 H new ATOM 0 HH21 ARG A 19 6.775 -23.545 -6.283 1.00 4.00 H new ATOM 0 HH22 ARG A 19 8.382 -23.671 -7.006 1.00 4.00 H new ATOM 305 N GLU A 20 0.305 -25.960 -4.983 1.00 0.56 N ATOM 306 CA GLU A 20 -0.696 -27.059 -5.151 1.00 0.52 C ATOM 307 C GLU A 20 -1.796 -26.684 -6.131 1.00 0.51 C ATOM 308 O GLU A 20 -2.684 -27.465 -6.384 1.00 1.09 O ATOM 309 CB GLU A 20 -1.310 -27.350 -3.765 1.00 0.43 C ATOM 310 CG GLU A 20 -2.643 -26.598 -3.575 1.00 0.53 C ATOM 311 CD GLU A 20 -3.825 -27.397 -4.148 1.00 0.92 C ATOM 312 OE1 GLU A 20 -3.633 -28.581 -4.372 1.00 1.68 O ATOM 313 OE2 GLU A 20 -4.859 -26.776 -4.329 1.00 0.66 O ATOM 0 H GLU A 20 -0.041 -25.009 -5.111 1.00 0.56 H new ATOM 0 HA GLU A 20 -0.195 -27.938 -5.556 1.00 0.52 H new ATOM 0 HB2 GLU A 20 -1.476 -28.422 -3.656 1.00 0.43 H new ATOM 0 HB3 GLU A 20 -0.609 -27.055 -2.985 1.00 0.43 H new ATOM 0 HG2 GLU A 20 -2.809 -26.411 -2.514 1.00 0.53 H new ATOM 0 HG3 GLU A 20 -2.587 -25.626 -4.065 1.00 0.53 H new ATOM 320 N ASP A 21 -1.618 -25.533 -6.715 1.00 0.48 N ATOM 321 CA ASP A 21 -2.569 -24.943 -7.701 1.00 0.57 C ATOM 322 C ASP A 21 -3.208 -23.833 -6.896 1.00 0.80 C ATOM 323 O ASP A 21 -4.002 -23.048 -7.359 1.00 1.95 O ATOM 324 CB ASP A 21 -3.654 -25.923 -8.197 1.00 0.45 C ATOM 325 CG ASP A 21 -3.000 -27.101 -8.927 1.00 0.60 C ATOM 326 OD1 ASP A 21 -1.845 -27.354 -8.631 1.00 0.76 O ATOM 327 OD2 ASP A 21 -3.693 -27.676 -9.749 1.00 2.16 O ATOM 0 H ASP A 21 -0.804 -24.944 -6.537 1.00 0.48 H new ATOM 0 HA ASP A 21 -2.059 -24.633 -8.613 1.00 0.57 H new ATOM 0 HB2 ASP A 21 -4.240 -26.287 -7.353 1.00 0.45 H new ATOM 0 HB3 ASP A 21 -4.344 -25.407 -8.865 1.00 0.45 H new ATOM 332 N GLU A 22 -2.782 -23.848 -5.656 1.00 0.32 N ATOM 333 CA GLU A 22 -3.216 -22.887 -4.619 1.00 0.10 C ATOM 334 C GLU A 22 -1.891 -22.464 -3.960 1.00 0.15 C ATOM 335 O GLU A 22 -0.936 -23.204 -4.089 1.00 0.25 O ATOM 336 CB GLU A 22 -4.125 -23.631 -3.616 1.00 0.08 C ATOM 337 CG GLU A 22 -5.277 -22.741 -3.149 1.00 0.09 C ATOM 338 CD GLU A 22 -6.171 -23.544 -2.210 1.00 0.23 C ATOM 339 OE1 GLU A 22 -6.042 -24.758 -2.245 1.00 0.39 O ATOM 340 OE2 GLU A 22 -6.933 -22.902 -1.506 1.00 0.68 O ATOM 0 H GLU A 22 -2.110 -24.534 -5.313 1.00 0.32 H new ATOM 0 HA GLU A 22 -3.780 -22.033 -4.994 1.00 0.10 H new ATOM 0 HB2 GLU A 22 -4.524 -24.532 -4.082 1.00 0.08 H new ATOM 0 HB3 GLU A 22 -3.537 -23.950 -2.756 1.00 0.08 H new ATOM 0 HG2 GLU A 22 -4.889 -21.859 -2.639 1.00 0.09 H new ATOM 0 HG3 GLU A 22 -5.851 -22.387 -4.005 1.00 0.09 H new ATOM 347 N LEU A 23 -1.799 -21.319 -3.305 1.00 0.11 N ATOM 348 CA LEU A 23 -0.462 -20.966 -2.684 1.00 0.20 C ATOM 349 C LEU A 23 -0.549 -20.625 -1.210 1.00 0.15 C ATOM 350 O LEU A 23 -1.595 -20.284 -0.705 1.00 0.08 O ATOM 351 CB LEU A 23 0.176 -19.741 -3.353 1.00 0.28 C ATOM 352 CG LEU A 23 -0.377 -19.528 -4.759 1.00 0.34 C ATOM 353 CD1 LEU A 23 -1.169 -18.216 -4.877 1.00 0.34 C ATOM 354 CD2 LEU A 23 0.819 -19.504 -5.701 1.00 0.38 C ATOM 0 H LEU A 23 -2.550 -20.641 -3.175 1.00 0.11 H new ATOM 0 HA LEU A 23 0.135 -21.867 -2.829 1.00 0.20 H new ATOM 0 HB2 LEU A 23 -0.012 -18.854 -2.748 1.00 0.28 H new ATOM 0 HB3 LEU A 23 1.257 -19.872 -3.401 1.00 0.28 H new ATOM 0 HG LEU A 23 -1.072 -20.330 -5.007 1.00 0.34 H new ATOM 0 HD11 LEU A 23 -1.543 -18.107 -5.895 1.00 0.34 H new ATOM 0 HD12 LEU A 23 -2.008 -18.234 -4.182 1.00 0.34 H new ATOM 0 HD13 LEU A 23 -0.518 -17.375 -4.638 1.00 0.34 H new ATOM 0 HD21 LEU A 23 0.474 -19.353 -6.724 1.00 0.38 H new ATOM 0 HD22 LEU A 23 1.487 -18.690 -5.420 1.00 0.38 H new ATOM 0 HD23 LEU A 23 1.354 -20.452 -5.634 1.00 0.38 H new ATOM 366 N THR A 24 0.597 -20.650 -0.580 1.00 0.25 N ATOM 367 CA THR A 24 0.675 -20.340 0.860 1.00 0.21 C ATOM 368 C THR A 24 0.769 -18.855 1.027 1.00 0.17 C ATOM 369 O THR A 24 1.267 -18.361 2.021 1.00 0.16 O ATOM 370 CB THR A 24 1.946 -20.971 1.436 1.00 0.27 C ATOM 371 OG1 THR A 24 1.999 -20.545 2.786 1.00 0.27 O ATOM 372 CG2 THR A 24 3.190 -20.347 0.799 1.00 0.30 C ATOM 0 H THR A 24 1.490 -20.877 -1.018 1.00 0.25 H new ATOM 0 HA THR A 24 -0.206 -20.728 1.372 1.00 0.21 H new ATOM 0 HB THR A 24 1.927 -22.050 1.281 1.00 0.27 H new ATOM 0 HG1 THR A 24 2.181 -19.583 2.818 1.00 0.27 H new ATOM 0 HG21 THR A 24 4.084 -20.807 1.220 1.00 0.30 H new ATOM 0 HG22 THR A 24 3.169 -20.513 -0.278 1.00 0.30 H new ATOM 0 HG23 THR A 24 3.204 -19.276 1.001 1.00 0.30 H new ATOM 380 N PHE A 25 0.302 -18.176 0.030 1.00 0.17 N ATOM 381 CA PHE A 25 0.341 -16.711 0.084 1.00 0.18 C ATOM 382 C PHE A 25 -0.123 -16.269 1.473 1.00 0.14 C ATOM 383 O PHE A 25 -1.002 -16.883 2.046 1.00 0.13 O ATOM 384 CB PHE A 25 -0.566 -16.180 -1.007 1.00 0.23 C ATOM 385 CG PHE A 25 -1.969 -16.715 -0.820 1.00 0.25 C ATOM 386 CD1 PHE A 25 -2.829 -16.144 0.091 1.00 0.22 C ATOM 387 CD2 PHE A 25 -2.401 -17.755 -1.600 1.00 0.32 C ATOM 388 CE1 PHE A 25 -4.124 -16.613 0.206 1.00 0.23 C ATOM 389 CE2 PHE A 25 -3.659 -18.229 -1.506 1.00 0.35 C ATOM 390 CZ PHE A 25 -4.538 -17.664 -0.596 1.00 0.29 C ATOM 0 H PHE A 25 -0.103 -18.576 -0.816 1.00 0.17 H new ATOM 0 HA PHE A 25 1.346 -16.322 -0.079 1.00 0.18 H new ATOM 0 HB2 PHE A 25 -0.577 -15.090 -0.983 1.00 0.23 H new ATOM 0 HB3 PHE A 25 -0.183 -16.474 -1.984 1.00 0.23 H new ATOM 0 HD1 PHE A 25 -2.492 -15.330 0.716 1.00 0.22 H new ATOM 0 HD2 PHE A 25 -1.718 -18.205 -2.306 1.00 0.32 H new ATOM 0 HE1 PHE A 25 -4.806 -16.165 0.914 1.00 0.23 H new ATOM 0 HE2 PHE A 25 -3.980 -19.045 -2.137 1.00 0.35 H new ATOM 0 HZ PHE A 25 -5.546 -18.043 -0.512 1.00 0.29 H new ATOM 400 N ILE A 26 0.461 -15.222 1.983 1.00 0.12 N ATOM 401 CA ILE A 26 0.063 -14.747 3.341 1.00 0.13 C ATOM 402 C ILE A 26 -0.812 -13.500 3.310 1.00 0.16 C ATOM 403 O ILE A 26 -1.119 -12.972 2.259 1.00 0.24 O ATOM 404 CB ILE A 26 1.348 -14.422 4.096 1.00 0.12 C ATOM 405 CG1 ILE A 26 2.374 -13.845 3.122 1.00 0.41 C ATOM 406 CG2 ILE A 26 1.899 -15.729 4.687 1.00 0.39 C ATOM 407 CD1 ILE A 26 3.442 -13.075 3.906 1.00 0.21 C ATOM 0 H ILE A 26 1.191 -14.677 1.525 1.00 0.12 H new ATOM 0 HA ILE A 26 -0.525 -15.531 3.819 1.00 