USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.0284 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 8 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.8! C(o=-12!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-3.2!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.57) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.32) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -13.576 12.491 -9.503 1.00 9.58 N ATOM 2 CA GLU A 4 -13.641 12.852 -8.055 1.00 9.09 C ATOM 3 C GLU A 4 -12.239 13.215 -7.548 1.00 8.06 C ATOM 4 O GLU A 4 -11.243 12.932 -8.190 1.00 8.10 O ATOM 5 CB GLU A 4 -14.183 11.663 -7.249 1.00 9.77 C ATOM 6 CG GLU A 4 -15.060 12.176 -6.100 1.00 10.24 C ATOM 7 CD GLU A 4 -15.601 10.991 -5.296 1.00 11.04 C ATOM 8 OE1 GLU A 4 -16.591 10.415 -5.718 1.00 11.36 O ATOM 9 OE2 GLU A 4 -15.019 10.682 -4.270 1.00 11.49 O ATOM 0 HA GLU A 4 -14.304 13.708 -7.930 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -14.763 11.006 -7.897 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -13.357 11.072 -6.853 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -14.480 12.833 -5.452 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -15.886 12.767 -6.496 1.00 10.24 H new ATOM 16 N LEU A 5 -12.158 13.832 -6.394 1.00 7.36 N ATOM 17 CA LEU A 5 -10.826 14.213 -5.827 1.00 6.53 C ATOM 18 C LEU A 5 -10.783 13.849 -4.340 1.00 6.17 C ATOM 19 O LEU A 5 -10.317 14.608 -3.512 1.00 6.61 O ATOM 20 CB LEU A 5 -10.553 15.725 -6.015 1.00 6.34 C ATOM 21 CG LEU A 5 -11.798 16.599 -5.722 1.00 7.26 C ATOM 22 CD1 LEU A 5 -12.840 16.430 -6.831 1.00 7.60 C ATOM 23 CD2 LEU A 5 -12.423 16.229 -4.367 1.00 7.86 C ATOM 0 H LEU A 5 -12.960 14.089 -5.818 1.00 7.36 H new ATOM 0 HA LEU A 5 -10.050 13.664 -6.360 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.739 16.028 -5.356 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -10.220 15.905 -7.037 1.00 6.34 H new ATOM 0 HG LEU A 5 -11.476 17.640 -5.686 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -13.709 17.050 -6.611 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -12.409 16.734 -7.785 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -13.145 15.385 -6.888 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -13.295 16.857 -4.185 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -12.726 15.182 -4.380 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -11.692 16.385 -3.574 1.00 7.86 H new ATOM 35 N ARG A 6 -11.269 12.688 -3.998 1.00 5.61 N ATOM 36 CA ARG A 6 -11.266 12.264 -2.575 1.00 5.48 C ATOM 37 C ARG A 6 -10.325 11.076 -2.385 1.00 4.69 C ATOM 38 O ARG A 6 -9.741 10.565 -3.324 1.00 4.64 O ATOM 39 CB ARG A 6 -12.681 11.852 -2.169 1.00 6.06 C ATOM 40 CG ARG A 6 -13.471 13.084 -1.719 1.00 6.84 C ATOM 41 CD ARG A 6 -13.229 13.328 -0.228 1.00 7.76 C ATOM 42 NE ARG A 6 -13.773 14.662 0.154 1.00 8.57 N ATOM 43 CZ ARG A 6 -14.851 14.744 0.890 1.00 9.27 C ATOM 44 NH1 ARG A 6 -14.787 14.488 2.173 1.00 9.77 N ATOM 45 NH2 ARG A 6 -15.991 15.081 0.343 1.00 9.70 N ATOM 0 H ARG A 6 -11.670 12.013 -4.649 1.00 5.61 H new ATOM 0 HA ARG A 6 -10.926 13.094 -1.956 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -13.185 11.372 -3.008 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -12.639 11.121 -1.362 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -13.164 13.957 -2.296 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -14.535 12.936 -1.906 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -13.708 12.546 0.361 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -12.162 13.283 -0.010 1.00 7.76 H new ATOM 0 HE ARG A 6 -13.304 15.512 -0.159 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -13.897 14.225 2.597 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -15.627 14.552 2.748 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -16.038 15.279 -0.656 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -16.832 15.145 0.916 1.00 9.70 H new ATOM 59 N CYS A 7 -10.188 10.635 -1.165 1.00 4.47 N ATOM 60 CA CYS A 7 -9.304 9.477 -0.863 1.00 4.05 C ATOM 61 C CYS A 7 -10.115 8.185 -0.990 1.00 4.38 C ATOM 62 O CYS A 7 -11.016 7.929 -0.212 1.00 4.93 O ATOM 63 CB CYS A 7 -8.768 9.615 0.562 1.00 4.32 C ATOM 64 SG CYS A 7 -7.983 11.237 0.765 1.00 4.79 S ATOM 0 H CYS A 7 -10.659 11.035 -0.353 1.00 4.47 H new ATOM 0 HA CYS A 7 -8.468 9.450 -1.562 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -9.581 9.501 1.279 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -8.048 8.823 0.768 1.00 4.32 H new ATOM 69 N GLN A 8 -9.802 7.373 -1.973 1.00 4.51 N ATOM 70 CA GLN A 8 -10.546 6.093 -2.168 1.00 5.30 C ATOM 71 C GLN A 8 -10.328 5.163 -0.965 1.00 5.47 C ATOM 72 O GLN A 8 -11.141 4.299 -0.691 1.00 6.21 O ATOM 73 CB GLN A 8 -10.041 5.407 -3.442 1.00 5.63 C ATOM 74 CG GLN A 8 -10.504 6.194 -4.674 1.00 6.22 C ATOM 75 CD GLN A 8 -12.023 6.067 -4.828 1.00 7.21 C ATOM 76 OE1 GLN A 8 -12.516 5.053 -5.282 1.00 7.78 O ATOM 77 NE2 GLN A 8 -12.790 7.062 -4.468 1.00 7.68 N ATOM 0 H GLN A 8 -9.059 7.545 -2.650 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.611 6.308 -2.259 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.953 5.346 -3.426 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -10.417 4.385 -3.489 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -10.226 7.243 -4.573 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -10.006 5.817 -5.567 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -12.376 7.913 -4.087 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -13.802 6.988 -4.568 1.00 7.68 H new ATOM 86 N CYS A 9 -9.242 5.334 -0.243 1.00 5.04 N ATOM 87 CA CYS A 9 -8.978 4.465 0.943 1.00 5.45 C ATOM 88 C CYS A 9 -8.760 5.325 2.189 1.00 5.99 C ATOM 89 O CYS A 9 -7.701 5.893 2.384 1.00 6.13 O ATOM 90 CB CYS A 9 -7.728 3.610 0.690 1.00 5.08 C ATOM 91 SG CYS A 9 -8.219 1.922 0.254 1.00 5.12 S ATOM 0 H CYS A 9 -8.529 6.040 -0.428 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.839 3.816 1.102 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -7.135 4.045 -0.114 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.098 3.597 1.580 1.00 5.08 H new ATOM 96 N ILE A 10 -9.746 5.402 3.052 1.00 6.61 N ATOM 97 CA ILE A 10 -9.582 6.197 4.310 1.00 7.44 C ATOM 98 C ILE A 10 -8.503 5.514 5.166 1.00 7.48 C ATOM 99 O ILE A 10 -7.728 6.162 5.845 1.00 8.16 O ATOM 100 CB ILE A 10 -10.912 6.244 5.078 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.991 6.891 4.199 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.743 7.071 6.357 1.00 9.31 C ATOM 103 CD1 ILE A 10 -13.026 5.839 3.790 1.00 9.47 C ATOM 0 H ILE A 10 -10.654 4.950 2.940 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.286 7.220 4.076 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.210 5.228 5.338 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.478 7.701 4.742 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.535 7.330 3.312 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.689 7.101 6.898 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.979 6.615 6.987 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.441 8.086 6.097 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.790 6.303 3.166 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.534 5.043 3.230 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.492 5.420 4.682 1.00 9.47 H new ATOM 115 N LYS A 11 -8.440 4.203 5.102 1.00 6.93 N ATOM 116 CA LYS A 11 -7.410 3.437 5.862 1.00 7.15 C ATOM 117 C LYS A 11 -6.528 2.694 4.851 1.00 6.42 C ATOM 118 O LYS A 11 -6.840 2.645 3.675 1.00 6.35 O ATOM 119 CB LYS A 11 -8.097 2.425 6.787 1.00 8.05 C ATOM 120 CG LYS A 11 -8.646 3.139 8.025 1.00 8.65 C ATOM 121 CD LYS A 11 -10.063 3.648 7.740 1.00 9.04 C ATOM 122 CE LYS A 11 -10.924 3.505 8.998 1.00 9.50 C ATOM 123 NZ LYS A 11 -10.747 4.705 9.867 1.00 9.69 N ATOM 0 H LYS A 11 -9.071 3.627 4.545 1.00 6.93 H new ATOM 0 HA LYS A 11 -6.806 4.113 6.468 