USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 2 LYS NZ :NH3+ -113:sc= 0.0377 (180deg=0) USER MOD Set 1.2: A 11 SER OG : rot 32:sc= 0.135 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.212 (180deg=-1.13) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 22 TYR OH : rot -176:sc= -0.615 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0644 (180deg=-0.43) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 46 SER OG : rot -20:sc= 1.33 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.49) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.16 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.841 4.760 -1.254 1.00 0.00 N ATOM 19 CA LYS A 2 -12.393 3.469 -0.879 1.00 0.00 C ATOM 20 C LYS A 2 -11.467 2.358 -1.381 1.00 0.00 C ATOM 21 O LYS A 2 -11.408 2.090 -2.580 1.00 0.00 O ATOM 22 CB LYS A 2 -13.835 3.338 -1.374 1.00 0.00 C ATOM 23 CG LYS A 2 -14.405 1.957 -1.044 1.00 0.00 C ATOM 24 CD LYS A 2 -15.820 2.071 -0.474 1.00 0.00 C ATOM 25 CE LYS A 2 -15.983 1.193 0.769 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.177 0.329 0.641 1.00 0.00 N ATOM 0 HA LYS A 2 -12.444 3.377 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.453 4.110 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.870 3.502 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.420 1.341 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.758 1.455 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.031 3.110 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.546 1.774 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.094 0.577 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.075 1.821 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.890 0.616 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.574 0.425 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.908 -0.662 0.807 1.00 0.00 H new ATOM 39 N CYS A 3 -10.769 1.743 -0.438 1.00 0.00 N ATOM 40 CA CYS A 3 -9.849 0.668 -0.769 1.00 0.00 C ATOM 41 C CYS A 3 -10.153 -0.522 0.142 1.00 0.00 C ATOM 42 O CYS A 3 -11.090 -0.476 0.938 1.00 0.00 O ATOM 43 CB CYS A 3 -8.391 1.116 -0.656 1.00 0.00 C ATOM 44 SG CYS A 3 -7.806 2.183 -2.023 1.00 0.00 S ATOM 0 H CYS A 3 -10.822 1.968 0.555 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.990 0.373 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.262 1.652 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.757 0.231 -0.608 1.00 0.00 H new ATOM 49 N LYS A 4 -9.344 -1.561 -0.005 1.00 0.00 N ATOM 50 CA LYS A 4 -9.515 -2.762 0.796 1.00 0.00 C ATOM 51 C LYS A 4 -8.661 -2.652 2.060 1.00 0.00 C ATOM 52 O LYS A 4 -7.588 -2.052 2.039 1.00 0.00 O ATOM 53 CB LYS A 4 -9.220 -4.009 -0.040 1.00 0.00 C ATOM 54 CG LYS A 4 -10.472 -4.480 -0.783 1.00 0.00 C ATOM 55 CD LYS A 4 -11.207 -5.561 0.012 1.00 0.00 C ATOM 56 CE LYS A 4 -12.355 -6.157 -0.805 1.00 0.00 C ATOM 57 NZ LYS A 4 -13.549 -6.354 0.046 1.00 0.00 N ATOM 0 H LYS A 4 -8.568 -1.596 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.551 -2.861 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.428 -3.792 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.855 -4.807 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.137 -3.634 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.193 -4.870 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.508 -6.349 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.597 -5.136 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.599 -5.496 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.047 -7.110 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.319 -6.759 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.317 -7.003 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.852 -5.439 0.436 1.00 0.00 H new ATOM 70 N LYS A 5 -9.169 -3.242 3.132 1.00 0.00 N ATOM 71 CA LYS A 5 -8.467 -3.219 4.404 1.00 0.00 C ATOM 72 C LYS A 5 -7.388 -4.304 4.405 1.00 0.00 C ATOM 73 O LYS A 5 -7.119 -4.918 3.374 1.00 0.00 O ATOM 74 CB LYS A 5 -9.456 -3.333 5.565 1.00 0.00 C ATOM 75 CG LYS A 5 -10.056 -1.969 5.911 1.00 0.00 C ATOM 76 CD LYS A 5 -9.007 -1.053 6.544 1.00 0.00 C ATOM 77 CE LYS A 5 -9.212 -0.949 8.057 1.00 0.00 C ATOM 78 NZ LYS A 5 -7.908 -0.874 8.753 1.00 0.00 N ATOM 0 H LYS A 5 -10.059 -3.739 3.146 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.960 -2.264 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.253 -4.028 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.950 -3.744 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.454 -1.503 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.892 -2.099 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.009 -1.438 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.067 -0.061 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.806 -0.065 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.772 -1.813 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.065 -0.804 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.354 -1.729 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.387 -0.036 8.425 1.00 0.00 H new ATOM 91 N LEU A 6 -6.800 -4.507 5.575 1.00 0.00 N ATOM 92 CA LEU A 6 -5.756 -5.507 5.724 1.00 0.00 C ATOM 93 C LEU A 6 -6.175 -6.786 4.997 1.00 0.00 C ATOM 94 O LEU A 6 -5.583 -7.150 3.982 1.00 0.00 O ATOM 95 CB LEU A 6 -5.426 -5.720 7.203 1.00 0.00 C ATOM 96 CG LEU A 6 -4.322 -4.831 7.779 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.898 -3.521 8.320 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.510 -5.581 8.837 1.00 0.00 C ATOM 0 H LEU A 6 -7.027 -3.996 6.428 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.831 -5.165 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.334 -5.560 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.137 -6.761 7.344 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.637 -4.572 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.092 -2.908 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.395 -2.982 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.618 -3.738 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.732 -4.926 9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.168 -5.891 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.050 -6.461 8.387 1.00 0.00 H new ATOM 108 N VAL A 7 -7.192 -7.435 5.545 1.00 0.00 N ATOM 109 CA VAL A 7 -7.696 -8.666 4.962 1.00 0.00 C ATOM 110 C VAL A 7 -8.712 -8.328 3.868 1.00 0.00 C ATOM 111 O VAL A 7 -9.558 -7.454 4.050 1.00 0.00 O ATOM 112 CB VAL A 7 -8.273 -9.566 6.056 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.876 -10.839 5.458 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.212 -9.903 7.105 1.00 0.00 C ATOM 0 H VAL A 7 -7.681 -7.131 6.387 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.887 -9.226 4.493 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.073 -9.018 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.279 -11.461 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.676 -10.573 