0.13 H new ATOM 0 HB ILE A 26 1.150 -13.697 4.886 1.00 0.12 H new ATOM 0 HG12 ILE A 26 2.837 -14.647 2.547 1.00 0.41 H new ATOM 0 HG13 ILE A 26 1.883 -13.183 2.409 1.00 0.41 H new ATOM 0 HG21 ILE A 26 2.820 -15.522 5.233 1.00 0.39 H new ATOM 0 HG22 ILE A 26 1.163 -16.160 5.366 1.00 0.39 H new ATOM 0 HG23 ILE A 26 2.105 -16.434 3.882 1.00 0.39 H new ATOM 0 HD11 ILE A 26 4.175 -12.662 3.213 1.00 0.21 H new ATOM 0 HD12 ILE A 26 2.971 -12.264 4.462 1.00 0.21 H new ATOM 0 HD13 ILE A 26 3.940 -13.750 4.602 1.00 0.21 H new ATOM 419 N LYS A 27 -1.200 -13.051 4.481 1.00 0.11 N ATOM 420 CA LYS A 27 -2.054 -11.844 4.545 1.00 0.14 C ATOM 421 C LYS A 27 -1.285 -10.621 4.111 1.00 0.14 C ATOM 422 O LYS A 27 -0.642 -9.982 4.920 1.00 0.84 O ATOM 423 CB LYS A 27 -2.519 -11.592 5.982 1.00 0.19 C ATOM 424 CG LYS A 27 -3.352 -10.291 6.012 1.00 0.34 C ATOM 425 CD LYS A 27 -3.923 -10.082 7.423 1.00 2.13 C ATOM 426 CE LYS A 27 -2.839 -9.513 8.351 1.00 0.71 C ATOM 427 NZ LYS A 27 -2.200 -8.308 7.747 1.00 1.85 N ATOM 0 H LYS A 27 -0.961 -13.469 5.380 1.00 0.11 H new ATOM 0 HA LYS A 27 -2.904 -12.017 3.885 1.00 0.14 H new ATOM 0 HB2 LYS A 27 -3.116 -12.431 6.339 1.00 0.19 H new ATOM 0 HB3 LYS A 27 -1.660 -11.506 6.648 1.00 0.19 H new ATOM 0 HG2 LYS A 27 -2.730 -9.441 5.730 1.00 0.34 H new ATOM 0 HG3 LYS A 27 -4.162 -10.348 5.285 1.00 0.34 H new ATOM 0 HD2 LYS A 27 -4.773 -9.401 7.383 1.00 2.13 H new ATOM 0 HD3 LYS A 27 -4.292 -11.028 7.819 1.00 2.13 H new ATOM 0 HE2 LYS A 27 -3.279 -9.252 9.314 1.00 0.71 H new ATOM 0 HE3 LYS A 27 -2.082 -10.274 8.542 1.00 0.71 H new ATOM 0 HZ1 LYS A 27 -1.929 -7.644 8.500 1.00 1.85 H new ATOM 0 HZ2 LYS A 27 -1.352 -8.594 7.216 1.00 1.85 H new ATOM 0 HZ3 LYS A 27 -2.872 -7.845 7.102 1.00 1.85 H new ATOM 441 N SER A 28 -1.392 -10.320 2.856 1.00 0.66 N ATOM 442 CA SER A 28 -0.697 -9.146 2.292 1.00 0.69 C ATOM 443 C SER A 28 -0.359 -9.408 0.837 1.00 0.60 C ATOM 444 O SER A 28 -0.087 -8.499 0.077 1.00 0.54 O ATOM 445 CB SER A 28 0.617 -8.871 3.045 1.00 0.93 C ATOM 446 OG SER A 28 1.454 -8.248 2.081 1.00 1.92 O ATOM 0 H SER A 28 -1.945 -10.851 2.183 1.00 0.66 H new ATOM 0 HA SER A 28 -1.358 -8.285 2.388 1.00 0.69 H new ATOM 0 HB2 SER A 28 0.453 -8.224 3.906 1.00 0.93 H new ATOM 0 HB3 SER A 28 1.061 -9.793 3.419 1.00 0.93 H new ATOM 0 HG SER A 28 2.320 -8.037 2.487 1.00 1.92 H new ATOM 452 N ALA A 29 -0.386 -10.660 0.481 1.00 0.60 N ATOM 453 CA ALA A 29 -0.072 -11.028 -0.915 1.00 0.55 C ATOM 454 C ALA A 29 -0.963 -10.245 -1.860 1.00 0.44 C ATOM 455 O ALA A 29 -2.150 -10.132 -1.627 1.00 0.42 O ATOM 456 CB ALA A 29 -0.350 -12.520 -1.078 1.00 0.54 C ATOM 0 H ALA A 29 -0.612 -11.440 1.099 1.00 0.60 H new ATOM 0 HA ALA A 29 0.970 -10.803 -1.143 1.00 0.55 H new ATOM 0 HB1 ALA A 29 -0.127 -12.822 -2.101 1.00 0.54 H new ATOM 0 HB2 ALA A 29 0.277 -13.084 -0.388 1.00 0.54 H new ATOM 0 HB3 ALA A 29 -1.399 -12.720 -0.861 1.00 0.54 H new ATOM 462 N ILE A 30 -0.383 -9.728 -2.912 1.00 0.37 N ATOM 463 CA ILE A 30 -1.188 -8.948 -3.877 1.00 0.28 C ATOM 464 C ILE A 30 -1.320 -9.687 -5.207 1.00 0.27 C ATOM 465 O ILE A 30 -0.868 -9.235 -6.241 1.00 0.94 O ATOM 466 CB ILE A 30 -0.501 -7.601 -4.092 1.00 0.33 C ATOM 467 CG1 ILE A 30 0.276 -7.202 -2.832 1.00 0.49 C ATOM 468 CG2 ILE A 30 -1.602 -6.561 -4.354 1.00 0.29 C ATOM 469 CD1 ILE A 30 0.871 -5.806 -3.023 1.00 0.74 C ATOM 0 H ILE A 30 0.608 -9.815 -3.137 1.00 0.37 H new ATOM 0 HA ILE A 30 -2.193 -8.805 -3.479 1.00 0.28 H new ATOM 0 HB ILE A 30 0.195 -7.659 -4.929 1.00 0.33 H new ATOM 0 HG12 ILE A 30 -0.385 -7.212 -1.965 1.00 0.49 H new ATOM 0 HG13 ILE A 30 1.069 -7.924 -2.637 1.00 0.49 H new ATOM 0 HG21 ILE A 30 -1.148 -5.583 -4.513 1.00 0.29 H new ATOM 0 HG22 ILE A 30 -2.169 -6.846 -5.240 1.00 0.29 H new ATOM 0 HG23 ILE A 30 -2.271 -6.515 -3.495 1.00 0.29 H new ATOM 0 HD11 ILE A 30 1.424 -5.521 -2.128 1.00 0.74 H new ATOM 0 HD12 ILE A 30 1.545 -5.812 -3.880 1.00 0.74 H new ATOM 0 HD13 ILE A 30 0.069 -5.089 -3.198 1.00 0.74 H new ATOM 481 N ILE A 31 -1.961 -10.811 -5.144 1.00 0.53 N ATOM 482 CA ILE A 31 -2.157 -11.625 -6.368 1.00 0.44 C ATOM 483 C ILE A 31 -2.694 -10.740 -7.513 1.00 0.41 C ATOM 484 O ILE A 31 -3.493 -9.856 -7.276 1.00 0.42 O ATOM 485 CB ILE A 31 -3.156 -12.729 -6.017 1.00 0.36 C ATOM 486 CG1 ILE A 31 -2.628 -13.515 -4.798 1.00 0.38 C ATOM 487 CG2 ILE A 31 -3.278 -13.664 -7.231 1.00 0.30 C ATOM 488 CD1 ILE A 31 -3.707 -14.447 -4.253 1.00 0.25 C ATOM 0 H ILE A 31 -2.361 -11.205 -4.293 1.00 0.53 H new ATOM 0 HA ILE A 31 -1.216 -12.059 -6.707 1.00 0.44 H new ATOM 0 HB ILE A 31 -4.131 -12.308 -5.773 1.00 0.36 H new ATOM 0 HG12 ILE A 31 -1.750 -14.094 -5.084 1.00 0.38 H new ATOM 0 HG13 ILE A 31 -2.312 -12.821 -4.019 1.00 0.38 H new ATOM 0 HG21 ILE A 31 -3.986 -14.462 -7.006 1.00 0.30 H new ATOM 0 HG22 ILE A 31 -3.631 -13.097 -8.093 1.00 0.30 H new ATOM 0 HG23 ILE A 31 -2.303 -14.097 -7.456 1.00 0.30 H new ATOM 0 HD11 ILE A 31 -3.316 -14.993 -3.394 1.00 0.25 H new ATOM 0 HD12 ILE A 31 -4.574 -13.861 -3.947 1.00 0.25 H new ATOM 0 HD13 ILE A 31 -4.003 -15.154 -5.028 1.00 0.25 H new ATOM 500 N GLN A 32 -2.247 -10.997 -8.728 1.00 0.40 N ATOM 501 CA GLN A 32 -2.723 -10.171 -9.894 1.00 0.39 C ATOM 502 C GLN A 32 -3.646 -10.977 -10.811 1.00 0.32 C ATOM 503 O GLN A 32 -3.644 -12.190 -10.774 1.00 0.24 O ATOM 504 CB GLN A 32 -1.494 -9.726 -10.698 1.00 0.41 C ATOM 505 CG GLN A 32 -0.606 -8.839 -9.821 1.00 0.38 C ATOM 506 CD GLN A 32 -0.837 -7.369 -10.183 1.00 1.24 C ATOM 507 OE1 GLN A 32 0.039 -6.697 -10.691 1.00 2.12 O ATOM 508 NE2 GLN A 32 -2.000 -6.832 -9.938 1.00 2.57 N ATOM 0 H GLN A 32 -1.581 -11.734 -8.960 1.00 0.40 H new ATOM 0 HA GLN A 32 -3.283 -9.316 -9.514 1.00 0.39 H new ATOM 0 HB2 GLN A 32 -0.934 -10.597 -11.039 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -1.806 -9.180 -11.588 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -0.834 -9.006 -8.768 1.00 0.38 H new ATOM 0 HG3 GLN A 32 0.442 -9.100 -9.965 1.00 0.38 H new ATOM 0 HE21 GLN A 32 -2.740 -7.390 -9.512 1.00 2.57 H new