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.907 1.925 6.256 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -7.388 1.653 7.086 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -8.658 2.457 8.875 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -7.997 3.972 8.294 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -10.029 4.692 7.427 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -10.505 3.083 6.919 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -11.973 3.395 8.722 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -10.642 2.604 9.543 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -11.333 4.605 10.720 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -9.747 4.791 10.141 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -11.037 5.557 9.346 1.00 9.69 H new ATOM 137 N THR A 12 -5.431 2.120 5.282 1.00 6.02 N ATOM 138 CA THR A 12 -4.547 1.395 4.314 1.00 5.35 C ATOM 139 C THR A 12 -4.221 -0.014 4.800 1.00 5.31 C ATOM 140 O THR A 12 -4.639 -0.444 5.860 1.00 5.80 O ATOM 141 CB THR A 12 -3.238 2.161 4.098 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.024 3.088 5.157 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.303 2.891 2.761 1.00 5.32 C ATOM 0 H THR A 12 -5.111 2.121 6.251 1.00 6.02 H new ATOM 0 HA THR A 12 -5.093 1.326 3.373 1.00 5.35 H new ATOM 0 HB THR A 12 -2.405 1.458 4.089 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.183 3.569 5.006 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.374 3.439 2.600 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.441 2.167 1.958 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.140 3.589 2.768 1.00 5.32 H new ATOM 151 N TYR A 13 -3.468 -0.732 4.004 1.00 4.96 N ATOM 152 CA TYR A 13 -3.081 -2.120 4.356 1.00 5.03 C ATOM 153 C TYR A 13 -1.769 -2.095 5.144 1.00 5.08 C ATOM 154 O TYR A 13 -0.695 -1.978 4.580 1.00 4.67 O ATOM 155 CB TYR A 13 -2.901 -2.920 3.060 1.00 4.85 C ATOM 156 CG TYR A 13 -2.895 -4.396 3.344 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.692 -4.922 4.364 1.00 5.34 C ATOM 158 CD2 TYR A 13 -2.087 -5.234 2.575 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.680 -6.298 4.618 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.072 -6.611 2.825 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.867 -7.144 3.848 1.00 6.23 C ATOM 162 OH TYR A 13 -2.852 -8.501 4.098 1.00 6.84 O ATOM 0 H TYR A 13 -3.102 -0.403 3.111 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.852 -2.585 4.970 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.706 -2.682 2.365 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.967 -2.634 2.577 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.316 -4.268 4.955 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.474 -4.821 1.788 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.295 -6.708 5.405 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.448 -7.262 2.230 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.237 -8.942 3.475 1.00 6.84 H new ATOM 172 N SER A 14 -1.851 -2.205 6.447 1.00 5.82 N ATOM 173 CA SER A 14 -0.616 -2.197 7.287 1.00 6.06 C ATOM 174 C SER A 14 0.035 -3.581 7.249 1.00 6.51 C ATOM 175 O SER A 14 1.244 -3.701 7.309 1.00 6.88 O ATOM 176 CB SER A 14 -0.971 -1.838 8.733 1.00 6.42 C ATOM 177 OG SER A 14 0.192 -1.360 9.398 1.00 6.80 O ATOM 0 H SER A 14 -2.724 -2.300 6.966 1.00 5.82 H new ATOM 0 HA SER A 14 0.079 -1.455 6.895 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.752 -1.078 8.750 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.366 -2.712 9.250 1.00 6.42 H new ATOM 0 HG SER A 14 -0.032 -1.128 10.323 1.00 6.80 H new ATOM 183 N LYS A 15 -0.750 -4.629 7.139 1.00 6.59 N ATOM 184 CA LYS A 15 -0.157 -5.997 7.085 1.00 7.06 C ATOM 185 C LYS A 15 0.540 -6.172 5.730 1.00 6.32 C ATOM 186 O LYS A 15 0.027 -5.749 4.714 1.00 6.13 O ATOM 187 CB LYS A 15 -1.225 -7.086 7.237 1.00 7.75 C ATOM 188 CG LYS A 15 -2.448 -6.564 8.003 1.00 8.64 C ATOM 189 CD LYS A 15 -3.060 -7.695 8.837 1.00 9.43 C ATOM 190 CE LYS A 15 -3.812 -8.664 7.921 1.00 10.20 C ATOM 191 NZ LYS A 15 -4.428 -9.748 8.739 1.00 10.59 N ATOM 0 H LYS A 15 -1.768 -4.593 7.085 1.00 6.59 H new ATOM 0 HA LYS A 15 0.548 -6.099 7.910 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.533 -7.437 6.252 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.802 -7.942 7.763 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.157 -5.738 8.652 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.188 -6.174 7.303 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -2.277 -8.225 9.378 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -3.740 -7.283 9.583 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.583 -8.131 7.365 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -3.129 -9.092 7.187 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -4.939 -10.406 8.116 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.683 -10.263 9.250 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -5.093 -9.332 9.422 1.00 10.59 H new ATOM 205 N PRO A 16 1.699 -6.777 5.766 1.00 6.02 N ATOM 206 CA PRO A 16 2.522 -7.008 4.566 1.00 5.35 C ATOM 207 C PRO A 16 2.068 -8.266 3.818 1.00 5.50 C ATOM 208 O PRO A 16 1.371 -9.106 4.357 1.00 6.37 O ATOM 209 CB PRO A 16 3.925 -7.187 5.143 1.00 5.39 C ATOM 210 CG PRO A 16 3.746 -7.630 6.618 1.00 6.26 C ATOM 211 CD PRO A 16 2.298 -7.286 7.011 1.00 6.51 C ATOM 0 HA PRO A 16 2.456 -6.200 3.838 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.483 -7.935 4.579 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.490 -6.256 5.084 1.00 5.39 H new ATOM 0 HG2 PRO A 16 3.933 -8.698 6.727 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.455 -7.115 7.266 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.766 -8.163 7.380 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.267 -6.538 7.803 1.00 6.51 H new ATOM 219 N PHE A 17 2.468 -8.399 2.575 1.00 4.76 N ATOM 220 CA PHE A 17 2.071 -9.601 1.776 1.00 4.96 C ATOM 221 C PHE A 17 2.951 -9.721 0.518 1.00 4.78 C ATOM 222 O PHE A 17 3.647 -8.795 0.143 1.00 4.77 O ATOM 223 CB PHE A 17 0.575 -9.513 1.405 1.00 4.69 C ATOM 224 CG PHE A 17 0.332 -8.572 0.236 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.919 -7.299 0.204 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.504 -8.979 -0.813 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.676 -6.441 -0.875 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.747 -8.118 -1.890 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.158 -6.851 -1.921 1.00 2.38 C ATOM 0 H PHE A 17 3.053 -7.726 2.080 1.00 4.76 H new ATOM 0 HA PHE A 17 2.223 -10.498 2.376 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.205 -10.507 1.153 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.007 -9.171 2.270 1.00 4.69 H new ATOM 0 HD1 PHE A 17 1.559 -6.980 1.013 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -0.961 -9.957 -0.790 1.00 3.29 H new ATOM 0 HE1 PHE A 17 1.132 -5.462 -0.900 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -1.391 -8.433 -2.698 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.347 -6.188 -2.753 1.00 2.38 H new ATOM 239 N HIS A 18 2.932 -10.870 -0.119 1.00 4.92 N ATOM 240 CA HIS A 18 3.771 -11.089 -1.337 1.00 5.06 C ATOM 241 C HIS A 18 3.169 -10.321 -2.546 1.00 4.32 C ATOM 242 O HIS A 18 1.964 -10.253 -2.698 1.00 4.10 O ATOM 243 CB HIS A 18 3.859 -12.598 -1.571 1.00 5.95 C ATOM 244 CG HIS A 18 4.415 -12.870 -2.921 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.767 -13.031 -3.172 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.792 -12.997 -4.110 1.00 6.72 C ATOM 247 CE1 HIS A 18 5.898 -13.243 -4.493 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.721 -13.239 -5.102 1.00 7.07 N ATOM 0 H HIS A 18 2.365 -11.671 0.158 1.00 4.92 H new ATOM 0 HA HIS A 18 4.780 -10.698 -1.205 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.490 -13.056 -0.809 1.00 5.95 H new