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.103 -11.391 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.648 -10.544 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.381 -10.422 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.850 -8.983 7.564 1.00 0.00 H new ATOM 122 N PRO A 8 -8.592 -9.058 2.727 1.00 0.00 N ATOM 123 CA PRO A 8 -9.489 -8.845 1.604 1.00 0.00 C ATOM 124 C PRO A 8 -10.869 -9.445 1.883 1.00 0.00 C ATOM 125 O PRO A 8 -11.375 -10.241 1.094 1.00 0.00 O ATOM 126 CB PRO A 8 -8.792 -9.487 0.416 1.00 0.00 C ATOM 127 CG PRO A 8 -7.759 -10.435 1.001 1.00 0.00 C ATOM 128 CD PRO A 8 -7.602 -10.102 2.476 1.00 0.00 C ATOM 0 HA PRO A 8 -9.681 -7.789 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.504 -10.024 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.318 -8.733 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.077 -11.470 0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.806 -10.329 0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.782 -10.977 3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.593 -9.753 2.698 1.00 0.00 H new ATOM 136 N LEU A 9 -11.438 -9.039 3.009 1.00 0.00 N ATOM 137 CA LEU A 9 -12.749 -9.526 3.402 1.00 0.00 C ATOM 138 C LEU A 9 -13.734 -8.356 3.436 1.00 0.00 C ATOM 139 O LEU A 9 -14.907 -8.517 3.100 1.00 0.00 O ATOM 140 CB LEU A 9 -12.662 -10.295 4.722 1.00 0.00 C ATOM 141 CG LEU A 9 -12.322 -11.783 4.610 1.00 0.00 C ATOM 142 CD1 LEU A 9 -12.014 -12.380 5.984 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.435 -12.547 3.890 1.00 0.00 C ATOM 0 H LEU A 9 -11.015 -8.379 3.661 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.126 -10.239 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.910 -9.817 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.617 -10.199 5.239 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.420 -11.883 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.776 -13.438 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.163 -11.860 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.883 -12.268 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.168 -13.602 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.367 -12.442 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.564 -12.142 2.886 1.00 0.00 H new ATOM 153 N PHE A 10 -13.222 -7.205 3.846 1.00 0.00 N ATOM 154 CA PHE A 10 -14.042 -6.008 3.929 1.00 0.00 C ATOM 155 C PHE A 10 -13.292 -4.791 3.386 1.00 0.00 C ATOM 156 O PHE A 10 -12.064 -4.798 3.306 1.00 0.00 O ATOM 157 CB PHE A 10 -14.354 -5.782 5.410 1.00 0.00 C ATOM 158 CG PHE A 10 -14.730 -7.056 6.169 1.00 0.00 C ATOM 159 CD1 PHE A 10 -13.761 -7.807 6.758 1.00 0.00 C ATOM 160 CD2 PHE A 10 -16.032 -7.438 6.255 1.00 0.00 C ATOM 161 CE1 PHE A 10 -14.109 -8.989 7.462 1.00 0.00 C ATOM 162 CE2 PHE A 10 -16.380 -8.620 6.959 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.411 -9.371 7.548 1.00 0.00 C ATOM 0 H PHE A 10 -12.249 -7.076 4.124 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.948 -6.136 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.486 -5.329 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.173 -5.067 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.727 -7.504 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.802 -6.842 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.339 -9.585 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.414 -8.923 7.027 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.676 -10.271 8.084 1.00 0.00 H new ATOM 173 N SER A 11 -14.061 -3.773 3.026 1.00 0.00 N ATOM 174 CA SER A 11 -13.484 -2.551 2.493 1.00 0.00 C ATOM 175 C SER A 11 -13.700 -1.398 3.476 1.00 0.00 C ATOM 176 O SER A 11 -14.678 -1.389 4.222 1.00 0.00 O ATOM 177 CB SER A 11 -14.086 -2.207 1.130 1.00 0.00 C ATOM 178 OG SER A 11 -15.507 -2.323 1.129 1.00 0.00 O ATOM 0 H SER A 11 -15.079 -3.770 3.093 1.00 0.00 H new ATOM 0 HA SER A 11 -12.414 -2.708 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.805 -1.190 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.668 -2.869 0.372 1.00 0.00 H new ATOM 0 HG SER A 11 -15.854 -2.104 2.019 1.00 0.00 H new ATOM 184 N LYS A 12 -12.772 -0.454 3.444 1.00 0.00 N ATOM 185 CA LYS A 12 -12.849 0.701 4.322 1.00 0.00 C ATOM 186 C LYS A 12 -12.266 1.921 3.606 1.00 0.00 C ATOM 187 O LYS A 12 -11.393 1.785 2.750 1.00 0.00 O ATOM 188 CB LYS A 12 -12.181 0.399 5.665 1.00 0.00 C ATOM 189 CG LYS A 12 -12.719 1.316 6.764 1.00 0.00 C ATOM 190 CD LYS A 12 -13.934 0.692 7.454 1.00 0.00 C ATOM 191 CE LYS A 12 -13.987 1.082 8.932 1.00 0.00 C ATOM 192 NZ LYS A 12 -15.338 0.838 9.485 1.00 0.00 N ATOM 0 H LYS A 12 -11.962 -0.465 2.824 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.888 0.934 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.357 -0.642 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.102 0.527 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.937 1.506 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.995 2.280 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.847 1.018 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.891 -0.393 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.249 0.508 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.726 2.134 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.356 1.108 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.035 1.405 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.573 -0.171 9.394 1.00 0.00 H new ATOM 205 N THR A 13 -12.773 3.086 3.982 1.00 0.00 N ATOM 206 CA THR A 13 -12.314 4.329 3.386 1.00 0.00 C ATOM 207 C THR A 13 -11.263 4.992 4.279 1.00 0.00 C ATOM 208 O THR A 13 -11.551 5.355 5.419 1.00 0.00 O ATOM 209 CB THR A 13 -13.537 5.211 3.130 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.112 4.672 1.943 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.157 6.642 2.743 1.00 0.00 C ATOM 0 H THR A 13 -13.497 3.195 4.692 1.00 0.00 H new ATOM 0 HA THR A 13 -11.819 4.151 2.431 1.00 0.00 H new ATOM 0 HB THR A 13 -14.163 5.230 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.913 5.184 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.062 7.225 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.579 7.096 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.559 6.626 1.832 1.00 0.00 H new ATOM 218 N CYS A 14 -10.066 5.131 3.728 1.00 0.00 N ATOM 219 CA CYS A 14 -8.971 5.744 4.460 1.00 0.00 C ATOM 220 C CYS A 14 -9.491 7.022 5.121 1.00 0.00 C ATOM 221 O CYS A 14 -10.274 7.760 4.524 1.00 0.00 O ATOM 222 CB CYS A 14 -7.769 6.019 3.554 1.00 0.00 C ATOM 223 SG CYS A 14 -7.310 4.636 2.447 1.00 0.00 S ATOM 0 H CYS A 14 -9.831 4.829 2.783 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.615 5.058 5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.984 6.897 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.910 6.267 4.178 1.00 0.00 H new ATOM 228 N PRO A 15 -9.023 7.250 6.377 1.00 0.00 N ATOM 229 CA PRO A 15 -9.433 8.426 7.126 1.00 0.00 C ATOM 230 C PRO A 15 -8.734 