ATOM 0 HE22 GLN A 32 -2.170 -5.854 -10.173 1.00 2.57 H new ATOM 517 N ASN A 33 -4.416 -10.293 -11.633 1.00 0.36 N ATOM 518 CA ASN A 33 -5.331 -11.033 -12.541 1.00 0.32 C ATOM 519 C ASN A 33 -6.191 -11.893 -11.658 1.00 0.33 C ATOM 520 O ASN A 33 -5.796 -12.967 -11.262 1.00 0.30 O ATOM 521 CB ASN A 33 -4.500 -11.903 -13.499 1.00 0.28 C ATOM 522 CG ASN A 33 -5.099 -11.827 -14.906 1.00 0.57 C ATOM 523 OD1 ASN A 33 -5.536 -10.785 -15.352 1.00 1.16 O ATOM 524 ND2 ASN A 33 -5.133 -12.908 -15.638 1.00 0.93 N ATOM 0 H ASN A 33 -4.445 -9.276 -11.707 1.00 0.36 H new ATOM 0 HA ASN A 33 -5.943 -10.362 -13.144 1.00 0.32 H new ATOM 0 HB2 ASN A 33 -3.465 -11.560 -13.514 1.00 0.28 H new ATOM 0 HB3 ASN A 33 -4.489 -12.936 -13.152 1.00 0.28 H new ATOM 0 HD21 ASN A 33 -5.525 -12.875 -16.579 1.00 0.93 H new ATOM 0 HD22 ASN A 33 -4.767 -13.786 -15.269 1.00 0.93 H new ATOM 531 N VAL A 34 -7.364 -11.415 -11.368 1.00 0.37 N ATOM 532 CA VAL A 34 -8.239 -12.220 -10.488 1.00 0.41 C ATOM 533 C VAL A 34 -9.717 -12.304 -10.874 1.00 0.58 C ATOM 534 O VAL A 34 -10.226 -11.514 -11.643 1.00 0.64 O ATOM 535 CB VAL A 34 -8.076 -11.545 -9.129 1.00 0.57 C ATOM 536 CG1 VAL A 34 -9.380 -10.922 -8.644 1.00 0.90 C ATOM 537 CG2 VAL A 34 -7.566 -12.572 -8.146 1.00 0.31 C ATOM 0 H VAL A 34 -7.745 -10.526 -11.693 1.00 0.37 H new ATOM 0 HA VAL A 34 -7.938 -13.267 -10.537 1.00 0.41 H new ATOM 0 HB VAL A 34 -7.361 -10.728 -9.219 1.00 0.57 H new ATOM 0 HG11 VAL A 34 -9.220 -10.452 -7.674 1.00 0.90 H new ATOM 0 HG12 VAL A 34 -9.713 -10.171 -9.360 1.00 0.90 H new ATOM 0 HG13 VAL A 34 -10.141 -11.697 -8.551 1.00 0.90 H new ATOM 0 HG21 VAL A 34 -7.443 -12.109 -7.167 1.00 0.31 H new ATOM 0 HG22 VAL A 34 -8.281 -13.391 -8.072 1.00 0.31 H new ATOM 0 HG23 VAL A 34 -6.606 -12.958 -8.488 1.00 0.31 H new ATOM 547 N GLU A 35 -10.362 -13.300 -10.295 1.00 0.67 N ATOM 548 CA GLU A 35 -11.813 -13.540 -10.551 1.00 0.88 C ATOM 549 C GLU A 35 -12.273 -14.849 -9.885 1.00 0.81 C ATOM 550 O GLU A 35 -11.673 -15.888 -10.079 1.00 0.93 O ATOM 551 CB GLU A 35 -12.042 -13.663 -12.060 1.00 1.03 C ATOM 552 CG GLU A 35 -12.936 -12.511 -12.523 1.00 1.46 C ATOM 553 CD GLU A 35 -13.112 -12.588 -14.039 1.00 1.84 C ATOM 554 OE1 GLU A 35 -12.177 -12.190 -14.714 1.00 1.89 O ATOM 555 OE2 GLU A 35 -14.171 -13.045 -14.435 1.00 2.18 O ATOM 0 H GLU A 35 -9.931 -13.961 -9.649 1.00 0.67 H new ATOM 0 HA GLU A 35 -12.380 -12.706 -10.138 1.00 0.88 H new ATOM 0 HB2 GLU A 35 -11.089 -13.636 -12.589 1.00 1.03 H new ATOM 0 HB3 GLU A 35 -12.509 -14.620 -12.293 1.00 1.03 H new ATOM 0 HG2 GLU A 35 -13.906 -12.567 -12.029 1.00 1.46 H new ATOM 0 HG3 GLU A 35 -12.491 -11.556 -12.245 1.00 1.46 H new ATOM 562 N LYS A 36 -13.331 -14.771 -9.114 1.00 0.61 N ATOM 563 CA LYS A 36 -13.851 -15.998 -8.425 1.00 0.54 C ATOM 564 C LYS A 36 -14.038 -17.142 -9.421 1.00 0.53 C ATOM 565 O LYS A 36 -13.897 -16.958 -10.613 1.00 0.63 O ATOM 566 CB LYS A 36 -15.216 -15.662 -7.784 1.00 0.45 C ATOM 567 CG LYS A 36 -15.107 -14.401 -6.902 1.00 1.21 C ATOM 568 CD LYS A 36 -16.364 -13.527 -7.045 1.00 0.50 C ATOM 569 CE LYS A 36 -16.135 -12.474 -8.132 1.00 1.19 C ATOM 570 NZ LYS A 36 -15.648 -13.109 -9.388 1.00 2.12 N ATOM 0 H LYS A 36 -13.856 -13.916 -8.932 1.00 0.61 H new ATOM 0 HA LYS A 36 -13.133 -16.310 -7.667 1.00 0.54 H new ATOM 0 HB2 LYS A 36 -15.961 -15.503 -8.564 1.00 0.45 H new ATOM 0 HB3 LYS A 36 -15.559 -16.504 -7.183 1.00 0.45 H new ATOM 0 HG2 LYS A 36 -14.976 -14.691 -5.859 1.00 1.21 H new ATOM 0 HG3 LYS A 36 -14.225 -13.827 -7.187 1.00 1.21 H new ATOM 0 HD2 LYS A 36 -17.223 -14.147 -7.300 1.00 0.50 H new ATOM 0 HD3 LYS A 36 -16.592 -13.041 -6.096 1.00 0.50 H new ATOM 0 HE2 LYS A 36 -17.064 -11.938 -8.327 1.00 1.19 H new ATOM 0 HE3 LYS A 36 -15.409 -11.739 -7.785 1.00 1.19 H new ATOM 0 HZ1 LYS A 36 -16.140 -12.689 -10.203 1.00 2.12 H new ATOM 0 HZ2 LYS A 36 -14.624 -12.951 -9.483 1.00 2.12 H new ATOM 0 HZ3 LYS A 36 -15.839 -14.131 -9.357 1.00 2.12 H new ATOM 584 N GLN A 37 -14.351 -18.309 -8.910 1.00 0.57 N ATOM 585 CA GLN A 37 -14.549 -19.479 -9.813 1.00 0.54 C ATOM 586 C GLN A 37 -14.996 -20.716 -9.028 1.00 0.57 C ATOM 587 O GLN A 37 -15.000 -20.727 -7.812 1.00 0.72 O ATOM 588 CB GLN A 37 -13.189 -19.809 -10.476 1.00 0.56 C ATOM 589 CG GLN A 37 -13.378 -20.192 -11.950 1.00 1.11 C ATOM 590 CD GLN A 37 -13.169 -18.952 -12.821 1.00 1.82 C ATOM 591 OE1 GLN A 37 -12.167 -18.815 -13.496 1.00 2.00 O ATOM 592 NE2 GLN A 37 -14.087 -18.030 -12.834 1.00 3.52 N ATOM 0 H GLN A 37 -14.476 -18.498 -7.915 1.00 0.57 H new ATOM 0 HA GLN A 37 -15.314 -19.228 -10.547 1.00 0.54 H new ATOM 0 HB2 GLN A 37 -12.525 -18.948 -10.402 1.00 0.56 H new ATOM 0 HB3 GLN A 37 -12.709 -20.629 -9.942 1.00 0.56 H new ATOM 0 HG2 GLN A 37 -12.669 -20.972 -12.230 1.00 1.11 H new ATOM 0 HG3 GLN A 37 -14.377 -20.598 -12.108 1.00 1.11 H new ATOM 0 HE21 GLN A 37 -14.929 -18.141 -12.269 1.00 3.52 H new ATOM 0 HE22 GLN A 37 -13.964 -17.196 -13.409 1.00 3.52 H new ATOM 601 N GLU A 38 -15.355 -21.735 -9.761 1.00 0.74 N ATOM 602 CA GLU A 38 -15.813 -23.010 -9.140 1.00 0.99 C ATOM 603 C GLU A 38 -16.750 -22.794 -7.960 1.00 0.70 C ATOM 604 O GLU A 38 -17.007 -23.703 -7.194 1.00 0.83 O ATOM 605 CB GLU A 38 -14.579 -23.785 -8.672 1.00 1.36 C ATOM 606 CG GLU A 38 -13.977 -24.541 -9.862 1.00 1.92 C ATOM 607 CD GLU A 38 -12.817 -25.412 -9.377 1.00 4.27 C ATOM 608 OE1 GLU A 38 -13.115 -26.474 -8.859 1.00 5.40 O ATOM 609 OE2 GLU A 38 -11.695 -24.965 -9.554 1.00 5.40 O ATOM 0 H GLU A 38 -15.350 -21.737 -10.781 1.00 0.74 H new ATOM 0 HA GLU A 38 -16.376 -23.565 -9.891 1.00 0.99 H new ATOM 0 HB2 GLU A 38 -13.843 -23.100 -8.251 1.00 1.36 H new ATOM 0 HB3 GLU A 38 -14.852 -24.485 -7.882 1.00 1.36 H new ATOM 0 HG2 GLU A 38 -14.738 -25.161 -10.336 1.00 1.92 H new ATOM 0 HG3 GLU A 38 -13.626 -23.836 -10.615 1.00 1.92 H new ATOM 616 N GLY A 39 -17.242 -21.604 -7.839 1.00 0.40 N ATOM 617 CA GLY A 39 -18.175 -21.309 -6.713 1.00 0.39 C ATOM 618 C GLY A 39 -17.468 -20.696 -5.498 1.00 1.12 C ATOM 619 O GLY A 39 -17.606 -21.193 -4.397 1.00 3.35 O ATOM 0 H GLY A 39 -17.045 -20.821 -8.463 1.00 0.40 H new ATOM 0 HA2 GLY A 39 -18.950 -20.625 -7.059 1.00 0.39 H new ATOM 0 HA3 GLY A 39 -18.674 -22.230 -6.411 1.00 0.39 H new ATOM 623 N GLY A 40 -16.722 -19.642 -5.716 1.00 0.77 N ATOM 624 CA GLY A 40 -16.011 -18.994 -4.570 1.00 0.26 C ATOM 625 C GLY A 40 -14.509 -19.284 -4.554 1.00 0.22 C ATOM 626 O GLY A 40 -13.937 -19.472 -3.500 1.00 0.28 O ATOM 0 H GLY A 40 -16.575 -19.206 -6.626 1.00 0.77 H new ATOM 0 HA2 GLY A 40 -16.166 -17.916 -4.617 1.00 0.26 H new ATOM 0 HA3 GLY A 40 -16.452 -19.339 -3.635 1.00 0.26 H new ATOM 630 N TRP A 41 -13.898 -19.321 -5.709 1.00 0.21 N ATOM 631 CA TRP A 41 -12.433 -19.593 -5.761 1.00 0.21 C ATOM 632 C TRP A 41 -11.816 -18.599 -6.719 1.00 0.25 C ATOM 633 O TRP A 41 -12.300 -18.406 -7.806 1.00 0.36 O ATOM 634 CB TRP A 41 -12.219 -21.062 -6.131 1.00 0.20 C ATOM 635 CG TRP A 41 -12.825 -21.813 -4.946 1.00 0.15 C ATOM 636 CD1 TRP A 41 -14.147 -22.015 -4.807 1.00 0.15 C ATOM 637 CD2 TRP A 41 -12.235 -21.935 -3.742 1.00 0.16 C ATOM 638 NE1 TRP A 41 -14.312 -22.213 -3.498 1.00 0.17 N ATOM 639 CE2 TRP A 41 -13.178 -22.168 -2.759 1.00 0.17 C ATOM 640 CE3 TRP A 41 -10.901 -21.835 -3.399 1.00 0.17 C ATOM 641 CZ2 TRP A 41 -12.793 -22.261 -1.432 1.00 0.20 C ATOM 642 CZ3 TRP A 41 -10.514 -21.944 -2.078 1.00 0.20 C ATOM 643 CH2 TRP A 41 -11.462 -22.149 -1.085 1.00 0.21 C ATOM 0 H TRP A 41 -14.347 -19.175 -6.613 1.00 0.21 H new ATOM 0 HA TRP A 41 -11.936 -19.455 -4.801 1.00 0.21 H new ATOM 0 HB2 TRP A 41 -12.716 -21.318 -7.067 1.00 0.20 H new ATOM 0 HB3 TRP A 41 -11.162 -21.295 -6.257 1.00 0.20 H new ATOM 0 HD1 TRP A 41 -14.903 -22.017 -5.579 1.00 0.15 H new ATOM 0 HE1 TRP A 41 -15.228 -22.386 -3.083 1.00 0.17 H new ATOM 0 HE3 TRP A 41 -10.159 -21.671 -4.166 1.00 0.17 H new ATOM 0 HZ2 TRP A 41 -13.537 -22.422 -0.666 1.00 0.20 H new ATOM 0 HZ3 TRP A 41 -9.469 -21.869 -1.816 1.00 0.20 H new ATOM 0 HH2 TRP A 41 -11.161 -22.220 -0.050 1.00 0.21 H new ATOM 654 N TRP A 42 -10.753 -17.988 -6.285 1.00 0.20 N ATOM 655 CA TRP A 42 -10.069 -16.973 -7.126 1.00 0.27 C ATOM 656 C TRP A 42 -8.766 -17.423 -7.778 1.00 0.27 C ATOM 657 O TRP A 42 -8.025 -18.172 -7.199 1.00 0.51 O ATOM 658 CB TRP A 42 -9.679 -15.873 -6.155 1.00 0.28 C ATOM 659 CG TRP A 42 -10.932 -15.251 -5.578 1.00 0.25 C ATOM 660 CD1 TRP A 42 -11.958 -15.968 -5.100 1.00 0.29 C ATOM 661 CD2 TRP A 42 -11.245 -13.966 -5.626 1.00 0.19 C ATOM 662 NE1 TRP A 42 -12.894 -15.057 -4.920 1.00 0.25 N ATOM 663 CE2 TRP A 42 -12.544 -13.798 -5.204 1.00 0.20 C ATOM 664 CE3 TRP A 42 -10.479 -12.865 -5.932 1.00 0.17 C ATOM 665 CZ2 TRP A 42 -13.098 -12.557 -5.099 1.00 0.22 C ATOM 666 CZ3 TRP A 42 -11.040 -11.603 -5.814 1.00 0.23 C ATOM 667 CH2 TRP A 42 -12.350 -11.454 -5.404 1.00 0.27 C ATOM 0 H TRP A 42 -10.325 -18.151 -5.374 1.00 0.20 H new ATOM 0 HA TRP A 42 -10.747 -16.708 -7.937 1.00 0.27 H new ATOM 0 HB2 TRP A 42 -9.059 -16.280 -5.356 1.00 0.28 H new ATOM 0 HB3 TRP A 42 -9.084 -15.115 -6.665 1.00 0.28 H new ATOM 0 HD1 TRP A 42 -12.006 -17.030 -4.909 1.00 0.29 H new ATOM 0 HE1 TRP A 42 -13.827 -15.298 -4.585 1.00 0.25 H new ATOM 0 HE3 TRP A 42 -9.456 -12.982 -6.259 1.00 0.17 H new ATOM 0 HZ2 TRP A 42 -14.123 -12.446 -4.776 1.00 0.22 H new ATOM 0 HZ3 TRP A 42 -10.448 -10.730 -6.045 1.00 0.23 H new ATOM 0 HH2 TRP A 42 -12.783 -10.468 -5.324 1.00 0.27 H new ATOM 678 N ARG A 43 -8.498 -16.895 -8.954 1.00 0.09 N ATOM 679 CA ARG A 43 -7.241 -17.265 -9.673 1.00 0.10 C ATOM 680 C ARG A 43 -6.355 -16.027 -9.807 1.00 0.08 C ATOM 681 O ARG A 43 -6.766 -14.948 -9.460 1.00 0.10 O ATOM 682 CB ARG A 43 -7.571 -17.754 -11.077 1.00 0.16 C ATOM 683 CG ARG A 43 -7.052 -19.184 -11.243 1.00 0.14 C ATOM 684 CD ARG A 43 -7.512 -19.742 -12.592 1.00 0.31 C ATOM 685 NE ARG A 43 -6.960 -21.117 -12.759 1.00 0.34 N ATOM 686 CZ ARG A 43 -6.293 -21.415 -13.842 1.00 1.23 C ATOM 687 NH1 ARG A 43 -6.822 -21.145 -15.003 1.00 1.64 N ATOM 688 NH2 ARG A 43 -5.122 -21.981 -13.725 1.00 1.88 N ATOM 0 H ARG A 43 -9.096 -16.227 -9.441 1.00 0.09 H new ATOM 0 HA ARG A 43 -6.733 -18.048 -9.111 1.00 0.10 H new ATOM 0 HB2 ARG A 43 -8.648 -17.723 -11.243 1.00 0.16 H new ATOM 0 HB3 ARG A 43 -7.115 -17.100 -11.820 1.00 0.16 H new ATOM 0 HG2 ARG A 43 -5.964 -19.196 -11.185 1.00 0.14 H new ATOM 0 HG3 ARG A 43 -7.421 -19.812 -10.433 1.00 0.14 H new ATOM 0 HD2 ARG A 43 -8.601 -19.765 -12.639 1.00 0.31 H new ATOM 0 HD3 ARG A 43 -7.171 -19.098 -13.403 1.00 0.31 H new ATOM 0 HE ARG A 43 -7.102 -21.820 -12.033 1.00 0.34 H new ATOM 0 HH11 ARG A 43 -7.742 -20.708 -15.055 1.00 1.64 H new ATOM 0 HH12 ARG A 43 -6.316 -21.371 -15.859 1.00 1.64 H new ATOM 0 HH21 ARG A 43 -4.743 -22.183 -12.800 1.00 1.88 H new ATOM 0 HH22 ARG A 43 -4.586 -22.221 -14.559 1.00 1.88 H new ATOM 702 N GLY A 44 -5.151 -16.202 -10.295 1.00 0.13 N ATOM 703 CA GLY A 44 -4.228 -15.036 -10.451 1.00 0.11 C ATOM 704 C GLY A 44 -2.788 -15.423 -10.059 1.00 0.11 C ATOM 705 O GLY A 44 -2.565 -16.233 -9.183 1.00 0.13 O ATOM 0 H GLY A 44 -4.769 -17.100 -10.591 1.00 0.13 H new ATOM 0 HA2 GLY A 44 -4.247 -14.686 -11.483 1.00 0.11 H new ATOM 0 HA3 GLY A 44 -4.570 -14.210 -9.828 1.00 0.11 H new ATOM 709 N ASP A 45 -1.855 -14.824 -10.737 1.00 0.11 N ATOM 710 CA ASP A 45 -0.403 -15.096 -10.472 1.00 0.15 C ATOM 711 C ASP A 45 0.052 -14.626 -9.082 1.00 0.17 C ATOM 712 O ASP A 45 -0.434 -13.640 -8.565 1.00 0.26 O ATOM 713 CB ASP A 45 0.414 -14.319 -11.520 1.00 0.18 C ATOM 714 CG ASP A 45 -0.520 -13.826 -12.630 1.00 2.63 C ATOM 715 OD1 ASP A 45 -1.161 -14.682 -13.218 1.00 3.94 O ATOM 716 OD2 ASP A 45 -0.543 -12.621 -12.825 1.00 3.85 O ATOM 0 H ASP A 45 -2.031 -14.145 -11.477 1.00 0.11 H new ATOM 0 HA ASP A 45 -0.250 -16.174 -10.524 1.00 0.15 H new ATOM 0 HB2 ASP A 45 0.917 -13.474 -11.051 1.00 0.18 H new ATOM 0 HB3 ASP A 45 1.190 -14.959 -11.940 1.00 0.18 H new ATOM 721 N TYR A 46 0.999 -15.339 -8.512 1.00 0.26 N ATOM 722 CA TYR A 46 1.505 -14.951 -7.161 1.00 0.25 C ATOM 723 C TYR A 46 2.953 -15.395 -6.957 1.00 