ATOM 0 HB3 HIS A 18 2.870 -13.047 -1.478 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.520 -12.996 -2.485 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.726 -12.921 -4.263 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.842 -13.397 -4.994 1.00 6.81 H new ATOM 256 N PRO A 19 4.051 -9.707 -3.329 1.00 4.16 N ATOM 257 CA PRO A 19 3.672 -8.856 -4.493 1.00 3.77 C ATOM 258 C PRO A 19 3.249 -9.622 -5.758 1.00 4.27 C ATOM 259 O PRO A 19 2.313 -9.217 -6.419 1.00 4.32 O ATOM 260 CB PRO A 19 4.948 -8.064 -4.784 1.00 3.96 C ATOM 261 CG PRO A 19 6.118 -8.880 -4.191 1.00 4.62 C ATOM 262 CD PRO A 19 5.514 -9.805 -3.121 1.00 4.65 C ATOM 0 HA PRO A 19 2.794 -8.261 -4.243 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.079 -7.921 -5.857 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.900 -7.072 -4.334 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.618 -9.460 -4.967 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.868 -8.220 -3.754 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.864 -10.830 -3.240 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.794 -9.487 -2.117 1.00 4.65 H new ATOM 270 N LYS A 20 3.944 -10.669 -6.139 1.00 4.91 N ATOM 271 CA LYS A 20 3.577 -11.394 -7.412 1.00 5.52 C ATOM 272 C LYS A 20 2.071 -11.723 -7.464 1.00 5.00 C ATOM 273 O LYS A 20 1.504 -11.824 -8.536 1.00 5.39 O ATOM 274 CB LYS A 20 4.397 -12.667 -7.578 1.00 6.44 C ATOM 275 CG LYS A 20 4.533 -13.006 -9.065 1.00 7.16 C ATOM 276 CD LYS A 20 5.015 -14.452 -9.219 1.00 7.91 C ATOM 277 CE LYS A 20 6.528 -14.519 -8.988 1.00 8.41 C ATOM 278 NZ LYS A 20 6.969 -15.944 -8.979 1.00 8.95 N ATOM 0 H LYS A 20 4.742 -11.054 -5.634 1.00 4.91 H new ATOM 0 HA LYS A 20 3.807 -10.722 -8.239 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.384 -12.535 -7.134 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.917 -13.491 -7.050 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.575 -12.876 -9.567 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.238 -12.324 -9.541 1.00 7.16 H new ATOM 0 HD2 LYS A 20 4.500 -15.095 -8.506 1.00 7.91 H new ATOM 0 HD3 LYS A 20 4.773 -14.822 -10.215 1.00 7.91 H new ATOM 0 HE2 LYS A 20 7.051 -13.971 -9.772 1.00 8.41 H new ATOM 0 HE3 LYS A 20 6.783 -14.043 -8.041 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 7.996 -15.989 -8.822 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 6.480 -16.454 -8.216 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 6.739 -16.384 -9.893 1.00 8.95 H new ATOM 292 N PHE A 21 1.410 -11.855 -6.330 1.00 4.37 N ATOM 293 CA PHE A 21 -0.061 -12.136 -6.344 1.00 4.15 C ATOM 294 C PHE A 21 -0.778 -10.962 -7.025 1.00 3.56 C ATOM 295 O PHE A 21 -1.730 -11.140 -7.760 1.00 3.88 O ATOM 296 CB PHE A 21 -0.597 -12.253 -4.920 1.00 4.02 C ATOM 297 CG PHE A 21 0.162 -13.282 -4.105 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.760 -14.392 -4.719 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.249 -13.123 -2.716 1.00 5.12 C ATOM 300 CE1 PHE A 21 1.446 -15.334 -3.941 1.00 5.85 C ATOM 301 CE2 PHE A 21 0.931 -14.065 -1.942 1.00 5.85 C ATOM 302 CZ PHE A 21 1.531 -15.170 -2.553 1.00 6.13 C ATOM 0 H PHE A 21 1.827 -11.780 -5.402 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.236 -13.071 -6.876 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.532 -11.282 -4.428 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.652 -12.524 -4.952 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.692 -14.520 -5.789 1.00 5.11 H new ATOM 0 HD2 PHE A 21 -0.213 -12.269 -2.242 1.00 5.12 H new ATOM 0 HE1 PHE A 21 1.910 -16.188 -4.413 1.00 5.85 H new ATOM 0 HE2 PHE A 21 0.995 -13.940 -0.871 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.060 -15.897 -1.955 1.00 6.13 H new ATOM 312 N ILE A 22 -0.309 -9.763 -6.764 1.00 2.94 N ATOM 313 CA ILE A 22 -0.919 -8.535 -7.355 1.00 2.62 C ATOM 314 C ILE A 22 -0.855 -8.587 -8.883 1.00 3.41 C ATOM 315 O ILE A 22 0.206 -8.671 -9.473 1.00 4.13 O ATOM 316 CB ILE A 22 -0.147 -7.304 -6.845 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.338 -7.161 -5.328 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.649 -6.038 -7.542 1.00 2.53 C ATOM 319 CD1 ILE A 22 -1.822 -7.291 -4.966 1.00 2.47 C ATOM 0 H ILE A 22 0.488 -9.585 -6.153 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.965 -8.472 -7.056 1.00 2.62 H new ATOM 0 HB ILE A 22 0.911 -7.439 -7.068 1.00 2.18 H new ATOM 0 HG12 ILE A 22 0.239 -7.926 -4.808 1.00 2.00 H new ATOM 0 HG13 ILE A 22 0.041 -6.195 -4.996 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.095 -5.175 -7.172 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.500 -6.131 -8.618 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.710 -5.904 -7.333 1.00 2.53 H new ATOM 0 HD11 ILE A 22 -1.944 -7.188 -3.888 1.00 2.47 H new ATOM 0 HD12 ILE A 22 -2.390 -6.510 -5.472 1.00 2.47 H new ATOM 0 HD13 ILE A 22 -2.189 -8.268 -5.281 1.00 2.47 H new ATOM 331 N LYS A 23 -1.996 -8.515 -9.519 1.00 3.62 N ATOM 332 CA LYS A 23 -2.040 -8.528 -11.008 1.00 4.61 C ATOM 333 C LYS A 23 -1.831 -7.097 -11.525 1.00 5.00 C ATOM 334 O LYS A 23 -1.344 -6.895 -12.623 1.00 5.88 O ATOM 335 CB LYS A 23 -3.405 -9.049 -11.476 1.00 5.10 C ATOM 336 CG LYS A 23 -3.233 -9.874 -12.755 1.00 5.85 C ATOM 337 CD LYS A 23 -4.538 -10.609 -13.070 1.00 6.35 C ATOM 338 CE LYS A 23 -4.304 -11.610 -14.206 1.00 6.93 C ATOM 339 NZ LYS A 23 -4.560 -10.947 -15.518 1.00 7.72 N ATOM 0 H LYS A 23 -2.906 -8.447 -9.064 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.256 -9.179 -11.395 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.858 -9.660 -10.696 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.081 -8.213 -11.659 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.960 -9.223 -13.586 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.421 -10.590 -12.631 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -4.897 -11.129 -12.182 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -5.310 -9.894 -13.355 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -3.281 -11.984 -14.170 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -4.962 -12.471 -14.087 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -4.401 -11.628 -16.288 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -5.544 -10.611 -15.551 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -3.914 -10.140 -15.631 1.00 7.72 H new ATOM 353 N GLU A 24 -2.196 -6.104 -10.738 1.00 4.51 N ATOM 354 CA GLU A 24 -2.022 -4.683 -11.176 1.00 5.13 C ATOM 355 C GLU A 24 -1.624 -3.817 -9.968 1.00 4.55 C ATOM 356 O GLU A 24 -2.422 -3.587 -9.080 1.00 4.65 O ATOM 357 CB GLU A 24 -3.340 -4.161 -11.760 1.00 5.78 C ATOM 358 CG GLU A 24 -3.493 -4.641 -13.206 1.00 6.35 C ATOM 359 CD GLU A 24 -4.961 -4.537 -13.630 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.735 -5.395 -13.236 1.00 7.77 O ATOM 361 OE2 GLU A 24 -5.287 -3.601 -14.342 1.00 7.92 O ATOM 0 H GLU A 24 -2.607 -6.221 -9.812 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.241 -4.633 -11.935 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.179 -4.513 -11.160 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.358 -3.072 -11.725 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.870 -4.039 -13.867 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.150 -5.672 -13.296 1.00 6.35 H new HETATM 368 N MLE A 25 -0.399 -3.334 -9.925 1.00 4.25 N HETATM 369 CN MLE A 25 0.156 -2.804 -11.213 1.00 5.13 C HETATM 370 CA MLE A 25 0.032 -2.484 -8.761 1.00 3.66 C HETATM 371 CB MLE A 25 1.405 -2.949 -8.251 1.00 3.52 C HETATM 372 CG MLE A 25 1.973 -1.906 -7.274 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.479 -2.600 -6.010 1.00 2.93 C HETATM 374 CD2 MLE A 25 3.131 -1.150 -7.939 1.00 3.54 C HETATM 375 C MLE A 25 0.126 -1.017 -9.197 1.00 4.19 C HETATM 376 O MLE A 25 1.082 -0.613 -9.839 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.917 -1.855 -8.211 