9.682 6.601 1.00 0.00 C ATOM 231 O PRO A 15 -7.767 9.589 5.846 1.00 0.00 O ATOM 232 CB PRO A 15 -9.083 8.113 8.572 1.00 0.00 C ATOM 233 CG PRO A 15 -8.073 6.978 8.520 1.00 0.00 C ATOM 234 CD PRO A 15 -8.095 6.398 7.116 1.00 0.00 C ATOM 0 HA PRO A 15 -10.497 8.639 7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.663 8.987 9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.970 7.821 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.076 7.343 8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.322 6.211 9.254 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.102 6.411 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.429 5.360 7.121 1.00 0.00 H new ATOM 242 N ALA A 16 -9.251 10.827 7.020 1.00 0.00 N ATOM 243 CA ALA A 16 -8.689 12.100 6.601 1.00 0.00 C ATOM 244 C ALA A 16 -7.167 12.057 6.758 1.00 0.00 C ATOM 245 O ALA A 16 -6.651 11.404 7.663 1.00 0.00 O ATOM 246 CB ALA A 16 -9.327 13.231 7.411 1.00 0.00 C ATOM 0 H ALA A 16 -10.053 10.900 7.646 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.907 12.289 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.906 14.186 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.404 13.237 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.126 13.077 8.471 1.00 0.00 H new ATOM 251 N GLY A 17 -6.492 12.762 5.862 1.00 0.00 N ATOM 252 CA GLY A 17 -5.040 12.812 5.889 1.00 0.00 C ATOM 253 C GLY A 17 -4.438 11.777 4.937 1.00 0.00 C ATOM 254 O GLY A 17 -3.569 12.102 4.130 1.00 0.00 O ATOM 0 H GLY A 17 -6.924 13.303 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.702 13.809 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.685 12.628 6.903 1.00 0.00 H new ATOM 258 N LYS A 18 -4.923 10.550 5.064 1.00 0.00 N ATOM 259 CA LYS A 18 -4.443 9.465 4.225 1.00 0.00 C ATOM 260 C LYS A 18 -5.396 9.281 3.042 1.00 0.00 C ATOM 261 O LYS A 18 -6.416 8.605 3.162 1.00 0.00 O ATOM 262 CB LYS A 18 -4.241 8.196 5.055 1.00 0.00 C ATOM 263 CG LYS A 18 -3.738 8.534 6.460 1.00 0.00 C ATOM 264 CD LYS A 18 -2.289 9.025 6.420 1.00 0.00 C ATOM 265 CE LYS A 18 -1.978 9.911 7.629 1.00 0.00 C ATOM 266 NZ LYS A 18 -2.144 11.340 7.281 1.00 0.00 N ATOM 0 H LYS A 18 -5.643 10.284 5.735 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.464 9.707 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.181 7.648 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.526 7.541 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.374 9.301 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.810 7.653 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.612 8.171 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.116 9.584 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.639 9.653 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.958 9.729 7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.347 11.886 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.168 11.445 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.034 11.695 7.685 1.00 0.00 H new ATOM 279 N ASN A 19 -5.029 9.895 1.927 1.00 0.00 N ATOM 280 CA ASN A 19 -5.838 9.807 0.723 1.00 0.00 C ATOM 281 C ASN A 19 -5.138 8.901 -0.291 1.00 0.00 C ATOM 282 O ASN A 19 -5.479 8.908 -1.473 1.00 0.00 O ATOM 283 CB ASN A 19 -6.020 11.184 0.081 1.00 0.00 C ATOM 284 CG ASN A 19 -7.246 11.898 0.654 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.646 11.688 1.787 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.818 12.753 -0.190 1.00 0.00 N ATOM 0 H ASN A 19 -4.182 10.456 1.832 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.813 9.406 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.130 11.789 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.130 11.075 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.642 13.280 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.432 12.882 -1.125 1.00 0.00 H new ATOM 293 N LEU A 20 -4.173 8.142 0.207 1.00 0.00 N ATOM 294 CA LEU A 20 -3.423 7.232 -0.641 1.00 0.00 C ATOM 295 C LEU A 20 -3.468 5.826 -0.039 1.00 0.00 C ATOM 296 O LEU A 20 -3.233 5.651 1.156 1.00 0.00 O ATOM 297 CB LEU A 20 -2.005 7.758 -0.869 1.00 0.00 C ATOM 298 CG LEU A 20 -1.872 8.926 -1.848 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.538 9.651 -1.659 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.070 8.457 -3.291 1.00 0.00 C ATOM 0 H LEU A 20 -3.893 8.139 1.188 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.878 7.170 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.595 8.067 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.387 6.935 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.662 9.645 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.469 10.477 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.476 10.039 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.282 8.955 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.970 9.307 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.317 7.708 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.064 8.022 -3.399 1.00 0.00 H new ATOM 310 N CYS A 21 -3.771 4.860 -0.893 1.00 0.00 N ATOM 311 CA CYS A 21 -3.850 3.475 -0.460 1.00 0.00 C ATOM 312 C CYS A 21 -2.492 2.816 -0.711 1.00 0.00 C ATOM 313 O CYS A 21 -1.914 2.965 -1.786 1.00 0.00 O ATOM 314 CB CYS A 21 -4.985 2.727 -1.161 1.00 0.00 C ATOM 315 SG CYS A 21 -6.597 3.593 -1.148 1.00 0.00 S ATOM 0 H CYS A 21 -3.965 5.009 -1.883 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.081 3.436 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.696 2.543 -2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.107 1.753 -0.686 1.00 0.00 H new ATOM 320 N TYR A 22 -2.021 2.101 0.301 1.00 0.00 N ATOM 321 CA TYR A 22 -0.742 1.418 0.204 1.00 0.00 C ATOM 322 C TYR A 22 -0.870 -0.048 0.623 1.00 0.00 C ATOM 323 O TYR A 22 -1.808 -0.416 1.329 1.00 0.00 O ATOM 324 CB TYR A 22 0.193 2.135 1.180 1.00 0.00 C ATOM 325 CG TYR A 22 0.092 1.633 2.622 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.656 0.423 2.972 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.564 2.389 3.571 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.561 -0.050 4.329 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.659 1.917 4.928 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.092 0.720 5.240 1.00 0.00 C ATOM 331 OH TYR A 22 -0.181 0.274 6.522 1.00 0.00 O ATOM 0 H TYR A 22 -2.502 1.980 1.192 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.372 1.438 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.221 2.016 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.028 3.202 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.169 -0.169 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.006 3.335 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.998 -0.995 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.169 2.500 5.681 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.728 0.895 7.047 1.00 0.00 H new ATOM 341 N LYS A 23 0.086 -0.845 0.169 1.00 0.00 N ATOM 342 CA LYS A 23 0.092 -2.263 0.487 1.00 0.00 C ATOM 343 C LYS A 23 1.537 -2.743 0.630 1.00 0.00 C ATOM 344 O LYS A 23 2.371 -2.478 -0.235 1.00 0.00 O ATOM 345 CB LYS A 23 -0.718 -3.048 -0.547 1.00 0.00 C ATOM 346 CG LYS A 23 -0.215 -2.768 -1.964 1.00 0.00 C ATOM 347 CD LYS A 23 -0.292 -4.026 -2.832 1.00 0.00 C ATOM 348 CE LYS A 23 -1.638 -4.112 -3.554 1.00 0.00 C ATOM 349 NZ LYS A 23 -2.069 -5.522 -3.679 1.00 0.00 N ATOM 0 H LYS A 23 0.862 -0.536 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.399 -2.441 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.647 -4.115 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.771 -2.778 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.810 -1.974 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.814 -2.412 -1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.517 -4.018 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.151 -4.910 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.389 -3.543 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.556 -3.661 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.984 -5.563 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.360 -6.055 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.166 -5.941 -2.732 1.00 0.00 H new ATOM 362 N MET A 24 1.790 -3.441 1.727 1.00 0.00 N ATOM 363 CA MET A 24 3.121 -3.960 1.994 1.00 0.00 C ATOM 364 C MET A 24 3.165 -5.478 1.805 1.00 0.00 C ATOM 365 O MET A 24 2.269 -6.190 2.257 1.00 0.00 O ATOM 366 CB MET A 24 3.527 -3.612 3.427 1.00 0.00 C ATOM 367 CG MET A 24 3.559 -2.097 3.635 1.00 0.00 C ATOM 368 SD MET A 24 3.432 -1.717 5.375 1.00 0.00 S ATOM 369 CE MET A 24 5.147 -1.863 5.849 1.00 0.00 C ATOM 0 H MET A 24 1.096 -3.660 2.442 1.00 0.00 H new ATOM 0 HA MET A 24 3.817 -3.504 1.289 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.825 -4.064 4.128 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.509 -4.033 3.643 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.484 -1.686 3.231 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.738 -1.630 3.091 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.249 -1.656 6.914 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.497 -2.874 5.641 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.743 -1.148 5.282 1.00 0.00 H new ATOM 378 N PHE A 25 4.216 -5.928 1.136 1.00 0.00 N ATOM 379 CA PHE A 25 4.388 -7.349 0.881 1.00 0.00 C ATOM 380 C PHE A 25 5.872 -7.723 0.848 1.00 0.00 C ATOM 381 O PHE A 25 6.712 -6.912 0.463 1.00 0.00 O ATOM 382 CB PHE A 25 3.771 -7.636 -0.489 1.00 0.00 C ATOM 383 CG PHE A 25 4.382 -6.821 -1.630 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.649 -7.082 -2.050 1.00 0.00 C ATOM 385 CD2 PHE A 25 3.659 -5.835 -2.225 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.217 -6.325 -3.109 1.00 0.00 C ATOM 387 CE2 PHE A 25 4.226 -5.078 -3.285 1.00 0.00 C ATOM 388 CZ PHE A 25 5.493 -5.339 -3.704 1.00 0.00 C ATOM 0 H PHE A 25 4.957 -5.335 0.763 1.00 0.00 H new ATOM 0 HA PHE A 25 3.911 -7.930 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.885 -8.697 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.701 -7.433 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.223 -7.865 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.653 -5.627 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.223 -6.532 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.651 -4.296 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.925 -4.763 -4.509 1.00 0.00 H new ATOM 398 N MET A 26 6.148 -8.953 1.257 1.00 0.00 N ATOM 399 CA MET A 26 7.514 -9.445 1.279 1.00 0.00 C ATOM 400 C MET A 26 7.889 -10.084 -0.061 1.00 0.00 C ATOM 401 O MET A 26 7.099 -10.827 -0.640 1.00 0.00 O ATOM 402 CB MET A 26 7.668 -10.478 2.397 1.00 0.00 C ATOM 403 CG MET A 26 7.704 -9.800 3.768 1.00 0.00 C ATOM 404 SD MET A 26 7.920 -11.024 5.049 1.00 0.00 S ATOM 405 CE MET A 26 8.455 -9.976 6.392 1.00 0.00 C ATOM 0 H MET A 26 5.448 -9.623 1.576 1.00 0.00 H new ATOM 0 HA MET A 26 8.180 -8.601 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.840 -11.186 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.584 -11.049 2.246 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.519 -9.077 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.779 -9.247 3.934 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.636 -10.584 7.278 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.375 -9.464 6.110 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.681 -9.240 6.609 1.00 0.00 H new ATOM 414 N VAL A 27 9.094 -9.770 -0.513 1.00 0.00 N ATOM 415 CA VAL A 27 9.582 -10.303 -1.773 1.00 0.00 C ATOM 416 C VAL A 27 9.596 -11.832 -1.704 1.00 0.00 C ATOM 417 O VAL A 27 9.718 -12.502 -2.728 1.00 0.00 O ATOM 418 CB VAL A 27 10.954 -9.707 -2.097 1.00 0.00 C ATOM 419 CG1 VAL A 27 11.771 -10.658 -2.974 1.00 0.00 C ATOM 420 CG2 VAL A 27 10.813 -8.335 -2.759 1.00 0.00 C ATOM 0 H VAL A 27 9.747 -9.153 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 27 8.918 -10.020 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 27 11.491 -9.572 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.741 -10.211 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.915 -11.603 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.239 -10.839 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.802 -7.934 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.248 -8.434 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.288 -7.658 -2.085 1.00 0.00 H new ATOM 428 N ALA A 28 9.469 -12.338 -0.486 1.00 0.00 N ATOM 429 CA ALA A 28 9.465 -13.775 -0.270 1.00 0.00 C ATOM 430 C ALA A 28 8.738 -14.459 -1.429 1.00 0.00 C ATOM 431 O ALA A 28 9.176 -15.501 -1.913 1.00 0.00 O ATOM 432 CB ALA A 28 8.825 -14.086 1.085 1.00 0.00 C ATOM 0 H ALA A 28 9.368 -11.779 0.361 1.00 0.00 H new ATOM 0 HA ALA A 28 10.484 -14.162 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.822 -15.164 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.396 -13.602 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.800 -13.714 1.097 1.00 0.00 H new ATOM 437 N ALA A 29 7.639 -13.844 -1.841 1.00 0.00 N ATOM 438 CA ALA A 29 6.847 -14.381 -2.935 1.00 0.00 C ATOM 439 C ALA A 29 6.209 -13.227 -3.711 1.00 0.00 C ATOM 440 O ALA A 29 5.888 -12.189 -3.134 1.00 0.00 O ATOM 441 CB ALA A 29 5.806 -15.357 -2.381 1.00 0.00 C ATOM 0 H ALA A 29 7.278 -12.979 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 29 7.478 -14.936 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.212 -15.760 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.311 -16.173 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.153 -14.834 -1.683 1.00 0.00 H new ATOM 446 N PRO A 30 6.039 -13.453 -5.041 1.00 0.00 N ATOM 447 CA PRO A 30 5.446 -12.445 -5.902 1.00 0.00 C ATOM 448 C PRO A 30 3.933 -12.363 -5.688 1.00 0.00 C ATOM 449 O PRO A 30 3.260 -11.534 -6.299 1.00 0.00 O ATOM 450 CB PRO A 30 5.824 -12.860 -7.314 1.00 0.00 C ATOM 451 CG PRO A 30 6.216 -14.326 -7.226 1.00 0.00 C