0.16 C ATOM 724 O TYR A 46 3.226 -16.318 -6.215 1.00 0.64 O ATOM 725 CB TYR A 46 0.640 -15.607 -6.067 1.00 0.36 C ATOM 726 CG TYR A 46 1.065 -15.012 -4.716 1.00 0.43 C ATOM 727 CD1 TYR A 46 1.113 -13.638 -4.557 1.00 0.45 C ATOM 728 CD2 TYR A 46 1.584 -15.813 -3.701 1.00 0.50 C ATOM 729 CE1 TYR A 46 1.682 -13.081 -3.453 1.00 0.53 C ATOM 730 CE2 TYR A 46 2.154 -15.239 -2.592 1.00 0.58 C ATOM 731 CZ TYR A 46 2.210 -13.871 -2.455 1.00 0.60 C ATOM 732 OH TYR A 46 2.785 -13.301 -1.338 1.00 0.70 O ATOM 0 H TYR A 46 1.437 -16.164 -8.922 1.00 0.26 H new ATOM 0 HA TYR A 46 1.452 -13.864 -7.093 1.00 0.25 H new ATOM 0 HB2 TYR A 46 -0.418 -15.419 -6.252 1.00 0.36 H new ATOM 0 HB3 TYR A 46 0.777 -16.688 -6.069 1.00 0.36 H new ATOM 0 HD1 TYR A 46 0.693 -12.999 -5.320 1.00 0.45 H new ATOM 0 HD2 TYR A 46 1.538 -16.889 -3.787 1.00 0.50 H new ATOM 0 HE1 TYR A 46 1.720 -12.006 -3.358 1.00 0.53 H new ATOM 0 HE2 TYR A 46 2.564 -15.869 -1.817 1.00 0.58 H new ATOM 0 HH TYR A 46 3.104 -14.007 -0.738 1.00 0.70 H new ATOM 742 N GLY A 47 3.852 -14.721 -7.621 1.00 0.53 N ATOM 743 CA GLY A 47 5.293 -15.084 -7.479 1.00 0.73 C ATOM 744 C GLY A 47 5.715 -16.111 -8.533 1.00 0.48 C ATOM 745 O GLY A 47 5.849 -17.280 -8.242 1.00 2.32 O ATOM 0 H GLY A 47 3.655 -13.942 -8.250 1.00 0.53 H new ATOM 0 HA2 GLY A 47 5.907 -14.188 -7.575 1.00 0.73 H new ATOM 0 HA3 GLY A 47 5.472 -15.488 -6.483 1.00 0.73 H new ATOM 749 N GLY A 48 5.931 -15.646 -9.735 1.00 2.03 N ATOM 750 CA GLY A 48 6.349 -16.581 -10.818 1.00 1.73 C ATOM 751 C GLY A 48 5.161 -17.417 -11.297 1.00 1.54 C ATOM 752 O GLY A 48 4.781 -17.354 -12.449 1.00 2.14 O ATOM 0 H GLY A 48 5.837 -14.669 -10.011 1.00 2.03 H new ATOM 0 HA2 GLY A 48 6.763 -16.016 -11.653 1.00 1.73 H new ATOM 0 HA3 GLY A 48 7.139 -17.238 -10.454 1.00 1.73 H new ATOM 756 N LYS A 49 4.600 -18.184 -10.401 1.00 0.79 N ATOM 757 CA LYS A 49 3.438 -19.026 -10.794 1.00 0.62 C ATOM 758 C LYS A 49 2.458 -18.203 -11.609 1.00 0.47 C ATOM 759 O LYS A 49 2.583 -16.997 -11.680 1.00 0.61 O ATOM 760 CB LYS A 49 2.699 -19.505 -9.537 1.00 0.87 C ATOM 761 CG LYS A 49 3.697 -19.793 -8.409 1.00 2.18 C ATOM 762 CD LYS A 49 4.796 -20.737 -8.918 1.00 3.10 C ATOM 763 CE LYS A 49 5.614 -21.248 -7.732 1.00 4.15 C ATOM 764 NZ LYS A 49 7.013 -21.541 -8.161 1.00 4.34 N ATOM 0 H LYS A 49 4.892 -18.263 -9.427 1.00 0.79 H new ATOM 0 HA LYS A 49 3.806 -19.872 -11.374 1.00 0.62 H new ATOM 0 HB2 LYS A 49 1.985 -18.746 -9.215 1.00 0.87 H new ATOM 0 HB3 LYS A 49 2.127 -20.405 -9.764 1.00 0.87 H new ATOM 0 HG2 LYS A 49 4.139 -18.862 -8.055 1.00 2.18 H new ATOM 0 HG3 LYS A 49 3.182 -20.243 -7.561 1.00 2.18 H new ATOM 0 HD2 LYS A 49 4.351 -21.575 -9.455 1.00 3.10 H new ATOM 0 HD3 LYS A 49 5.443 -20.214 -9.622 1.00 3.10 H new ATOM 0 HE2 LYS A 49 5.618 -20.504 -6.936 1.00 4.15 H new ATOM 0 HE3 LYS A 49 5.154 -22.148 -7.324 1.00 4.15 H new ATOM 0 HZ1 LYS A 49 7.613 -21.674 -7.322 1.00 4.34 H new ATOM 0 HZ2 LYS A 49 7.026 -22.408 -8.736 1.00 4.34 H new ATOM 0 HZ3 LYS A 49 7.377 -20.746 -8.725 1.00 4.34 H new ATOM 778 N LYS A 50 1.500 -18.860 -12.206 1.00 0.25 N ATOM 779 CA LYS A 50 0.524 -18.099 -13.005 1.00 0.27 C ATOM 780 C LYS A 50 -0.885 -18.656 -12.894 1.00 0.24 C ATOM 781 O LYS A 50 -1.191 -19.721 -13.394 1.00 0.51 O ATOM 782 CB LYS A 50 0.930 -18.112 -14.478 1.00 0.36 C ATOM 783 CG LYS A 50 0.424 -16.810 -15.122 1.00 0.47 C ATOM 784 CD LYS A 50 0.054 -17.033 -16.598 1.00 0.58 C ATOM 785 CE LYS A 50 1.325 -17.107 -17.450 1.00 2.01 C ATOM 786 NZ LYS A 50 2.249 -18.158 -16.940 1.00 3.34 N ATOM 0 H LYS A 50 1.360 -19.870 -12.172 1.00 0.25 H new ATOM 0 HA LYS A 50 0.523 -17.084 -12.608 1.00 0.27 H new ATOM 0 HB2 LYS A 50 2.013 -18.189 -14.574 1.00 0.36 H new ATOM 0 HB3 LYS A 50 0.503 -18.978 -14.983 1.00 0.36 H new ATOM 0 HG2 LYS A 50 -0.446 -16.444 -14.576 1.00 0.47 H new ATOM 0 HG3 LYS A 50 1.193 -16.041 -15.048 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -0.518 -17.955 -16.703 1.00 0.58 H new ATOM 0 HD3 LYS A 50 -0.582 -16.221 -16.949 1.00 0.58 H new ATOM 0 HE2 LYS A 50 1.061 -17.321 -18.486 1.00 2.01 H new ATOM 0 HE3 LYS A 50 1.829 -16.140 -17.443 1.00 2.01 H new ATOM 0 HZ1 LYS A 50 2.861 -18.487 -17.714 1.00 3.34 H new ATOM 0 HZ2 LYS A 50 2.837 -17.764 -16.178 1.00 3.34 H new ATOM 0 HZ3 LYS A 50 1.696 -18.958 -16.572 1.00 3.34 H new ATOM 800 N GLN A 51 -1.683 -17.915 -12.189 1.00 0.35 N ATOM 801 CA GLN A 51 -3.110 -18.283 -11.967 1.00 0.28 C ATOM 802 C GLN A 51 -3.324 -19.565 -11.178 1.00 0.18 C ATOM 803 O GLN A 51 -3.710 -20.582 -11.723 1.00 0.31 O ATOM 804 CB GLN A 51 -3.834 -18.411 -13.326 1.00 0.39 C ATOM 805 CG GLN A 51 -4.296 -17.029 -13.804 1.00 1.37 C ATOM 806 CD GLN A 51 -4.038 -16.904 -15.305 1.00 0.80 C ATOM 807 OE1 GLN A 51 -4.765 -17.441 -16.119 1.00 1.00 O ATOM 808 NE2 GLN A 51 -3.018 -16.203 -15.715 1.00 2.45 N ATOM 0 H GLN A 51 -1.401 -17.043 -11.742 1.00 0.35 H new ATOM 0 HA GLN A 51 -3.524 -17.476 -11.362 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -3.166 -18.856 -14.063 1.00 0.39 H new ATOM 0 HB3 GLN A 51 -4.691 -19.077 -13.230 1.00 0.39 H new ATOM 0 HG2 GLN A 51 -5.357 -16.894 -13.593 1.00 1.37 H new ATOM 0 HG3 GLN A 51 -3.761 -16.247 -13.265 1.00 1.37 H new ATOM 0 HE21 GLN A 51 -2.405 -15.750 -15.037 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -2.833 -16.107 -16.714 1.00 2.45 H new ATOM 817 N LEU A 52 -3.066 -19.485 -9.904 1.00 0.18 N ATOM 818 CA LEU A 52 -3.252 -20.672 -9.041 1.00 0.30 C ATOM 819 C LEU A 52 -4.632 -20.509 -8.404 1.00 0.31 C ATOM 820 O LEU A 52 -5.544 -20.113 -9.097 1.00 0.59 O ATOM 821 CB LEU A 52 -2.130 -20.710 -7.967 1.00 0.48 C ATOM 822 CG LEU A 52 -0.728 -21.044 -8.582 1.00 0.25 C ATOM 823 CD1 LEU A 52 0.041 -21.985 -7.638 1.00 0.28 C ATOM 824 CD2 LEU A 52 -0.806 -21.730 -9.959 1.00 0.26 C ATOM 0 H LEU A 52 -2.734 -18.647 -9.427 1.00 0.18 H new ATOM 0 HA LEU A 52 -3.194 -21.608 -9.596 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -2.082 -19.746 -7.461 1.00 0.48 H new ATOM 0 HB3 LEU A 52 -2.379 -21.455 -7.211 