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.769 -0.646 -8.835 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.531 -0.412 -7.244 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.655 -3.130 -5.531 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.263 -3.310 -6.274 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.880 -1.856 -5.322 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.202 -1.787 -11.372 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.245 -2.802 -11.167 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.171 -3.437 -12.038 1.00 5.13 H new HETATM 0 HG MLE A 25 1.185 -1.202 -7.008 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.312 -3.915 -7.754 1.00 3.52 H new HETATM 0 HB2 MLE A 25 2.088 -3.087 -9.089 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.703 -2.582 -7.962 1.00 3.66 H new ATOM 390 N ARG A 26 -0.848 -0.216 -8.866 1.00 4.14 N ATOM 391 CA ARG A 26 -0.782 1.208 -9.282 1.00 4.79 C ATOM 392 C ARG A 26 -0.888 2.121 -8.056 1.00 4.70 C ATOM 393 O ARG A 26 -1.847 2.061 -7.311 1.00 4.97 O ATOM 394 CB ARG A 26 -1.913 1.513 -10.254 1.00 5.59 C ATOM 395 CG ARG A 26 -1.347 1.699 -11.664 1.00 5.99 C ATOM 396 CD ARG A 26 -2.500 1.799 -12.666 1.00 6.35 C ATOM 397 NE ARG A 26 -2.207 0.950 -13.858 1.00 7.16 N ATOM 398 CZ ARG A 26 -3.054 0.906 -14.852 1.00 7.92 C ATOM 399 NH1 ARG A 26 -4.052 0.059 -14.821 1.00 8.52 N ATOM 400 NH2 ARG A 26 -2.905 1.710 -15.874 1.00 8.32 N ATOM 0 H ARG A 26 -1.675 -0.483 -8.333 1.00 4.14 H new ATOM 0 HA ARG A 26 0.173 1.389 -9.775 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.639 0.700 -10.248 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.440 2.414 -9.942 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -0.735 2.600 -11.706 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -0.699 0.861 -11.921 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -3.430 1.477 -12.198 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -2.640 2.836 -12.972 1.00 6.35 H new ATOM 0 HE ARG A 26 -1.346 0.404 -13.897 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -4.167 -0.565 -14.022 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -4.714 0.023 -15.596 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -2.128 2.370 -15.894 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -3.566 1.676 -16.650 1.00 8.32 H new ATOM 414 N VAL A 27 0.092 2.965 -7.843 1.00 4.69 N ATOM 415 CA VAL A 27 0.067 3.885 -6.670 1.00 4.83 C ATOM 416 C VAL A 27 -0.417 5.278 -7.104 1.00 4.79 C ATOM 417 O VAL A 27 -0.243 5.674 -8.242 1.00 5.45 O ATOM 418 CB VAL A 27 1.482 3.984 -6.085 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.925 2.611 -5.579 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.470 4.464 -7.157 1.00 6.04 C ATOM 0 H VAL A 27 0.915 3.054 -8.439 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.618 3.497 -5.916 1.00 4.83 H new ATOM 0 HB VAL A 27 1.470 4.698 -5.262 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.930 2.683 -5.164 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.237 2.269 -4.806 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.924 1.901 -6.406 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.470 4.529 -6.727 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.477 3.758 -7.987 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.166 5.446 -7.519 1.00 6.04 H new ATOM 430 N ILE A 28 -1.018 6.025 -6.203 1.00 4.28 N ATOM 431 CA ILE A 28 -1.506 7.394 -6.563 1.00 4.40 C ATOM 432 C ILE A 28 -0.667 8.437 -5.820 1.00 4.70 C ATOM 433 O ILE A 28 -0.298 8.245 -4.677 1.00 5.01 O ATOM 434 CB ILE A 28 -2.986 7.538 -6.176 1.00 4.45 C ATOM 435 CG1 ILE A 28 -3.823 6.559 -7.007 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.458 8.973 -6.448 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.301 6.689 -6.631 1.00 5.05 C ATOM 0 H ILE A 28 -1.190 5.744 -5.238 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.408 7.547 -7.638 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.106 7.317 -5.115 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.690 6.763 -8.069 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.483 5.538 -6.834 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.508 9.069 -6.172 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -2.862 9.670 -5.858 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.339 9.200 -7.507 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.890 5.991 -7.225 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.428 6.462 -5.572 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.638 7.707 -6.827 1.00 5.05 H new ATOM 449 N GLU A 29 -0.364 9.541 -6.463 1.00 5.08 N ATOM 450 CA GLU A 29 0.454 10.604 -5.804 1.00 5.75 C ATOM 451 C GLU A 29 -0.384 11.336 -4.748 1.00 5.30 C ATOM 452 O GLU A 29 -1.555 11.056 -4.560 1.00 4.95 O ATOM 453 CB GLU A 29 0.926 11.606 -6.862 1.00 6.63 C ATOM 454 CG GLU A 29 2.130 11.033 -7.614 1.00 7.40 C ATOM 455 CD GLU A 29 2.162 11.596 -9.037 1.00 8.35 C ATOM 456 OE1 GLU A 29 2.651 12.702 -9.206 1.00 8.53 O ATOM 457 OE2 GLU A 29 1.695 10.913 -9.934 1.00 9.09 O ATOM 0 H GLU A 29 -0.650 9.750 -7.419 1.00 5.08 H new ATOM 0 HA GLU A 29 1.315 10.144 -5.318 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.117 11.820 -7.560 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.196 12.550 -6.388 1.00 6.63 H new ATOM 0 HG2 GLU A 29 3.052 11.286 -7.091 1.00 7.40 H new ATOM 0 HG3 GLU A 29 2.069 9.945 -7.644 1.00 7.40 H new ATOM 464 N SER A 30 0.214 12.276 -4.060 1.00 5.67 N ATOM 465 CA SER A 30 -0.528 13.040 -3.015 1.00 5.68 C ATOM 466 C SER A 30 -0.898 14.428 -3.555 1.00 6.20 C ATOM 467 O SER A 30 -0.364 14.882 -4.550 1.00 6.77 O ATOM 468 CB SER A 30 0.349 13.193 -1.767 1.00 6.35 C ATOM 469 OG SER A 30 1.720 13.253 -2.144 1.00 7.18 O ATOM 0 H SER A 30 1.190 12.547 -4.179 1.00 5.67 H new ATOM 0 HA SER A 30 -1.438 12.499 -2.753 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.072 14.097 -1.225 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.185 12.354 -1.091 1.00 6.35 H new ATOM 0 HG SER A 30 2.276 13.352 -1.343 1.00 7.18 H new ATOM 475 N GLY A 31 -1.814 15.096 -2.902 1.00 6.36 N ATOM 476 CA GLY A 31 -2.240 16.454 -3.360 1.00 7.19 C ATOM 477 C GLY A 31 -3.341 16.977 -2.426 1.00 7.66 C ATOM 478 O GLY A 31 -3.416 16.575 -1.281 1.00 7.75 O ATOM 0 H GLY A 31 -2.289 14.757 -2.065 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.389 17.136 -3.357 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.608 16.407 -4.385 1.00 7.19 H new ATOM 482 N PRO A 32 -4.189 17.837 -2.951 1.00 8.17 N ATOM 483 CA PRO A 32 -5.323 18.396 -2.185 1.00 8.85 C ATOM 484 C PRO A 32 -6.395 17.310 -2.024 1.00 8.11 C ATOM 485 O PRO A 32 -7.032 17.194 -0.994 1.00 8.52 O ATOM 486 CB PRO A 32 -5.810 19.560 -3.053 1.00 9.69 C ATOM 487 CG PRO A 32 -5.311 19.272 -4.488 1.00 9.20 C ATOM 488 CD PRO A 32 -4.104 18.325 -4.346 1.00 8.39 C ATOM 0 HA PRO A 32 -5.067 18.730 -1.180 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.897 19.635 -3.028 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -5.416 20.508 -2.688 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -6.097 18.813 -5.088 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -5.024 20.195 -4.992 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.157 17.503 -5.060 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -3.165 18.847 -4.529 1.00 8.39 H new ATOM 496 N HIS A 33 -6.560 16.497 -3.042 1.00 7.21 N ATOM 497 CA HIS A 33 -7.544 15.370 -3.000 1.00 6.64 C ATOM 498 C HIS A 33 -7.191 14.420 -1.840 1.00 5.94 C ATOM 499 O HIS A 33 -8.058 13.848 -1.208 1.00 6.05 O ATOM 500 CB HIS A 33 -7.484 14.596 -4.335 1.00 6.27 C ATOM 501 CG HIS A 33 -6.077 14.092 -4.574 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.068 14.906 -5.072 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.490 12.875 -4.339 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.937 14.180 -5.105 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.138 12.932 -4.672 1.00 5.23 N ATOM 0 H HIS A 33 -6.042 16.570 -3.918 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.548 15.766 -2.849 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.181 13.758 -4.312 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.792 15.244 -5.156 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.999 12.004 -3.954 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.983 14.559 -5.440 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.450 12.182 -4.601 1.00 5.23 H new ATOM 513 N CYS A 34 -5.915 14.265 -1.562 1.00 5.51 N ATOM 514 CA CYS A 34 -5.461 13.379 -0.457 1.00 5.12 C ATOM 515 C CYS A 34 -4.015 13.746 -0.105 1.00 5.54 C ATOM 516 O CYS A 34 -3.096 13.467 -0.854 1.00 5.84 O ATOM 517 CB CYS A 34 -5.540 11.912 -0.897 1.00 4.12 C ATOM 518 SG CYS A 34 -6.010 10.878 0.516 1.00 4.37 S ATOM 0 H CYS A 34 -5.161 14.728 -2.069 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.101 13.511 0.416 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.269 11.801 -1.700 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.578 11.588 -1.293 1.00 4.12 H new ATOM 523 N ALA A 35 -3.812 14.391 1.019 1.00 5.90 N ATOM 524 CA ALA A 35 -2.432 14.808 1.424 1.00 6.66 C ATOM 525 C ALA A 35 -1.520 13.587 1.593 1.00 6.33 C ATOM 526 O ALA A 35 -0.373 13.605 1.185 1.00 6.77 O ATOM 527 CB ALA A 35 -2.498 15.576 2.747 1.00 7.59 C ATOM 0 H ALA A 35 -4.548 14.648 1.677 1.00 5.90 H new ATOM 0 HA ALA A 35 -2.021 15.445 0.641 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -1.494 15.880 3.042 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -3.123 16.461 2.623 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.925 14.935 3.519 1.00 7.59 H new ATOM 533 N ASN A 36 -2.014 12.534 2.191 1.00 5.85 N ATOM 534 CA ASN A 36 -1.173 11.316 2.391 1.00 5.88 C ATOM 535 C ASN A 36 -1.154 10.479 1.107 1.00 5.34 C ATOM 536 O ASN A 36 -2.182 10.230 0.503 1.00 5.26 O ATOM 537 CB ASN A 36 -1.748 10.482 3.540 1.00 6.50 C ATOM 538 CG ASN A 36 -1.204 11.000 4.874 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.244 10.470 5.398 1.00 7.78 O ATOM 540 ND2 ASN A 36 -1.778 12.023 5.449 1.00 7.61 N ATOM 0 H ASN A 36 -2.966 12.465 2.550 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.155 11.618 2.635 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.837 10.538 3.534 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.482 9.433 3.410 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -1.420 12.376 6.337 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.584 12.469 5.010 1.00 7.61 H new ATOM 547 N THR A 37 0.013 10.038 0.692 1.00 5.30 N ATOM 548 CA THR A 37 0.119 9.203 -0.549 1.00 5.18 C ATOM 549 C THR A 37 -0.541 7.839 -0.290 1.00 4.58 C ATOM 550 O THR A 37 -0.609 7.384 0.839 1.00 4.95 O ATOM 551 CB THR A 37 1.601 9.009 -0.911 1.00 5.98 C ATOM 552 OG1 THR A 37 2.316 10.213 -0.655 1.00 6.76 O ATOM 553 CG2 THR A 37 1.730 8.653 -2.394 1.00 6.31 C ATOM 0 H THR A 37 0.899 10.222 1.162 1.00 5.30 H new ATOM 0 HA THR A 37 -0.386 9.700 -1.377 1.00 5.18 H new ATOM 0 HB THR A 37 2.013 8.201 -0.306 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.260 10.088 -0.884 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.782 8.517 -2.645 1.00 6.31 H new ATOM 0 HG22 THR A 37 1.186 7.730 -2.595 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.314 9.459 -2.999 1.00 6.31 H new ATOM 561 N GLU A 38 -1.045 7.187 -1.316 1.00 3.94 N ATOM 562 CA GLU A 38 -1.715 5.869 -1.100 1.00 3.67 C ATOM 563 C GLU A 38 -1.396 4.910 -2.249 1.00 2.99 C ATOM 564 O GLU A 38 -1.486 5.267 -3.409 1.00 3.33 O ATOM 565 CB GLU A 38 -3.231 6.085 -1.035 1.00 4.35 C ATOM 566 CG GLU A 38 -3.797 5.431 0.229 1.00 4.96 C ATOM 567 CD GLU A 38 -5.008 6.232 0.725 1.00 5.76 C ATOM 568 OE1 GLU A 38 -5.966 6.353 -0.025 1.00 6.28 O ATOM 569 OE2 GLU A 38 -4.956 6.708 1.846 1.00 6.10 O ATOM 0 H GLU A 38 -1.020 7.510 -2.283 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.352 5.436 -0.168 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.455 7.152 -1.035 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.706 5.660 -1.919 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.090 4.402 0.018 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.032 5.392 1.004 1.00 4.96 H new ATOM 576 N ILE A 39 -1.051 3.687 -1.930 1.00 2.48 N ATOM 577 CA ILE A 39 -0.755 2.682 -2.996 1.00 2.38 C ATOM 578 C ILE A 39 -2.062 1.940 -3.325 1.00 2.16 C ATOM 579 O ILE A 39 -2.997 1.960 -2.549 1.00 2.22 O ATOM 580 CB ILE A 39 0.315 1.703 -2.473 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.694 2.372 -2.549 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.337 0.420 -3.313 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.226 2.632 -1.138 1.00 2.94 C ATOM 0 H ILE A 39 -0.962 3.341 -0.975 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.375 3.161 -3.898 1.00 2.38 H new ATOM 0 HB ILE A 39 0.074 1.445 -1.442 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.388 1.734 -3.097 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.623 3.311 -3.099 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.100 -0.256 -2.925 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.638 -0.065 -3.262 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.565 0.668 -4.350 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.205 3.107 -1.200 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.538 3.288 -0.605 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.315 1.687 -0.603 1.00 2.94 H new ATOM 595 N ILE A 40 -2.147 1.297 -4.467 1.00 2.34 N ATOM 596 CA ILE A 40 -3.405 0.562 -4.814 1.00 2.36 C ATOM 597 C ILE A 40 -3.075 -0.665 -5.661 1.00 2.37 C ATOM 598 O ILE A 40 -2.887 -0.576 -6.860 1.00 3.02 O ATOM 599 CB ILE A 40 -4.370 1.463 -5.593 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.668 2.730 -4.785 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.673 0.693 -5.841 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.438 3.729 -5.650 1.00 4.01 C ATOM 0 H ILE A 40 -1.407 1.250 -5.167 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.882 0.254 -3.884 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.919 1.749 -6.543 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.250 2.478 -3.899 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.737 3.178 -4.438 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.369 1.324 -6.395 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.460 -0.206 -6.419 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.118 0.414 -4.886 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.647 4.628 -5.070 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -4.840 3.991 -6.523 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.377 3.281 -5.975 1.00 4.01 H new ATOM 614 N VAL A 41 -3.016 -1.812 -5.042 1.00 2.04 N ATOM 615 CA VAL A 41 -2.714 -3.058 -5.792 1.00 2.10 C ATOM 616 C VAL A 41 -4.014 -3.821 -6.073 1.00 2.33 C ATOM 617 O VAL A 41 -5.062 -3.509 -5.537 1.00 2.79 O ATOM 618 CB VAL A 41 -1.772 -3.942 -4.967 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.447 -3.214 -4.736 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.415 -4.289 -3.616 1.00 3.20 C ATOM 0 H VAL A 41 -3.166 -1.938 -4.041 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.235 -2.799 -6.736 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.586 -4.865 -5.517 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.218 -3.847 -4.149 1.00 2.87 H new ATOM 0 HG12 VAL A 41 0.018 -2.991 -5.696 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.632 -2.284 -4.198 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.735 -4.917 -3.040 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.618 -3.372 -3.063 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.349 -4.825 -3.785 1.00 3.20 H new ATOM 630 N LYS A 42 -3.942 -4.825 -6.906 