ATOM 452 CD PRO A 30 6.408 -14.670 -5.758 1.00 0.00 C ATOM 0 HA PRO A 30 5.811 -11.441 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.988 -12.720 -7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.650 -12.257 -7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.443 -14.955 -7.667 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.134 -14.510 -7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.779 -15.510 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.439 -14.955 -5.550 1.00 0.00 H new ATOM 460 N HIS A 31 3.442 -13.234 -4.819 1.00 0.00 N ATOM 461 CA HIS A 31 2.022 -13.271 -4.517 1.00 0.00 C ATOM 462 C HIS A 31 1.816 -13.727 -3.071 1.00 0.00 C ATOM 463 O HIS A 31 1.173 -14.746 -2.823 1.00 0.00 O ATOM 464 CB HIS A 31 1.274 -14.145 -5.526 1.00 0.00 C ATOM 465 CG HIS A 31 -0.066 -13.590 -5.946 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.276 -12.984 -7.172 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.262 -13.556 -5.290 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.544 -12.606 -7.240 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.153 -12.961 -6.073 1.00 0.00 N ATOM 0 H HIS A 31 4.003 -13.920 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 31 1.601 -12.270 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.896 -14.273 -6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.126 -15.135 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.451 -13.947 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.013 -12.105 -8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.132 -12.796 -5.840 1.00 0.00 H new ATOM 477 N VAL A 32 2.374 -12.950 -2.154 1.00 0.00 N ATOM 478 CA VAL A 32 2.260 -13.261 -0.739 1.00 0.00 C ATOM 479 C VAL A 32 2.476 -11.986 0.078 1.00 0.00 C ATOM 480 O VAL A 32 3.584 -11.722 0.543 1.00 0.00 O ATOM 481 CB VAL A 32 3.235 -14.380 -0.369 1.00 0.00 C ATOM 482 CG1 VAL A 32 3.325 -14.549 1.149 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.841 -15.696 -1.045 1.00 0.00 C ATOM 0 H VAL A 32 2.906 -12.106 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 32 1.260 -13.630 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 32 4.223 -14.098 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.025 -15.351 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.674 -13.619 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.341 -14.798 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.550 -16.475 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.840 -15.984 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.852 -15.567 -2.127 1.00 0.00 H new ATOM 491 N PRO A 33 1.371 -11.207 0.231 1.00 0.00 N ATOM 492 CA PRO A 33 1.429 -9.966 0.984 1.00 0.00 C ATOM 493 C PRO A 33 1.488 -10.239 2.488 1.00 0.00 C ATOM 494 O PRO A 33 1.078 -11.305 2.946 1.00 0.00 O ATOM 495 CB PRO A 33 0.187 -9.195 0.568 1.00 0.00 C ATOM 496 CG PRO A 33 -0.755 -10.221 -0.042 1.00 0.00 C ATOM 497 CD PRO A 33 0.043 -11.487 -0.306 1.00 0.00 C ATOM 0 HA PRO A 33 2.329 -9.388 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.273 -8.703 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.434 -8.415 -0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.585 -10.427 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.185 -9.841 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.409 -12.349 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.086 -11.713 -1.371 1.00 0.00 H new ATOM 505 N VAL A 34 2.001 -9.258 3.216 1.00 0.00 N ATOM 506 CA VAL A 34 2.119 -9.379 4.659 1.00 0.00 C ATOM 507 C VAL A 34 0.936 -8.673 5.324 1.00 0.00 C ATOM 508 O VAL A 34 0.328 -9.210 6.249 1.00 0.00 O ATOM 509 CB VAL A 34 3.474 -8.839 5.121 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.586 -7.337 4.852 1.00 0.00 C ATOM 511 CG2 VAL A 34 3.714 -9.151 6.599 1.00 0.00 C ATOM 0 H VAL A 34 2.340 -8.375 2.833 1.00 0.00 H new ATOM 0 HA VAL A 34 2.083 -10.426 4.958 1.00 0.00 H new ATOM 0 HB VAL A 34 4.250 -9.342 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.558 -6.978 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.481 -7.150 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.798 -6.811 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.684 -8.756 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.931 -8.689 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.698 -10.230 6.750 1.00 0.00 H new ATOM 519 N LYS A 35 0.644 -7.480 4.827 1.00 0.00 N ATOM 520 CA LYS A 35 -0.456 -6.695 5.361 1.00 0.00 C ATOM 521 C LYS A 35 -0.627 -5.428 4.521 1.00 0.00 C ATOM 522 O LYS A 35 0.255 -5.071 3.743 1.00 0.00 O ATOM 523 CB LYS A 35 -0.244 -6.421 6.851 1.00 0.00 C ATOM 524 CG LYS A 35 0.910 -5.441 7.070 1.00 0.00 C ATOM 525 CD LYS A 35 0.387 -4.020 7.292 1.00 0.00 C ATOM 526 CE LYS A 35 1.454 -3.140 7.947 1.00 0.00 C ATOM 527 NZ LYS A 35 1.699 -3.572 9.340 1.00 0.00 N ATOM 0 H LYS A 35 1.150 -7.038 4.060 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.390 -7.252 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.158 -6.014 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.035 -7.356 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.500 -5.754 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.575 -5.457 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.087 -3.586 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.502 -4.050 7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.380 -3.195 7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.133 -2.099 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.115 -2.786 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.800 -3.855 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.355 -4.379 9.343 1.00 0.00 H new ATOM 540 N ARG A 36 -1.767 -4.753 4.684 1.00 0.00 N ATOM 541 CA ARG A 36 -2.049 -3.538 3.946 1.00 0.00 C ATOM 542 C ARG A 36 -2.514 -2.450 4.903 1.00 0.00 C ATOM 543 O ARG A 36 -2.766 -2.718 6.076 1.00 0.00 O ATOM 544 CB ARG A 36 -3.114 -3.821 2.891 1.00 0.00 C ATOM 545 CG ARG A 36 -2.541 -4.752 1.826 1.00 0.00 C ATOM 546 CD ARG A 36 -3.396 -4.670 0.565 1.00 0.00 C ATOM 547 NE ARG A 36 -4.573 -5.533 0.672 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.553 -6.832 0.344 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.421 -7.393 -0.103 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.665 -7.571 0.463 1.00 0.00 N ATOM 0 H ARG A 36 -2.508 -5.036 5.326 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.144 -3.192 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.989 -4.277 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.445 -2.888 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.512 -4.473 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.519 -5.777 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.710 -3.639 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.803 -4.964 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.446 -5.128 1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.575 -6.831 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.406 -8.382 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.527 -7.144 0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.649 -8.560 0.213 1.00 0.00 H new ATOM 564 N GLY A 37 -2.615 -1.240 4.371 1.00 0.00 N ATOM 565 CA GLY A 37 -3.049 -0.106 5.169 1.00 0.00 C ATOM 566 C GLY A 37 -3.182 1.151 4.307 1.00 0.00 C ATOM 567 O GLY A 37 -3.073 1.084 3.084 1.00 0.00 O ATOM 0 H GLY A 37 -2.404 -1.021 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.006 -0.332 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.334 0.073 5.972 1.00 0.00 H new ATOM 571 N CYS A 38 -3.417 2.269 4.980 1.00 0.00 N ATOM 572 CA CYS A 38 -3.567 3.539 4.291 1.00 0.00 C ATOM 573 C CYS A 38 -2.486 4.494 4.803 1.00 0.00 C ATOM 574 O CYS A 38 -2.122 4.453 5.977 1.00 0.00 O ATOM 575 CB CYS A 38 -4.971 4.118 4.471 1.00 0.00 C ATOM 576 SG CYS A 38 -6.267 3.320 3.454 1.00 0.00 S ATOM 0 H CYS A 38 -3.507 2.321 5.995 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.441 3.391 3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.251 4.035 5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.944 5.181 4.231 1.00 0.00 H new ATOM 581 N ILE A 39 -2.003 5.331 3.897 1.00 0.00 N ATOM 582 CA ILE A 39 -0.971 6.294 4.242 1.00 0.00 C ATOM 583 C ILE A 39 -1.130 7.540 3.368 1.00 0.00 C ATOM 584 O ILE A 39 -2.017 7.597 2.518 1.00 0.00 O ATOM 585 CB ILE A 39 0.414 5.651 4.151 1.00 0.00 C ATOM 586 CG1 ILE A 39 1.326 6.152 5.272 1.00 0.00 C ATOM 587 CG2 ILE A 39 1.031 5.872 2.768 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.365 5.157 6.434 1.00 0.00 C ATOM 0 H ILE A 39 -2.307 5.362 2.924 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.080 6.615 5.278 1.00 0.00 H new ATOM 0 HB ILE A 39 0.301 4.575 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.334 6.304 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.972 7.119 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.015 5.405 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.389 5.427 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.129 6.941 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.021 5.538 7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.360 5.026 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.743 4.198 6.079 1.00 0.00 H new ATOM 598 N ASP A 40 -0.266 8.534 3.582 1.00 0.00 N ATOM 599 CA ASP A 40 -0.314 9.766 2.820 1.00 0.00 C ATOM 600 C ASP A 40 0.940 9.891 1.966 1.00 0.00 C ATOM 601 O ASP A 40 0.879 10.383 0.841 1.00 0.00 O ATOM 602 CB ASP A 40 -0.438 10.949 3.776 1.00 0.00 C ATOM 603 CG ASP A 40 0.622 10.881 4.867 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.587 9.891 5.630 1.00 0.00 O ATOM 605 OD2 ASP A 40 1.446 11.819 4.917 1.00 0.00 O ATOM 0 H ASP A 40 0.475 8.501 4.282 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.181 9.758 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.335 11.882 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.430 10.954 4.227 1.00 0.00 H new ATOM 611 N VAL A 41 2.051 9.439 2.530 1.00 0.00 N ATOM 612 CA VAL A 41 3.322 9.495 1.828 1.00 0.00 C ATOM 613 C VAL A 41 3.811 8.072 1.552 1.00 0.00 C ATOM 614 O VAL A 41 3.693 7.195 2.406 1.00 0.00 O ATOM 615 CB VAL A 41 4.325 10.328 2.629 1.00 0.00 C ATOM 616 CG1 VAL A 41 4.621 9.677 3.982 1.00 0.00 C ATOM 617 CG2 VAL A 41 5.613 10.549 1.833 1.00 0.00 C ATOM 0 H VAL A 41 2.097 9.033 3.464 1.00 0.00 H new ATOM 0 HA VAL A 41 3.205 9.990 0.864 1.00 0.00 H new ATOM 0 HB VAL A 41 3.876 11.303 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.336 10.289 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.698 9.595 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.040 8.683 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.309 11.144 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.066 9.586 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.383 11.075 0.907 1.00 0.00 H new ATOM 625 N CYS A 42 4.350 7.888 0.356 1.00 0.00 N ATOM 626 CA CYS A 42 4.858 6.586 -0.043 1.00 0.00 C ATOM 627 C CYS A 42 6.303 6.464 0.445 1.00 0.00 C ATOM 628 O CYS A 42 7.158 7.267 0.073 1.00 0.00 O ATOM 629 CB CYS A 42 4.747 6.375 -1.555 1.00 0.00 C ATOM 630 SG CYS A 42 4.639 4.625 -2.079 1.00 0.00 S ATOM 0 H CYS A 42 4.446 8.618 -0.350 1.00 0.00 H new ATOM 0 HA CYS A 42 4.254 5.802 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.865 6.903 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.612 6.831 -2.036 1.00 0.00 H new ATOM 635 N PRO A 43 6.537 5.426 1.292 1.00 0.00 N ATOM 636 CA PRO A 43 7.864 5.189 1.835 1.00 0.00 C ATOM 637 C PRO A 43 8.788 4.579 0.779 1.00 0.00 C ATOM 638 O PRO A 43 8.321 4.064 -0.236 1.00 0.00 O ATOM 639 CB PRO A 43 7.642 4.274 3.029 1.00 0.00 C ATOM 640 CG PRO A 43 6.265 3.661 2.834 1.00 0.00 C ATOM 641 CD PRO A 43 5.550 4.456 1.754 1.00 0.00 C ATOM 0 HA PRO A 43 8.364 6.108 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.410 3.502 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.692 4.833 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.351 2.614 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.700 3.688 3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.219 3.810 0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.663 4.951 2.149 1.00 0.00 H new ATOM 649 N LYS A 44 10.082 4.659 1.053 1.00 0.00 N ATOM 650 CA LYS A 44 11.075 4.121 0.139 1.00 0.00 C ATOM 651 C LYS A 44 10.945 2.598 0.089 1.00 0.00 C ATOM 652 O LYS A 44 10.589 1.969 1.084 1.00 0.00 O ATOM 653 CB LYS A 44 12.474 4.607 0.523 1.00 0.00 C ATOM 654 CG LYS A 44 13.493 4.256 -0.563 1.00 0.00 C ATOM 655 CD LYS A 44 14.199 5.512 -1.079 1.00 0.00 C ATOM 656 CE LYS A 44 14.712 5.305 -2.506 1.00 0.00 C ATOM 657 NZ LYS A 44 14.698 6.583 -3.252 1.00 0.00 N ATOM 0 H LYS A 44 10.466 5.088 1.895 1.00 0.00 H new ATOM 0 HA LYS A 44 10.901 4.488 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.459 5.686 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.774 4.154 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.229 3.559 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.991 3.752 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.510 6.356 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.032 5.761 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.725 4.903 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.091 4.571 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.049 6.425 -4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.726 6.951 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.309 7.273 -2.770 1.00 0.00 H new ATOM 670 N SER A 45 11.240 2.049 -1.080 1.00 0.00 N ATOM 671 CA SER A 45 11.160 0.611 -1.273 1.00 0.00 C ATOM 672 C SER A 45 12.540 -0.021 -1.077 1.00 0.00 C ATOM 673 O SER A 45 13.543 0.514 -1.547 1.00 0.00 O ATOM 674 CB SER A 45 10.613 0.270 -2.660 1.00 0.00 C ATOM 675 OG SER A 45 9.193 0.153 -2.660 1.00 0.00 O ATOM 0 H SER A 45 11.535 2.574 -1.903 1.00 0.00 H new ATOM 0 HA SER