1.00 0.48 H new ATOM 0 HG LEU A 52 -0.222 -20.087 -8.709 1.00 0.25 H new ATOM 0 HD11 LEU A 52 1.016 -22.215 -8.068 1.00 0.28 H new ATOM 0 HD12 LEU A 52 0.177 -21.500 -6.672 1.00 0.28 H new ATOM 0 HD13 LEU A 52 -0.524 -22.908 -7.504 1.00 0.28 H new ATOM 0 HD21 LEU A 52 0.202 -21.931 -10.323 1.00 0.26 H new ATOM 0 HD22 LEU A 52 -1.353 -22.668 -9.868 1.00 0.26 H new ATOM 0 HD23 LEU A 52 -1.322 -21.077 -10.662 1.00 0.26 H new ATOM 836 N TRP A 53 -4.793 -20.797 -7.139 1.00 0.09 N ATOM 837 CA TRP A 53 -6.166 -20.622 -6.561 1.00 0.08 C ATOM 838 C TRP A 53 -6.186 -20.083 -5.149 1.00 0.08 C ATOM 839 O TRP A 53 -5.310 -20.351 -4.357 1.00 0.06 O ATOM 840 CB TRP A 53 -6.859 -21.974 -6.514 1.00 0.10 C ATOM 841 CG TRP A 53 -7.324 -22.306 -7.918 1.00 0.21 C ATOM 842 CD1 TRP A 53 -6.744 -23.229 -8.673 1.00 0.31 C ATOM 843 CD2 TRP A 53 -8.280 -21.671 -8.600 1.00 0.27 C ATOM 844 NE1 TRP A 53 -7.384 -23.131 -9.841 1.00 0.35 N ATOM 845 CE2 TRP A 53 -8.355 -22.182 -9.885 1.00 0.32 C ATOM 846 CE3 TRP A 53 -9.096 -20.616 -8.232 1.00 0.32 C ATOM 847 CZ2 TRP A 53 -9.241 -21.639 -10.795 1.00 0.35 C ATOM 848 CZ3 TRP A 53 -9.973 -20.070 -9.153 1.00 0.38 C ATOM 849 CH2 TRP A 53 -10.044 -20.586 -10.432 1.00 0.38 C ATOM 0 H TRP A 53 -4.071 -21.132 -6.501 1.00 0.09 H new ATOM 0 HA TRP A 53 -6.663 -19.898 -7.207 1.00 0.08 H new ATOM 0 HB2 TRP A 53 -6.177 -22.740 -6.147 1.00 0.10 H new ATOM 0 HB3 TRP A 53 -7.706 -21.946 -5.828 1.00 0.10 H new ATOM 0 HD1 TRP A 53 -5.942 -23.902 -8.406 1.00 0.31 H new ATOM 0 HE1 TRP A 53 -7.161 -23.724 -10.640 1.00 0.35 H new ATOM 0 HE3 TRP A 53 -9.049 -20.220 -7.229 1.00 0.32 H new ATOM 0 HZ2 TRP A 53 -9.302 -22.044 -11.794 1.00 0.35 H new ATOM 0 HZ3 TRP A 53 -10.603 -19.239 -8.871 1.00 0.38 H new ATOM 0 HH2 TRP A 53 -10.732 -20.161 -11.148 1.00 0.38 H new ATOM 860 N PHE A 54 -7.179 -19.283 -4.881 1.00 0.09 N ATOM 861 CA PHE A 54 -7.303 -18.709 -3.528 1.00 0.09 C ATOM 862 C PHE A 54 -8.800 -18.555 -3.189 1.00 0.06 C ATOM 863 O PHE A 54 -9.551 -18.034 -3.972 1.00 0.03 O ATOM 864 CB PHE A 54 -6.658 -17.306 -3.428 1.00 0.11 C ATOM 865 CG PHE A 54 -6.043 -16.865 -4.728 1.00 0.13 C ATOM 866 CD1 PHE A 54 -4.961 -17.531 -5.245 1.00 0.14 C ATOM 867 CD2 PHE A 54 -6.605 -15.829 -5.434 1.00 0.12 C ATOM 868 CE1 PHE A 54 -4.459 -17.184 -6.462 1.00 0.15 C ATOM 869 CE2 PHE A 54 -6.118 -15.483 -6.638 1.00 0.16 C ATOM 870 CZ PHE A 54 -5.031 -16.163 -7.167 1.00 0.17 C ATOM 0 H PHE A 54 -7.904 -19.007 -5.543 1.00 0.09 H new ATOM 0 HA PHE A 54 -6.792 -19.381 -2.839 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -7.414 -16.582 -3.122 1.00 0.11 H new ATOM 0 HB3 PHE A 54 -5.893 -17.315 -2.652 1.00 0.11 H new ATOM 0 HD1 PHE A 54 -4.505 -18.334 -4.684 1.00 0.14 H new ATOM 0 HD2 PHE A 54 -7.443 -15.289 -5.019 1.00 0.12 H new ATOM 0 HE1 PHE A 54 -3.611 -17.714 -6.869 1.00 0.15 H new ATOM 0 HE2 PHE A 54 -6.573 -14.676 -7.193 1.00 0.16 H new ATOM 0 HZ PHE A 54 -4.638 -15.886 -8.134 1.00 0.17 H new ATOM 880 N PRO A 55 -9.214 -19.001 -2.036 1.00 0.09 N ATOM 881 CA PRO A 55 -10.630 -18.898 -1.625 1.00 0.12 C ATOM 882 C PRO A 55 -11.214 -17.501 -1.736 1.00 0.12 C ATOM 883 O PRO A 55 -10.528 -16.507 -1.609 1.00 0.10 O ATOM 884 CB PRO A 55 -10.605 -19.246 -0.150 1.00 0.18 C ATOM 885 CG PRO A 55 -9.229 -19.905 0.153 1.00 0.20 C ATOM 886 CD PRO A 55 -8.328 -19.614 -1.029 1.00 0.15 C ATOM 0 HA PRO A 55 -11.237 -19.537 -2.266 1.00 0.12 H new ATOM 0 HB2 PRO A 55 -10.743 -18.351 0.457 1.00 0.18 H new ATOM 0 HB3 PRO A 55 -11.419 -19.928 0.097 1.00 0.18 H new ATOM 0 HG2 PRO A 55 -8.802 -19.502 1.071 1.00 0.20 H new ATOM 0 HG3 PRO A 55 -9.340 -20.980 0.298 1.00 0.20 H new ATOM 0 HD2 PRO A 55 -7.518 -18.940 -0.752 1.00 0.15 H new ATOM 0 HD3 PRO A 55 -7.868 -20.526 -1.410 1.00 0.15 H new ATOM 894 N SER A 56 -12.492 -17.476 -1.981 1.00 0.21 N ATOM 895 CA SER A 56 -13.205 -16.192 -2.104 1.00 0.27 C ATOM 896 C SER A 56 -13.679 -15.916 -0.698 1.00 0.34 C ATOM 897 O SER A 56 -14.418 -14.995 -0.417 1.00 0.41 O ATOM 898 CB SER A 56 -14.422 -16.367 -3.015 1.00 0.38 C ATOM 899 OG SER A 56 -15.297 -17.200 -2.266 1.00 0.44 O ATOM 0 H SER A 56 -13.074 -18.305 -2.102 1.00 0.21 H new ATOM 0 HA SER A 56 -12.586 -15.397 -2.520 1.00 0.27 H new ATOM 0 HB2 SER A 56 -14.886 -15.409 -3.249 1.00 0.38 H new ATOM 0 HB3 SER A 56 -14.147 -16.828 -3.964 1.00 0.38 H new ATOM 0 HG SER A 56 -16.226 -16.994 -2.501 1.00 0.44 H new ATOM 905 N ASN A 57 -13.196 -16.779 0.156 1.00 0.36 N ATOM 906 CA ASN A 57 -13.511 -16.722 1.581 1.00 0.49 C ATOM 907 C ASN A 57 -12.283 -16.180 2.269 1.00 0.54 C ATOM 908 O ASN A 57 -12.319 -15.776 3.413 1.00 0.74 O ATOM 909 CB ASN A 57 -13.763 -18.168 2.066 1.00 0.48 C ATOM 910 CG ASN A 57 -15.241 -18.332 2.429 1.00 0.52 C ATOM 911 OD1 ASN A 57 -15.613 -18.315 3.586 1.00 1.64 O ATOM 912 ND2 ASN A 57 -16.114 -18.496 1.473 1.00 2.71 N ATOM 0 H ASN A 57 -12.573 -17.544 -0.104 1.00 0.36 H new ATOM 0 HA ASN A 57 -14.384 -16.103 1.788 1.00 0.49 H new ATOM 0 HB2 ASN A 57 -13.488 -18.878 1.286 1.00 0.48 H new ATOM 0 HB3 ASN A 57 -13.138 -18.387 2.932 1.00 0.48 H new ATOM 0 HD21 ASN A 57 -17.102 -18.609 1.699 1.00 2.71 H new ATOM 0 HD22 ASN A 57 -15.808 -18.511 0.500 1.00 2.71 H new ATOM 919 N TYR A 58 -11.208 -16.189 1.517 1.00 0.39 N ATOM 920 CA TYR A 58 -9.930 -15.687 2.062 1.00 0.47 C ATOM 921 C TYR A 58 -9.526 -14.341 1.442 1.00 0.58 C ATOM 922 O TYR A 58 -9.152 -13.423 2.145 1.00 1.45 O ATOM 923 CB TYR A 58 -8.818 -16.704 1.765 1.00 0.43 C ATOM 924 CG TYR A 58 -8.779 -17.801 2.854 1.00 0.36 C ATOM 925 CD1 TYR A 58 -9.859 -18.677 3.070 1.00 0.39 C ATOM 926 CD2 TYR A 58 -7.663 -17.913 3.662 1.00 0.29 C ATOM 927 CE1 TYR A 58 -9.802 -19.610 4.085 1.00 0.35 C ATOM 928 CE2 TYR A 58 -7.624 -18.858 4.673 1.00 0.30 C ATOM 929 CZ TYR A 58 -8.689 -19.707 4.890 1.00 0.32 C ATOM 930 OH TYR A 58 -8.644 -20.643 5.903 1.00 0.36 O ATOM 0 H TYR A 58 -11.171 -16.523 0.554 1.00 0.39 H new ATOM 0 HA TYR A 58 -10.065 -15.547 3.135 1.00 0.47 H new ATOM 0 HB2 TYR A 58 -8.985 -17.159 0.789 1.00 0.43 