1.00 2.44 N ATOM 631 CA LYS A 42 -5.148 -5.634 -7.234 1.00 2.97 C ATOM 632 C LYS A 42 -4.791 -7.118 -7.114 1.00 2.77 C ATOM 633 O LYS A 42 -4.222 -7.703 -8.018 1.00 2.98 O ATOM 634 CB LYS A 42 -5.608 -5.319 -8.663 1.00 3.77 C ATOM 635 CG LYS A 42 -7.131 -5.176 -8.690 1.00 4.68 C ATOM 636 CD LYS A 42 -7.570 -4.638 -10.054 1.00 5.42 C ATOM 637 CE LYS A 42 -8.848 -5.354 -10.502 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.041 -4.601 -10.019 1.00 6.76 N ATOM 0 H LYS A 42 -3.088 -5.121 -7.378 1.00 2.44 H new ATOM 0 HA LYS A 42 -5.958 -5.394 -6.545 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.140 -4.399 -9.012 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.295 -6.113 -9.340 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.601 -6.141 -8.500 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.457 -4.501 -7.899 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.745 -3.564 -9.993 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -6.779 -4.791 -10.788 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.871 -5.432 -11.589 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -8.864 -6.371 -10.109 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.907 -5.089 -10.325 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.021 -4.548 -8.981 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.028 -3.639 -10.415 1.00 6.76 H new ATOM 652 N LEU A 43 -5.106 -7.722 -5.993 1.00 3.01 N ATOM 653 CA LEU A 43 -4.781 -9.164 -5.778 1.00 3.31 C ATOM 654 C LEU A 43 -5.341 -10.024 -6.916 1.00 3.92 C ATOM 655 O LEU A 43 -6.372 -9.724 -7.494 1.00 4.54 O ATOM 656 CB LEU A 43 -5.391 -9.625 -4.457 1.00 4.01 C ATOM 657 CG LEU A 43 -4.452 -9.263 -3.301 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.204 -9.370 -1.972 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.256 -10.221 -3.288 1.00 3.91 C ATOM 0 H LEU A 43 -5.580 -7.270 -5.211 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.697 -9.277 -5.755 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.363 -9.154 -4.310 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.559 -10.702 -4.479 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.097 -8.241 -3.435 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.533 -9.112 -1.153 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.051 -8.684 -1.977 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.564 -10.390 -1.839 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.590 -9.961 -2.465 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.610 -11.244 -3.159 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.715 -10.141 -4.231 1.00 3.91 H new ATOM 671 N SER A 44 -4.650 -11.098 -7.223 1.00 3.99 N ATOM 672 CA SER A 44 -5.080 -12.027 -8.315 1.00 4.72 C ATOM 673 C SER A 44 -6.494 -12.570 -8.058 1.00 5.55 C ATOM 674 O SER A 44 -7.161 -13.016 -8.975 1.00 6.08 O ATOM 675 CB SER A 44 -4.097 -13.200 -8.402 1.00 4.98 C ATOM 676 OG SER A 44 -3.948 -13.793 -7.117 1.00 5.08 O ATOM 0 H SER A 44 -3.788 -11.374 -6.752 1.00 3.99 H new ATOM 0 HA SER A 44 -5.089 -11.471 -9.253 1.00 4.72 H new ATOM 0 HB2 SER A 44 -4.460 -13.940 -9.115 1.00 4.98 H new ATOM 0 HB3 SER A 44 -3.131 -12.852 -8.767 1.00 4.98 H new ATOM 0 HG SER A 44 -3.321 -14.544 -7.174 1.00 5.08 H new ATOM 682 N ASP A 45 -6.964 -12.537 -6.830 1.00 5.91 N ATOM 683 CA ASP A 45 -8.331 -13.048 -6.532 1.00 7.02 C ATOM 684 C ASP A 45 -9.387 -11.961 -6.821 1.00 7.25 C ATOM 685 O ASP A 45 -10.477 -11.994 -6.279 1.00 8.19 O ATOM 686 CB ASP A 45 -8.407 -13.456 -5.055 1.00 7.64 C ATOM 687 CG ASP A 45 -7.457 -14.630 -4.794 1.00 8.01 C ATOM 688 OD1 ASP A 45 -6.295 -14.377 -4.517 1.00 7.89 O ATOM 689 OD2 ASP A 45 -7.908 -15.760 -4.874 1.00 8.63 O ATOM 0 H ASP A 45 -6.453 -12.176 -6.024 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.534 -13.911 -7.167 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -8.140 -12.611 -4.420 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.428 -13.738 -4.798 1.00 7.64 H new ATOM 694 N GLY A 46 -9.077 -11.000 -7.669 1.00 6.57 N ATOM 695 CA GLY A 46 -10.057 -9.919 -7.985 1.00 7.07 C ATOM 696 C GLY A 46 -10.271 -9.035 -6.753 1.00 6.74 C ATOM 697 O GLY A 46 -11.360 -8.545 -6.520 1.00 7.17 O ATOM 0 H GLY A 46 -8.183 -10.924 -8.154 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.692 -9.317 -8.817 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.005 -10.356 -8.299 1.00 7.07 H new ATOM 701 N ARG A 47 -9.245 -8.834 -5.958 1.00 6.21 N ATOM 702 CA ARG A 47 -9.398 -7.992 -4.737 1.00 6.07 C ATOM 703 C ARG A 47 -8.653 -6.664 -4.920 1.00 5.32 C ATOM 704 O ARG A 47 -7.766 -6.546 -5.743 1.00 5.06 O ATOM 705 CB ARG A 47 -8.814 -8.753 -3.541 1.00 6.43 C ATOM 706 CG ARG A 47 -9.394 -8.212 -2.230 1.00 7.27 C ATOM 707 CD ARG A 47 -10.901 -8.482 -2.180 1.00 7.96 C ATOM 708 NE ARG A 47 -11.314 -8.772 -0.775 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.265 -7.830 0.132 1.00 9.62 C ATOM 710 NH1 ARG A 47 -12.088 -6.813 0.066 1.00 10.10 N ATOM 711 NH2 ARG A 47 -10.394 -7.906 1.106 1.00 10.15 N ATOM 0 H ARG A 47 -8.312 -9.218 -6.105 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.453 -7.780 -4.565 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -9.037 -9.816 -3.634 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.728 -8.655 -3.534 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.902 -8.686 -1.381 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.204 -7.142 -2.152 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.448 -7.619 -2.559 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -11.151 -9.325 -2.824 1.00 7.96 H new ATOM 0 HE ARG A 47 -11.635 -9.706 -0.521 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -12.767 -6.755 -0.693 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -12.049 -6.079 0.773 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -9.754 -8.699 1.157 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -10.355 -7.172 1.814 1.00 10.15 H new ATOM 725 N GLU A 48 -9.005 -5.669 -4.145 1.00 5.24 N ATOM 726 CA GLU A 48 -8.320 -4.346 -4.239 1.00 4.73 C ATOM 727 C GLU A 48 -7.890 -3.935 -2.832 1.00 4.69 C ATOM 728 O GLU A 48 -8.707 -3.803 -1.939 1.00 5.44 O ATOM 729 CB GLU A 48 -9.278 -3.300 -4.819 1.00 5.60 C ATOM 730 CG GLU A 48 -8.469 -2.177 -5.477 1.00 5.76 C ATOM 731 CD GLU A 48 -9.350 -1.428 -6.482 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.525 -1.934 -7.580 1.00 7.44 O ATOM 733 OE2 GLU A 48 -9.833 -0.361 -6.139 1.00 7.12 O ATOM 0 H GLU A 48 -9.745 -5.719 -3.445 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.452 -4.417 -4.894 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -9.940 -3.763 -5.551 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -9.910 -2.893 -4.030 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -8.100 -1.488 -4.717 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -7.596 -2.592 -5.982 1.00 5.76 H new ATOM 740 N LEU A 49 -6.613 -3.748 -2.623 1.00 4.08 N ATOM 741 CA LEU A 49 -6.125 -3.365 -1.266 1.00 4.35 C ATOM 742 C LEU A 49 -5.180 -2.174 -1.375 1.00 3.99 C ATOM 743 O LEU A 49 -4.144 -2.260 -1.998 1.00 3.87 O ATOM 744 CB LEU A 49 -5.346 -4.530 -0.651 1.00 4.67 C ATOM 745 CG LEU A 49 -6.159 -5.196 0.463 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.074 -6.267 -0.131 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.198 -5.853 1.457 1.00 4.69 C ATOM 0 H LEU A 49 -5.887 -3.844 -3.333 1.00 4.08 H new ATOM 0 HA LEU A 49 -6.984 -3.111 -0.645 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.108 -5.263 -1.422 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.398 -4.169 -0.251 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.765 -4.444 0.968 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.650 -6.737 0.666 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.755 -5.807 -0.847 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.471 -7.021 -0.636 