A 45 10.472 0.205 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.913 1.043 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.054 -0.666 -3.004 1.00 0.00 H new ATOM 0 HG SER A 45 8.883 -0.064 -3.564 1.00 0.00 H new ATOM 681 N SER A 46 12.546 -1.149 -0.383 1.00 0.00 N ATOM 682 CA SER A 46 13.786 -1.859 -0.119 1.00 0.00 C ATOM 683 C SER A 46 13.800 -3.187 -0.878 1.00 0.00 C ATOM 684 O SER A 46 12.801 -3.570 -1.486 1.00 0.00 O ATOM 685 CB SER A 46 13.973 -2.103 1.380 1.00 0.00 C ATOM 686 OG SER A 46 13.060 -3.075 1.881 1.00 0.00 O ATOM 0 H SER A 46 11.712 -1.589 0.005 1.00 0.00 H new ATOM 0 HA SER A 46 14.614 -1.241 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.994 -2.434 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.837 -1.166 1.920 1.00 0.00 H new ATOM 0 HG SER A 46 12.303 -3.161 1.264 1.00 0.00 H new ATOM 692 N LEU A 47 14.944 -3.854 -0.819 1.00 0.00 N ATOM 693 CA LEU A 47 15.101 -5.131 -1.494 1.00 0.00 C ATOM 694 C LEU A 47 14.322 -6.205 -0.732 1.00 0.00 C ATOM 695 O LEU A 47 13.615 -7.010 -1.336 1.00 0.00 O ATOM 696 CB LEU A 47 16.584 -5.461 -1.678 1.00 0.00 C ATOM 697 CG LEU A 47 17.295 -4.739 -2.824 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.755 -4.451 -2.470 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.166 -5.524 -4.131 1.00 0.00 C ATOM 0 H LEU A 47 15.770 -3.534 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 47 14.681 -5.085 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.105 -5.228 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.680 -6.535 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 47 16.806 -3.777 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.237 -3.937 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.796 -3.821 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.274 -5.389 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.680 -4.989 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.614 -6.510 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.112 -5.633 -4.387 1.00 0.00 H new ATOM 709 N LEU A 48 14.479 -6.182 0.584 1.00 0.00 N ATOM 710 CA LEU A 48 13.799 -7.144 1.435 1.00 0.00 C ATOM 711 C LEU A 48 12.288 -7.029 1.221 1.00 0.00 C ATOM 712 O LEU A 48 11.657 -7.958 0.719 1.00 0.00 O ATOM 713 CB LEU A 48 14.229 -6.968 2.892 1.00 0.00 C ATOM 714 CG LEU A 48 13.926 -8.140 3.828 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.126 -9.084 3.931 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.469 -7.642 5.200 1.00 0.00 C ATOM 0 H LEU A 48 15.067 -5.513 1.081 1.00 0.00 H new ATOM 0 HA LEU A 48 14.083 -8.161 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.303 -6.781 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.742 -6.077 3.289 1.00 0.00 H new ATOM 0 HG LEU A 48 13.102 -8.712 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.884 -9.908 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.364 -9.478 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.985 -8.539 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.260 -8.495 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.255 -7.033 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.566 -7.043 5.087 1.00 0.00 H new ATOM 726 N VAL A 49 11.753 -5.882 1.613 1.00 0.00 N ATOM 727 CA VAL A 49 10.328 -5.634 1.471 1.00 0.00 C ATOM 728 C VAL A 49 10.110 -4.507 0.459 1.00 0.00 C ATOM 729 O VAL A 49 11.002 -3.691 0.231 1.00 0.00 O ATOM 730 CB VAL A 49 9.710 -5.338 2.838 1.00 0.00 C ATOM 731 CG1 VAL A 49 8.210 -5.061 2.713 1.00 0.00 C ATOM 732 CG2 VAL A 49 9.976 -6.482 3.820 1.00 0.00 C ATOM 0 H VAL A 49 12.280 -5.114 2.029 1.00 0.00 H new ATOM 0 HA VAL A 49 9.822 -6.519 1.086 1.00 0.00 H new ATOM 0 HB VAL A 49 10.185 -4.440 3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.795 -4.853 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.052 -4.200 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.713 -5.932 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.526 -6.246 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.541 -7.403 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.051 -6.613 3.944 1.00 0.00 H new ATOM 740 N LYS A 50 8.919 -4.498 -0.120 1.00 0.00 N ATOM 741 CA LYS A 50 8.572 -3.485 -1.102 1.00 0.00 C ATOM 742 C LYS A 50 7.173 -2.945 -0.798 1.00 0.00 C ATOM 743 O LYS A 50 6.341 -3.650 -0.229 1.00 0.00 O ATOM 744 CB LYS A 50 8.722 -4.039 -2.520 1.00 0.00 C ATOM 745 CG LYS A 50 9.932 -3.421 -3.225 1.00 0.00 C ATOM 746 CD LYS A 50 9.783 -3.505 -4.745 1.00 0.00 C ATOM 747 CE LYS A 50 8.658 -2.592 -5.237 1.00 0.00 C ATOM 748 NZ LYS A 50 9.173 -1.625 -6.232 1.00 0.00 N ATOM 0 H LYS A 50 8.182 -5.176 0.072 1.00 0.00 H new ATOM 0 HA LYS A 50 9.261 -2.642 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.834 -5.123 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.818 -3.832 -3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.040 -2.379 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.841 -3.938 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.721 -3.222 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.575 -4.534 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.863 -3.191 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.221 -2.057 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.397 -1.013 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.916 -1.041 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.569 -2.140 -7.044 1.00 0.00 H new ATOM 761 N TYR A 51 6.957 -1.698 -1.192 1.00 0.00 N ATOM 762 CA TYR A 51 5.673 -1.055 -0.969 1.00 0.00 C ATOM 763 C TYR A 51 5.156 -0.404 -2.253 1.00 0.00 C ATOM 764 O TYR A 51 5.941 0.052 -3.082 1.00 0.00 O ATOM 765 CB TYR A 51 5.923 0.034 0.076 1.00 0.00 C ATOM 766 CG TYR A 51 6.882 -0.383 1.192 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.665 -1.556 1.887 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.965 0.413 1.505 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.569 -1.949 2.937 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.869 0.021 2.555 1.00 0.00 C ATOM 771 CZ TYR A 51 8.626 -1.141 3.220 1.00 0.00 C ATOM 772 OH TYR A 51 9.479 -1.512 4.212 1.00 0.00 O ATOM 0 H TYR A 51 7.649 -1.116 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 51 4.930 -1.783 -0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.324 0.916 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.970 0.324 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.817 -2.179 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.135 1.331 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.411 -2.865 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.720 0.635 2.809 1.00 0.00 H new ATOM 0 HH TYR A 51 10.187 -0.841 4.303 1.00 0.00 H new ATOM 782 N VAL A 52 3.837 -0.381 -2.377 1.00 0.00 N ATOM 783 CA VAL A 52 3.205 0.207 -3.546 1.00 0.00 C ATOM 784 C VAL A 52 2.062 1.120 -3.098 1.00 0.00 C ATOM 785 O VAL A 52 1.211 0.713 -2.309 1.00 0.00 O ATOM 786 CB VAL A 52 2.749 -0.895 -4.505 