H new ATOM 0 HB3 TYR A 58 -7.855 -16.195 1.719 1.00 0.43 H new ATOM 0 HD1 TYR A 58 -10.734 -18.619 2.440 1.00 0.39 H new ATOM 0 HD2 TYR A 58 -6.817 -17.260 3.504 1.00 0.29 H new ATOM 0 HE1 TYR A 58 -10.640 -20.272 4.250 1.00 0.35 H new ATOM 0 HE2 TYR A 58 -6.748 -18.931 5.300 1.00 0.30 H new ATOM 0 HH TYR A 58 -7.786 -20.576 6.372 1.00 0.36 H new ATOM 940 N VAL A 59 -9.607 -14.247 0.139 1.00 0.28 N ATOM 941 CA VAL A 59 -9.228 -12.966 -0.527 1.00 0.19 C ATOM 942 C VAL A 59 -10.432 -12.086 -0.821 1.00 0.41 C ATOM 943 O VAL A 59 -11.561 -12.530 -0.784 1.00 0.92 O ATOM 944 CB VAL A 59 -8.568 -13.295 -1.863 1.00 0.40 C ATOM 945 CG1 VAL A 59 -7.552 -14.402 -1.635 1.00 0.41 C ATOM 946 CG2 VAL A 59 -9.638 -13.747 -2.884 1.00 0.65 C ATOM 0 H VAL A 59 -9.915 -14.992 -0.485 1.00 0.28 H new ATOM 0 HA VAL A 59 -8.562 -12.429 0.149 1.00 0.19 H new ATOM 0 HB VAL A 59 -8.068 -12.413 -2.263 1.00 0.40 H new ATOM 0 HG11 VAL A 59 -7.068 -14.652 -2.579 1.00 0.41 H new ATOM 0 HG12 VAL A 59 -6.801 -14.065 -0.921 1.00 0.41 H new ATOM 0 HG13 VAL A 59 -8.057 -15.284 -1.241 1.00 0.41 H new ATOM 0 HG21 VAL A 59 -9.158 -13.980 -3.835 1.00 0.65 H new ATOM 0 HG22 VAL A 59 -10.148 -14.634 -2.508 1.00 0.65 H new ATOM 0 HG23 VAL A 59 -10.363 -12.946 -3.030 1.00 0.65 H new ATOM 956 N GLU A 60 -10.151 -10.848 -1.125 1.00 0.14 N ATOM 957 CA GLU A 60 -11.240 -9.886 -1.436 1.00 0.34 C ATOM 958 C GLU A 60 -10.674 -8.712 -2.231 1.00 0.24 C ATOM 959 O GLU A 60 -9.821 -7.991 -1.756 1.00 0.50 O ATOM 960 CB GLU A 60 -11.831 -9.364 -0.122 1.00 0.59 C ATOM 961 CG GLU A 60 -13.217 -9.988 0.112 1.00 0.94 C ATOM 962 CD GLU A 60 -14.189 -9.519 -0.973 1.00 3.04 C ATOM 963 OE1 GLU A 60 -14.745 -8.455 -0.776 1.00 3.63 O ATOM 964 OE2 GLU A 60 -14.327 -10.255 -1.935 1.00 4.48 O ATOM 0 H GLU A 60 -9.208 -10.462 -1.171 1.00 0.14 H new ATOM 0 HA GLU A 60 -12.012 -10.383 -2.023 1.00 0.34 H new ATOM 0 HB2 GLU A 60 -11.168 -9.608 0.708 1.00 0.59 H new ATOM 0 HB3 GLU A 60 -11.913 -8.278 -0.156 1.00 0.59 H new ATOM 0 HG2 GLU A 60 -13.143 -11.075 0.100 1.00 0.94 H new ATOM 0 HG3 GLU A 60 -13.592 -9.705 1.096 1.00 0.94 H new ATOM 971 N GLU A 61 -11.166 -8.554 -3.431 1.00 0.54 N ATOM 972 CA GLU A 61 -10.694 -7.442 -4.306 1.00 0.45 C ATOM 973 C GLU A 61 -10.606 -6.104 -3.570 1.00 0.42 C ATOM 974 O GLU A 61 -11.499 -5.282 -3.631 1.00 0.63 O ATOM 975 CB GLU A 61 -11.682 -7.307 -5.472 1.00 0.69 C ATOM 976 CG GLU A 61 -13.111 -7.414 -4.933 1.00 1.39 C ATOM 977 CD GLU A 61 -14.100 -7.204 -6.080 1.00 2.29 C ATOM 978 OE1 GLU A 61 -13.767 -7.641 -7.168 1.00 2.47 O ATOM 979 OE2 GLU A 61 -15.137 -6.623 -5.803 1.00 2.94 O ATOM 0 H GLU A 61 -11.880 -9.153 -3.845 1.00 0.54 H new ATOM 0 HA GLU A 61 -9.688 -7.684 -4.649 1.00 0.45 H new ATOM 0 HB2 GLU A 61 -11.541 -6.351 -5.976 1.00 0.69 H new ATOM 0 HB3 GLU A 61 -11.500 -8.087 -6.211 1.00 0.69 H new ATOM 0 HG2 GLU A 61 -13.268 -8.391 -4.477 1.00 1.39 H new ATOM 0 HG3 GLU A 61 -13.275 -6.669 -4.155 1.00 1.39 H new ATOM 986 N MET A 62 -9.515 -5.925 -2.895 1.00 0.28 N ATOM 987 CA MET A 62 -9.290 -4.667 -2.134 1.00 0.48 C ATOM 988 C MET A 62 -10.527 -4.209 -1.350 1.00 0.72 C ATOM 989 O MET A 62 -11.455 -3.659 -1.904 1.00 1.11 O ATOM 990 CB MET A 62 -8.913 -3.578 -3.144 1.00 0.90 C ATOM 991 CG MET A 62 -7.476 -3.797 -3.639 1.00 1.24 C ATOM 992 SD MET A 62 -6.253 -2.539 -3.195 1.00 1.28 S ATOM 993 CE MET A 62 -5.041 -3.649 -2.442 1.00 1.54 C ATOM 0 H MET A 62 -8.756 -6.604 -2.835 1.00 0.28 H new ATOM 0 HA MET A 62 -8.502 -4.848 -1.403 1.00 0.48 H new ATOM 0 HB2 MET A 62 -9.604 -3.597 -3.987 1.00 0.90 H new ATOM 0 HB3 MET A 62 -9.001 -2.595 -2.682 1.00 0.90 H new ATOM 0 HG2 MET A 62 -7.129 -4.757 -3.257 1.00 1.24 H new ATOM 0 HG3 MET A 62 -7.501 -3.877 -4.726 1.00 1.24 H new ATOM 0 HE1 MET A 62 -4.163 -3.078 -2.140 1.00 1.54 H new ATOM 0 HE2 MET A 62 -5.481 -4.128 -1.567 1.00 1.54 H new ATOM 0 HE3 MET A 62 -4.747 -4.411 -3.164 1.00 1.54 H new ATOM 1003 N VAL A 63 -10.490 -4.472 -0.066 1.00 0.63 N ATOM 1004 CA VAL A 63 -11.595 -4.096 0.852 1.00 1.06 C ATOM 1005 C VAL A 63 -12.972 -4.167 0.222 1.00 3.27 C ATOM 1006 O VAL A 63 -13.364 -3.390 -0.626 1.00 3.82 O ATOM 1007 CB VAL A 63 -11.335 -2.708 1.433 1.00 1.13 C ATOM 1008 CG1 VAL A 63 -10.627 -1.831 0.402 1.00 3.34 C ATOM 1009 CG2 VAL A 63 -12.653 -2.047 1.844 1.00 3.40 C ATOM 0 H VAL A 63 -9.712 -4.947 0.391 1.00 0.63 H new ATOM 0 HA VAL A 63 -11.602 -4.839 1.649 1.00 1.06 H new ATOM 0 HB VAL A 63 -10.700 -2.816 2.313 1.00 1.13 H new ATOM 0 HG11 VAL A 63 -10.447 -0.844 0.827 1.00 3.34 H new ATOM 0 HG12 VAL A 63 -9.676 -2.287 0.128 1.00 3.34 H new ATOM 0 HG13 VAL A 63 -11.253 -1.735 -0.485 1.00 3.34 H new ATOM 0 HG21 VAL A 63 -12.451 -1.058 2.256 1.00 3.40 H new ATOM 0 HG22 VAL A 63 -13.300 -1.951 0.972 1.00 3.40 H new ATOM 0 HG23 VAL A 63 -13.148 -2.660 2.597 1.00 3.40 H new ATOM 1019 N ASN A 64 -13.664 -5.116 0.736 1.00 5.36 N ATOM 1020 CA ASN A 64 -15.064 -5.417 0.304 1.00 7.84 C ATOM 1021 C ASN A 64 -15.835 -4.185 -0.206 1.00 8.19 C ATOM 1022 O ASN A 64 -16.382 -3.440 0.583 1.00 9.40 O ATOM 1023 CB ASN A 64 -15.814 -5.944 1.532 1.00 9.82 C ATOM 1024 CG ASN A 64 -15.231 -7.299 1.939 1.00 9.82 C ATOM 1025 OD1 ASN A 64 -14.202 -7.376 2.580 1.00 8.14 O ATOM 1026 ND2 ASN A 64 -15.854 -8.387 1.583 1.00 11.87 N ATOM 0 H ASN A 64 -13.316 -5.732 1.471 1.00 5.36 H new ATOM 0 HA ASN A 64 -15.005 -6.129 -0.519 1.00 7.84 H new ATOM 0 HB2 ASN A 64 -15.728 -5.236 2.356 1.00 9.82 H new ATOM 0 HB3 ASN A 64 -16.876 -6.045 1.308 1.00 9.82 H new ATOM 0 HD21 ASN A 64 -15.477 -9.299 1.843 1.00 11.87 H new ATOM 0 HD22 ASN A 64 -16.718 -8.327 1.045 1.00 11.87 H new ATOM 1033 N PRO A 65 -15.863 -3.973 -1.510 1.00 7.57 N ATOM 1034 CA PRO A 65 -16.585 -2.823 -2.079 1.00 7.88 C ATOM 1035 C PRO A 65 -18.070 -3.160 -2.213 1.00 10.75 C ATOM 1036 O PRO A 65 -18.759 -2.677 -3.089 1.00 11.85 O ATOM 1037 CB PRO A 65 -15.970 -2.646 -3.481 1.00 6.56 C ATOM 1038 CG PRO A 65 -15.134 -3.918 -3.780 1.00 6.46 C ATOM 1039 CD PRO A 65 -15.130 -4.780 -2.508 