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.769 -6.330 2.254 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.598 -6.603 0.942 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.542 -5.095 1.884 1.00 4.69 H new ATOM 759 N CYS A 50 -5.496 -1.082 -0.738 1.00 3.99 N ATOM 760 CA CYS A 50 -4.574 0.081 -0.780 1.00 3.63 C ATOM 761 C CYS A 50 -3.477 -0.183 0.241 1.00 3.49 C ATOM 762 O CYS A 50 -3.727 -0.739 1.291 1.00 4.14 O ATOM 763 CB CYS A 50 -5.303 1.366 -0.439 1.00 3.72 C ATOM 764 SG CYS A 50 -6.944 1.378 -1.215 1.00 4.64 S ATOM 0 H CYS A 50 -6.348 -0.947 -0.194 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.161 0.199 -1.782 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.403 1.460 0.642 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.724 2.224 -0.782 1.00 3.72 H new ATOM 769 N LEU A 51 -2.263 0.166 -0.067 1.00 2.91 N ATOM 770 CA LEU A 51 -1.153 -0.116 0.872 1.00 2.96 C ATOM 771 C LEU A 51 -0.709 1.138 1.605 1.00 3.35 C ATOM 772 O LEU A 51 -0.952 2.260 1.186 1.00 3.56 O ATOM 773 CB LEU A 51 0.025 -0.707 0.113 1.00 2.71 C ATOM 774 CG LEU A 51 -0.312 -2.132 -0.344 1.00 2.56 C ATOM 775 CD1 LEU A 51 -1.105 -2.091 -1.648 1.00 2.98 C ATOM 776 CD2 LEU A 51 0.983 -2.916 -0.560 1.00 2.61 C ATOM 0 H LEU A 51 -1.993 0.636 -0.931 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.514 -0.830 1.612 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.262 -0.085 -0.750 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.910 -0.719 0.749 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.914 -2.619 0.423 1.00 2.56 H new ATOM 0 HD11 LEU A 51 -1.339 -3.108 -1.964 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -2.031 -1.537 -1.494 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -0.512 -1.599 -2.419 1.00 2.98 H new ATOM 0 HD21 LEU A 51 0.745 -3.929 -0.885 1.00 2.61 H new ATOM 0 HD22 LEU A 51 1.584 -2.422 -1.323 1.00 2.61 H new ATOM 0 HD23 LEU A 51 1.544 -2.957 0.374 1.00 2.61 H new ATOM 788 N ASP A 52 -0.056 0.916 2.710 1.00 3.84 N ATOM 789 CA ASP A 52 0.443 2.023 3.567 1.00 4.35 C ATOM 790 C ASP A 52 1.949 2.221 3.329 1.00 4.47 C ATOM 791 O ASP A 52 2.749 1.368 3.678 1.00 4.73 O ATOM 792 CB ASP A 52 0.186 1.641 5.031 1.00 4.93 C ATOM 793 CG ASP A 52 0.778 2.699 5.966 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.361 3.843 5.879 1.00 5.96 O ATOM 795 OD2 ASP A 52 1.637 2.342 6.755 1.00 5.40 O ATOM 0 H ASP A 52 0.158 -0.016 3.064 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.070 2.954 3.327 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.886 1.548 5.207 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.629 0.668 5.244 1.00 4.93 H new ATOM 800 N PRO A 53 2.296 3.352 2.754 1.00 4.54 N ATOM 801 CA PRO A 53 3.703 3.693 2.458 1.00 4.96 C ATOM 802 C PRO A 53 4.491 3.983 3.745 1.00 5.21 C ATOM 803 O PRO A 53 5.706 4.051 3.726 1.00 5.67 O ATOM 804 CB PRO A 53 3.596 4.933 1.563 1.00 5.26 C ATOM 805 CG PRO A 53 2.207 5.550 1.840 1.00 5.04 C ATOM 806 CD PRO A 53 1.327 4.404 2.370 1.00 4.55 C ATOM 0 HA PRO A 53 4.244 2.879 1.976 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.390 5.645 1.789 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.699 4.664 0.512 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.278 6.356 2.570 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.783 5.978 0.932 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.727 4.724 3.222 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.634 4.048 1.608 1.00 4.55 H new ATOM 814 N LYS A 54 3.815 4.138 4.866 1.00 5.18 N ATOM 815 CA LYS A 54 4.527 4.402 6.147 1.00 5.61 C ATOM 816 C LYS A 54 5.435 3.213 6.492 1.00 5.02 C ATOM 817 O LYS A 54 6.454 3.381 7.135 1.00 5.42 O ATOM 818 CB LYS A 54 3.512 4.607 7.274 1.00 6.23 C ATOM 819 CG LYS A 54 3.866 5.868 8.066 1.00 7.12 C ATOM 820 CD LYS A 54 2.911 6.014 9.256 1.00 7.85 C ATOM 821 CE LYS A 54 3.391 5.132 10.411 1.00 8.63 C ATOM 822 NZ LYS A 54 2.769 5.594 11.685 1.00 9.56 N ATOM 0 H LYS A 54 2.799 4.091 4.940 1.00 5.18 H new ATOM 0 HA LYS A 54 5.132 5.302 6.036 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.508 4.696 6.860 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.508 3.740 7.935 1.00 6.23 H new ATOM 0 HG2 LYS A 54 4.896 5.811 8.418 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.797 6.745 7.422 1.00 7.12 H new ATOM 0 HD2 LYS A 54 2.867 7.056 9.574 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.901 5.728 8.962 1.00 7.85 H new ATOM 0 HE2 LYS A 54 3.126 4.092 10.222 1.00 8.63 H new ATOM 0 HE3 LYS A 54 4.477 5.176 10.488 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 3.096 4.994 12.469 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 3.043 6.581 11.867 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 1.734 5.530 11.609 1.00 9.56 H new ATOM 836 N GLU A 55 5.082 2.016 6.066 1.00 4.37 N ATOM 837 CA GLU A 55 5.936 0.836 6.368 1.00 4.14 C ATOM 838 C GLU A 55 7.070 0.763 5.348 1.00 3.84 C ATOM 839 O GLU A 55 7.077 1.460 4.348 1.00 3.83 O ATOM 840 CB GLU A 55 5.110 -0.449 6.272 1.00 4.19 C ATOM 841 CG GLU A 55 4.299 -0.649 7.554 1.00 4.76 C ATOM 842 CD GLU A 55 4.636 -2.005 8.182 1.00 5.39 C ATOM 843 OE1 GLU A 55 5.798 -2.227 8.486 1.00 6.13 O ATOM 844 OE2 GLU A 55 3.726 -2.798 8.356 1.00 5.43 O ATOM 0 H GLU A 55 4.241 1.816 5.525 1.00 4.37 H new ATOM 0 HA GLU A 55 6.337 0.938 7.377 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.441 -0.397 5.413 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.768 -1.303 6.112 1.00 4.19 H new ATOM 0 HG2 GLU A 55 4.517 0.152 8.260 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.233 -0.597 7.332 1.00 4.76 H new ATOM 851 N ASN A 56 8.012 -0.102 5.587 1.00 3.90 N ATOM 852 CA ASN A 56 9.146 -0.269 4.634 1.00 3.93 C ATOM 853 C ASN A 56 8.859 -1.456 3.710 1.00 3.74 C ATOM 854 O ASN A 56 9.485 -1.610 2.680 1.00 3.89 O ATOM 855 CB ASN A 56 10.430 -0.525 5.409 1.00 4.29 C ATOM 856 CG ASN A 56 11.414 0.623 5.167 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.300 1.673 5.768 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.384 0.470 4.305 1.00 5.15 N ATOM 0 H ASN A 56 8.047 -0.706 6.408 1.00 3.90 H new ATOM 0 HA ASN A 56 9.260 0.637 4.039 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.213 -0.613 6.474 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.874 -1.470 5.095 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.043 1.231 4.138 1.00 5.15 H new ATOM 0 HD22 ASN A 56 12.482 -0.410 3.799 1.00 5.15 H new ATOM 865 N TRP A 57 7.913 -2.294 4.070 1.00 3.55 N ATOM 866 CA TRP A 57 7.579 -3.463 3.225 1.00 3.47 C ATOM 867 C TRP A 57 6.709 -3.020 2.051 1.00 3.28 C ATOM 868 O TRP A 57 6.852 -3.510 0.958 1.00 3.48 O ATOM 869 CB TRP A 57 6.867 -4.525 4.073 1.00 3.64 C ATOM 870 CG TRP A 57 5.443 -4.170 4.346 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.996 -3.665 5.502 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.276 -4.302 3.480 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.631 -3.506 5.425 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.139 -3.869 4.195 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.097 -4.752 2.165 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.864 -3.882 3.626 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.822 -4.761 1.585 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.705 -4.328 2.311 1.00 3.38 C ATOM 0 H TRP A 57 7.359 -2.208 4.922 1.00 3.55 H new ATOM 0 HA TRP A 57 8.493 -3.901 2.824 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.908 -5.485 3.558 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.396 -4.647 5.018 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.608 -3.421 6.358 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.053 -3.160 6.191 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.948 -5.094 1.595 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.009 -3.551 4.196 