1.00 0.00 C ATOM 787 CG1 VAL A 52 1.811 -0.337 -5.576 1.00 0.00 C ATOM 788 CG2 VAL A 52 3.950 -1.600 -5.141 1.00 0.00 C ATOM 0 H VAL A 52 3.188 -0.760 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 52 3.917 0.823 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 52 2.194 -1.634 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.502 -1.141 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.932 0.097 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.329 0.432 -6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.598 -2.379 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.544 -0.876 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.564 -2.049 -4.360 1.00 0.00 H new ATOM 796 N CYS A 53 2.080 2.337 -3.621 1.00 0.00 N ATOM 797 CA CYS A 53 1.055 3.311 -3.285 1.00 0.00 C ATOM 798 C CYS A 53 0.338 3.718 -4.573 1.00 0.00 C ATOM 799 O CYS A 53 0.866 3.530 -5.668 1.00 0.00 O ATOM 800 CB CYS A 53 1.642 4.519 -2.552 1.00 0.00 C ATOM 801 SG CYS A 53 2.813 4.107 -1.208 1.00 0.00 S ATOM 0 H CYS A 53 2.788 2.671 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 53 0.337 2.865 -2.597 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.152 5.154 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.824 5.106 -2.135 1.00 0.00 H new ATOM 806 N CYS A 54 -0.855 4.268 -4.400 1.00 0.00 N ATOM 807 CA CYS A 54 -1.650 4.703 -5.536 1.00 0.00 C ATOM 808 C CYS A 54 -2.827 5.528 -5.011 1.00 0.00 C ATOM 809 O CYS A 54 -3.100 5.534 -3.811 1.00 0.00 O ATOM 810 CB CYS A 54 -2.118 3.520 -6.386 1.00 0.00 C ATOM 811 SG CYS A 54 -2.211 1.924 -5.495 1.00 0.00 S ATOM 0 H CYS A 54 -1.290 4.422 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.039 5.320 -6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.102 3.750 -6.794 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.441 3.408 -7.233 1.00 0.00 H new ATOM 816 N ASN A 55 -3.492 6.206 -5.934 1.00 0.00 N ATOM 817 CA ASN A 55 -4.633 7.033 -5.579 1.00 0.00 C ATOM 818 C ASN A 55 -5.830 6.645 -6.450 1.00 0.00 C ATOM 819 O ASN A 55 -6.348 7.469 -7.202 1.00 0.00 O ATOM 820 CB ASN A 55 -4.335 8.514 -5.818 1.00 0.00 C ATOM 821 CG ASN A 55 -3.783 8.742 -7.227 1.00 0.00 C ATOM 822 OD1 ASN A 55 -4.508 9.020 -8.168 1.00 0.00 O ATOM 823 ND2 ASN A 55 -2.463 8.610 -7.319 1.00 0.00 N ATOM 0 H ASN A 55 -3.263 6.200 -6.928 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.849 6.874 -4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.245 9.098 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.615 8.867 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.999 8.743 -8.217 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.915 8.376 -6.491 1.00 0.00 H new ATOM 830 N THR A 56 -6.233 5.389 -6.320 1.00 0.00 N ATOM 831 CA THR A 56 -7.359 4.882 -7.086 1.00 0.00 C ATOM 832 C THR A 56 -8.211 3.947 -6.226 1.00 0.00 C ATOM 833 O THR A 56 -7.698 3.291 -5.321 1.00 0.00 O ATOM 834 CB THR A 56 -6.810 4.214 -8.348 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.767 3.370 -7.868 1.00 0.00 O ATOM 836 CG2 THR A 56 -6.093 5.204 -9.270 1.00 0.00 C ATOM 0 H THR A 56 -5.800 4.708 -5.696 1.00 0.00 H new ATOM 0 HA THR A 56 -8.025 5.689 -7.391 1.00 0.00 H new ATOM 0 HB THR A 56 -7.626 3.738 -8.891 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.357 2.896 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.723 4.679 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.789 5.984 -9.579 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.256 5.656 -8.738 1.00 0.00 H new ATOM 843 N ASP A 57 -9.513 3.891 -6.513 1.00 0.00 N ATOM 844 CA ASP A 57 -10.425 3.044 -5.770 1.00 0.00 C ATOM 845 C ASP A 57 -10.068 1.581 -5.995 1.00 0.00 C ATOM 846 O ASP A 57 -10.093 1.102 -7.127 1.00 0.00 O ATOM 847 CB ASP A 57 -11.857 3.326 -6.216 1.00 0.00 C ATOM 848 CG ASP A 57 -12.530 4.321 -5.281 1.00 0.00 C ATOM 849 OD1 ASP A 57 -11.982 4.523 -4.176 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.581 4.861 -5.690 1.00 0.00 O ATOM 0 H ASP A 57 -9.953 4.428 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.341 3.258 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.855 3.720 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.426 2.397 -6.235 1.00 0.00 H new ATOM 856 N LYS A 58 -9.742 0.908 -4.901 1.00 0.00 N ATOM 857 CA LYS A 58 -9.379 -0.497 -4.968 1.00 0.00 C ATOM 858 C LYS A 58 -8.067 -0.644 -5.740 1.00 0.00 C ATOM 859 O LYS A 58 -7.987 -1.417 -6.694 1.00 0.00 O ATOM 860 CB LYS A 58 -10.530 -1.321 -5.548 1.00 0.00 C ATOM 861 CG LYS A 58 -10.832 -2.536 -4.670 1.00 0.00 C ATOM 862 CD LYS A 58 -11.640 -3.583 -5.440 1.00 0.00 C ATOM 863 CE LYS A 58 -13.013 -3.797 -4.798 1.00 0.00 C ATOM 864 NZ LYS A 58 -13.558 -5.121 -5.172 1.00 0.00 N ATOM 0 H LYS A 58 -9.722 1.310 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.207 -0.894 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.421 -0.699 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.275 -1.650 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.899 -2.977 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.387 -2.221 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.764 -3.263 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.094 -4.526 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.929 -3.724 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.697 -3.011 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.490 -5.251 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.656 -5.177 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.912 -5.867 -4.845 1.00 0.00 H new ATOM 877 N CYS A 59 -7.071 0.110 -5.300 1.00 0.00 N ATOM 878 CA CYS A 59 -5.766 0.074 -5.939 1.00 0.00 C ATOM 879 C CYS A 59 -4.891 -0.932 -5.187 1.00 0.00 C ATOM 880 O CYS A 59 -4.236 -1.772 -5.802 1.00 0.00 O ATOM 881 CB CYS A 59 -5.123 1.461 -5.992 1.00 0.00 C ATOM 882 SG CYS A 59 -3.973 1.828 -4.617 1.00 0.00 S ATOM 0 H CYS A 59 -7.141 0.750 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.875 -0.243 -6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.584 1.560 -6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.913 2.212 -5.996 1.00 0.00 H new ATOM 887 N ASN A 60 -4.909 -0.813 -3.868 1.00 0.00 N ATOM 888 CA ASN A 60 -4.126 -1.701 -3.026 1.00 0.00 C ATOM 889 C ASN A 60 -4.921 -2.982 -2.765 1.00 0.00 C ATOM 890 O ASN A 60 -4.849 -3.931 -3.545 1.00 0.00 O ATOM 891 CB ASN A 60 -3.820 -1.051 -1.675 1.00 0.00 C ATOM 892 CG ASN A 60 -5.019 -1.159 -0.730 1.00 0.00 C ATOM 893 OD1 ASN A 60 -6.149 -1.367 -1.141 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.711 -1.006 0.554 1.00 0.00 N ATOM 0 H ASN A 60 -5.454 -0.115 -3.361 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.191 -1.918 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.952 -1.533 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.562 -0.002 -1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.442 -1.060 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.744 -0.834 0.830 1.00 0.00 H new