1.00 7.19 C ATOM 0 HA PRO A 65 -16.502 -1.928 -1.462 1.00 7.88 H new ATOM 0 HB2 PRO A 65 -16.751 -2.514 -4.230 1.00 6.56 H new ATOM 0 HB3 PRO A 65 -15.342 -1.756 -3.516 1.00 6.56 H new ATOM 0 HG2 PRO A 65 -15.563 -4.471 -4.616 1.00 6.46 H new ATOM 0 HG3 PRO A 65 -14.116 -3.650 -4.064 1.00 6.46 H new ATOM 0 HD2 PRO A 65 -15.618 -5.740 -2.678 1.00 7.19 H new ATOM 0 HD3 PRO A 65 -14.114 -4.993 -2.177 1.00 7.19 H new ATOM 1047 N GLU A 66 -18.532 -3.969 -1.306 1.00 12.31 N ATOM 1048 CA GLU A 66 -19.965 -4.386 -1.322 1.00 15.10 C ATOM 1049 C GLU A 66 -20.909 -3.247 -1.713 1.00 16.03 C ATOM 1050 O GLU A 66 -20.999 -2.248 -1.024 1.00 15.69 O ATOM 1051 CB GLU A 66 -20.342 -4.876 0.080 1.00 16.36 C ATOM 1052 CG GLU A 66 -19.641 -4.011 1.127 1.00 16.25 C ATOM 1053 CD GLU A 66 -20.227 -4.323 2.505 1.00 17.39 C ATOM 1054 OE1 GLU A 66 -20.644 -5.458 2.670 1.00 17.53 O ATOM 1055 OE2 GLU A 66 -20.226 -3.412 3.314 1.00 18.11 O ATOM 0 H GLU A 66 -17.977 -4.364 -0.547 1.00 12.31 H new ATOM 0 HA GLU A 66 -20.073 -5.172 -2.070 1.00 15.10 H new ATOM 0 HB2 GLU A 66 -21.422 -4.827 0.216 1.00 16.36 H new ATOM 0 HB3 GLU A 66 -20.053 -5.920 0.202 1.00 16.36 H new ATOM 0 HG2 GLU A 66 -18.569 -4.207 1.121 1.00 16.25 H new ATOM 0 HG3 GLU A 66 -19.773 -2.955 0.892 1.00 16.25 H new ATOM 1062 N GLY A 67 -21.598 -3.433 -2.815 1.00 17.56 N ATOM 1063 CA GLY A 67 -22.553 -2.385 -3.290 1.00 18.91 C ATOM 1064 C GLY A 67 -22.256 -1.984 -4.741 1.00 19.39 C ATOM 1065 O GLY A 67 -21.363 -1.200 -4.995 1.00 18.03 O ATOM 0 H GLY A 67 -21.539 -4.264 -3.404 1.00 17.56 H new ATOM 0 HA2 GLY A 67 -23.574 -2.758 -3.214 1.00 18.91 H new ATOM 0 HA3 GLY A 67 -22.485 -1.508 -2.646 1.00 18.91 H new ATOM 1069 N ILE A 68 -23.018 -2.534 -5.657 1.00 21.41 N ATOM 1070 CA ILE A 68 -22.814 -2.205 -7.100 1.00 22.11 C ATOM 1071 C ILE A 68 -24.035 -1.467 -7.652 1.00 23.45 C ATOM 1072 O ILE A 68 -24.637 -0.664 -6.971 1.00 23.73 O ATOM 1073 CB ILE A 68 -22.636 -3.507 -7.892 1.00 23.72 C ATOM 1074 CG1 ILE A 68 -21.879 -4.544 -7.061 1.00 23.38 C ATOM 1075 CG2 ILE A 68 -21.814 -3.192 -9.151 1.00 24.02 C ATOM 1076 CD1 ILE A 68 -22.889 -5.487 -6.406 1.00 25.40 C ATOM 0 H ILE A 68 -23.771 -3.195 -5.466 1.00 21.41 H new ATOM 0 HA ILE A 68 -21.931 -1.573 -7.196 1.00 22.11 H new ATOM 0 HB ILE A 68 -23.616 -3.910 -8.149 1.00 23.72 H new ATOM 0 HG12 ILE A 68 -21.193 -5.107 -7.694 1.00 23.38 H new ATOM 0 HG13 ILE A 68 -21.276 -4.049 -6.299 1.00 23.38 H new ATOM 0 HG21 ILE A 68 -21.674 -4.104 -9.732 1.00 24.02 H new ATOM 0 HG22 ILE A 68 -22.342 -2.455 -9.755 1.00 24.02 H new ATOM 0 HG23 ILE A 68 -20.842 -2.794 -8.861 1.00 24.02 H new ATOM 0 HD11 ILE A 68 -22.359 -6.231 -5.811 1.00 25.40 H new ATOM 0 HD12 ILE A 68 -23.556 -4.915 -5.762 1.00 25.40 H new ATOM 0 HD13 ILE A 68 -23.472 -5.989 -7.178 1.00 25.40 H new ATOM 1088 N HIS A 69 -24.374 -1.755 -8.877 1.00 24.45 N ATOM 1089 CA HIS A 69 -25.552 -1.082 -9.489 1.00 25.88 C ATOM 1090 C HIS A 69 -25.959 -1.774 -10.793 1.00 27.91 C ATOM 1091 O HIS A 69 -25.713 -2.949 -10.969 1.00 28.78 O ATOM 1092 CB HIS A 69 -25.185 0.373 -9.786 1.00 24.86 C ATOM 1093 CG HIS A 69 -26.387 1.256 -9.447 1.00 25.11 C ATOM 1094 ND1 HIS A 69 -27.099 1.147 -8.400 1.00 24.71 N ATOM 1095 CD2 HIS A 69 -26.960 2.291 -10.160 1.00 25.85 C ATOM 1096 CE1 HIS A 69 -28.046 2.008 -8.406 1.00 25.09 C ATOM 1097 NE2 HIS A 69 -28.021 2.770 -9.488 1.00 25.82 N ATOM 0 H HIS A 69 -23.890 -2.423 -9.477 1.00 24.45 H new ATOM 0 HA HIS A 69 -26.390 -1.134 -8.794 1.00 25.88 H new ATOM 0 HB2 HIS A 69 -24.317 0.672 -9.198 1.00 24.86 H new ATOM 0 HB3 HIS A 69 -24.914 0.489 -10.835 1.00 24.86 H new ATOM 0 HD2 HIS A 69 -26.609 2.659 -11.113 1.00 25.85 H new ATOM 0 HE1 HIS A 69 -28.780 2.102 -7.620 1.00 25.09 H new ATOM 0 HE2 HIS A 69 -28.650 3.530 -9.747 1.00 25.82 H new ATOM 1105 N ARG A 70 -26.580 -1.034 -11.678 1.00 28.84 N ATOM 1106 CA ARG A 70 -27.007 -1.639 -12.973 1.00 30.89 C ATOM 1107 C ARG A 70 -25.913 -2.520 -13.567 1.00 30.74 C ATOM 1108 O ARG A 70 -24.796 -2.545 -13.090 1.00 29.46 O ATOM 1109 CB ARG A 70 -27.311 -0.512 -13.970 1.00 31.41 C ATOM 1110 CG ARG A 70 -28.510 -0.920 -14.830 1.00 34.21 C ATOM 1111 CD ARG A 70 -28.769 0.151 -15.890 1.00 34.73 C ATOM 1112 NE ARG A 70 -29.600 -0.446 -16.971 1.00 37.23 N ATOM 1113 CZ ARG A 70 -29.142 -0.473 -18.193 1.00 37.61 C ATOM 1114 NH1 ARG A 70 -28.966 0.656 -18.824 1.00 38.09 N ATOM 1115 NH2 ARG A 70 -28.875 -1.627 -18.738 1.00 37.62 N ATOM 0 H ARG A 70 -26.807 -0.047 -11.560 1.00 28.84 H new ATOM 0 HA ARG A 70 -27.888 -2.253 -12.786 1.00 30.89 H new ATOM 0 HB2 ARG A 70 -27.527 0.414 -13.437 1.00 31.41 H new ATOM 0 HB3 ARG A 70 -26.442 -0.322 -14.600 1.00 31.41 H new ATOM 0 HG2 ARG A 70 -28.317 -1.880 -15.308 1.00 34.21 H new ATOM 0 HG3 ARG A 70 -29.393 -1.047 -14.204 1.00 34.21 H new ATOM 0 HD2 ARG A 70 -29.280 1.006 -15.448 1.00 34.73 H new ATOM 0 HD3 ARG A 70 -27.826 0.518 -16.296 1.00 34.73 H new ATOM 0 HE ARG A 70 -30.520 -0.831 -16.758 1.00 37.23 H new ATOM 0 HH11 ARG A 70 -29.185 1.538 -18.362 1.00 38.09 H new ATOM 0 HH12 ARG A 70 -28.609 0.656 -19.779 1.00 38.09 H new ATOM 0 HH21 ARG A 70 -29.025 -2.487 -18.210 1.00 37.62 H new ATOM 0 HH22 ARG A 70 -28.516 -1.670 -19.692 1.00 37.62 H new ATOM 1129 N ASP A 71 -26.260 -3.223 -14.609 1.00 32.16 N ATOM 1130 CA ASP A 71 -25.270 -4.109 -15.257 1.00 32.26 C ATOM 1131 C ASP A 71 -24.421 -3.330 -16.257 1.00 30.52 C ATOM 1132 O ASP A 71 -24.964 -2.385 -16.806 1.00 30.49 O ATOM 1133 CB ASP A 71 -26.035 -5.210 -15.997 1.00 34.77 C ATOM 1134 CG ASP A 71 -25.308 -5.546 -17.300 1.00 35.28 C ATOM 1135 OD1 ASP A 71 -24.247 -6.138 -17.191 1.00 35.20 O ATOM 1136 OD2 ASP A 71 -25.853 -5.188 -18.330 1.00 35.81 O ATOM 1137 OXT ASP A 71 -23.277 -3.719 -16.417 1.00 29.31 O ATOM 0 H ASP A 71 -27.187 -3.218 -15.035 1.00 32.16 H new ATOM 0 HA ASP A 71 -24.608 -4.531 -14.501 1.00 32.26 H new ATOM 0 HB2 ASP A 71 -26.111 -6.099 -15.371 1.00 34.77 H new ATOM 0 HB3 ASP A 71 -27.052 -4.881 -16.210 1.00 34.77 H new TER 1142 ASP A 71