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.699 -5.105 0.569 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.725 -4.339 1.857 1.00 3.38 H new ATOM 889 N VAL A 58 5.816 -2.087 2.266 1.00 3.02 N ATOM 890 CA VAL A 58 4.952 -1.606 1.145 1.00 2.84 C ATOM 891 C VAL A 58 5.838 -0.928 0.092 1.00 2.99 C ATOM 892 O VAL A 58 5.671 -1.136 -1.096 1.00 3.21 O ATOM 893 CB VAL A 58 3.921 -0.607 1.692 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.422 0.324 0.584 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.733 -1.362 2.276 1.00 2.85 C ATOM 0 H VAL A 58 5.648 -1.639 3.167 1.00 3.02 H new ATOM 0 HA VAL A 58 4.425 -2.444 0.689 1.00 2.84 H new ATOM 0 HB VAL A 58 4.404 -0.010 2.466 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.693 1.022 0.996 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.263 0.880 0.170 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.954 -0.266 -0.204 1.00 2.80 H new ATOM 0 HG21 VAL A 58 2.004 -0.650 2.663 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.270 -1.969 1.498 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.074 -2.008 3.085 1.00 2.85 H new ATOM 905 N GLN A 59 6.785 -0.129 0.522 1.00 3.12 N ATOM 906 CA GLN A 59 7.689 0.557 -0.442 1.00 3.61 C ATOM 907 C GLN A 59 8.732 -0.431 -0.991 1.00 3.90 C ATOM 908 O GLN A 59 9.217 -0.270 -2.095 1.00 4.47 O ATOM 909 CB GLN A 59 8.380 1.726 0.258 1.00 3.82 C ATOM 910 CG GLN A 59 9.267 1.184 1.368 1.00 4.33 C ATOM 911 CD GLN A 59 9.902 2.337 2.148 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.213 3.101 2.796 1.00 4.84 O ATOM 913 NE2 GLN A 59 11.198 2.495 2.119 1.00 5.29 N ATOM 0 H GLN A 59 6.968 0.076 1.504 1.00 3.12 H new ATOM 0 HA GLN A 59 7.103 0.935 -1.280 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.976 2.294 -0.457 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.638 2.410 0.669 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.679 0.560 2.041 1.00 4.33 H new ATOM 0 HG3 GLN A 59 10.046 0.550 0.944 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.778 1.855 1.576 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.630 3.258 2.639 1.00 5.29 H new ATOM 922 N ARG A 60 9.063 -1.463 -0.244 1.00 3.65 N ATOM 923 CA ARG A 60 10.050 -2.466 -0.739 1.00 3.97 C ATOM 924 C ARG A 60 9.319 -3.453 -1.648 1.00 3.96 C ATOM 925 O ARG A 60 9.836 -3.877 -2.663 1.00 4.42 O ATOM 926 CB ARG A 60 10.669 -3.213 0.445 1.00 4.07 C ATOM 927 CG ARG A 60 11.847 -2.408 1.005 1.00 4.60 C ATOM 928 CD ARG A 60 13.154 -2.882 0.361 1.00 4.81 C ATOM 929 NE ARG A 60 13.378 -2.152 -0.920 1.00 5.26 N ATOM 930 CZ ARG A 60 14.314 -2.546 -1.742 1.00 5.84 C ATOM 931 NH1 ARG A 60 14.088 -3.543 -2.559 1.00 6.35 N ATOM 932 NH2 ARG A 60 15.476 -1.945 -1.745 1.00 6.25 N ATOM 0 H ARG A 60 8.689 -1.649 0.687 1.00 3.65 H new ATOM 0 HA ARG A 60 10.846 -1.967 -1.291 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.920 -3.368 1.222 1.00 4.07 H new ATOM 0 HB3 ARG A 60 11.008 -4.199 0.128 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.699 -1.346 0.809 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.900 -2.528 2.087 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.989 -2.709 1.040 1.00 4.81 H new ATOM 0 HD3 ARG A 60 13.111 -3.955 0.176 1.00 4.81 H new ATOM 0 HE ARG A 60 12.800 -1.345 -1.155 1.00 5.26 H new ATOM 0 HH11 ARG A 60 13.182 -4.011 -2.554 1.00 6.35 H new ATOM 0 HH12 ARG A 60 14.818 -3.852 -3.201 1.00 6.35 H new ATOM 0 HH21 ARG A 60 15.651 -1.169 -1.106 1.00 6.25 H new ATOM 0 HH22 ARG A 60 16.207 -2.252 -2.386 1.00 6.25 H new ATOM 946 N VAL A 61 8.104 -3.803 -1.291 1.00 3.58 N ATOM 947 CA VAL A 61 7.303 -4.741 -2.126 1.00 3.55 C ATOM 948 C VAL A 61 7.032 -4.084 -3.484 1.00 3.25 C ATOM 949 O VAL A 61 7.122 -4.722 -4.516 1.00 3.52 O ATOM 950 CB VAL A 61 5.984 -5.049 -1.400 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.957 -5.620 -2.376 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.247 -6.071 -0.291 1.00 4.31 C ATOM 0 H VAL A 61 7.634 -3.473 -0.448 1.00 3.58 H new ATOM 0 HA VAL A 61 7.844 -5.674 -2.286 1.00 3.55 H new ATOM 0 HB VAL A 61 5.591 -4.125 -0.975 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.029 -5.832 -1.845 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.765 -4.895 -3.167 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.343 -6.541 -2.813 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.314 -6.293 0.228 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.647 -6.986 -0.727 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.967 -5.662 0.417 1.00 4.31 H new ATOM 962 N VAL A 62 6.724 -2.806 -3.489 1.00 2.99 N ATOM 963 CA VAL A 62 6.473 -2.092 -4.777 1.00 3.22 C ATOM 964 C VAL A 62 7.785 -2.038 -5.571 1.00 3.80 C ATOM 965 O VAL A 62 7.802 -2.251 -6.767 1.00 4.15 O ATOM 966 CB VAL A 62 5.974 -0.666 -4.491 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.944 0.151 -5.787 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.560 -0.724 -3.901 1.00 3.34 C ATOM 0 H VAL A 62 6.636 -2.229 -2.653 1.00 2.99 H new ATOM 0 HA VAL A 62 5.713 -2.619 -5.354 1.00 3.22 H new ATOM 0 HB VAL A 62 6.651 -0.192 -3.781 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.589 1.159 -5.573 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.948 0.201 -6.209 1.00 4.40 H new ATOM 0 HG13 VAL A 62 5.274 -0.326 -6.502 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.208 0.288 -3.699 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.889 -1.206 -4.612 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.576 -1.295 -2.972 1.00 3.34 H new ATOM 978 N GLU A 63 8.886 -1.761 -4.904 1.00 4.04 N ATOM 979 CA GLU A 63 10.200 -1.700 -5.603 1.00 4.68 C ATOM 980 C GLU A 63 10.523 -3.071 -6.205 1.00 4.70 C ATOM 981 O GLU A 63 10.907 -3.173 -7.352 1.00 5.23 O ATOM 982 CB GLU A 63 11.298 -1.303 -4.610 1.00 5.11 C ATOM 983 CG GLU A 63 12.392 -0.530 -5.350 1.00 5.73 C ATOM 984 CD GLU A 63 13.734 -0.730 -4.644 1.00 6.00 C ATOM 985 OE1 GLU A 63 14.022 0.030 -3.733 1.00 6.04 O ATOM 986 OE2 GLU A 63 14.454 -1.637 -5.029 1.00 6.46 O ATOM 0 H GLU A 63 8.923 -1.575 -3.902 1.00 4.04 H new ATOM 0 HA GLU A 63 10.150 -0.956 -6.398 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.879 -0.689 -3.813 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.719 -2.192 -4.140 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.459 -0.874 -6.382 1.00 5.73 H new ATOM 0 HG3 GLU A 63 12.142 0.530 -5.383 1.00 5.73 H new ATOM 993 N LYS A 64 10.359 -4.127 -5.440 1.00 4.35 N ATOM 994 CA LYS A 64 10.640 -5.493 -5.963 1.00 4.71 C ATOM 995 C LYS A 64 9.659 -5.819 -7.103 1.00 4.54 C ATOM 996 O LYS A 64 9.986 -6.547 -8.021 1.00 5.00 O ATOM 997 CB LYS A 64 10.474 -6.517 -4.836 1.00 4.74 C ATOM 998 CG LYS A 64 11.264 -7.784 -5.171 1.00 5.62 C ATOM 999 CD LYS A 64 10.544 -9.006 -4.596 1.00 6.24 C ATOM 1000 CE LYS A 64 10.901 -10.245 -5.421 1.00 7.07 C ATOM 1001 NZ LYS A 64 10.379 -11.466 -4.742 1.00 7.79 N ATOM 0 H LYS A 64 10.041 -4.095 -4.471 1.00 4.35 H new ATOM 0 HA LYS A 64 11.661 -5.533 -6.341 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.826 -6.096 -3.894 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.419 -6.759 -4.703 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.367 -7.885 -6.251 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.271 -7.716 -4.760 1.00 5.62 H new ATOM 0 HD2 LYS A 64 10.831 -9.154 -3.555 1.00 6.24 H new ATOM 0 HD3 LYS A 64 9.466 -8.846 -4.609 1.00 6.24 H new ATOM 0 HE2 LYS A 64 10.476 -10.163 -6.421 1.00 7.07 H new ATOM 0 HE3 LYS A 64 11.982 -10.316 -5.539 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 10.622 -12.307 -5.304 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 10.805 -11.546 -3.797 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 9.345 -11.398 -4.651 1.00 7.79 H new ATOM 1015 N PHE A 65 8.463 -5.276 -7.045 1.00 4.02 N ATOM 1016 CA PHE A 65 7.449 -5.534 -8.109 1.00 3.99 C ATOM 1017 C PHE A 65 7.910 -4.902 -9.429 1.00 4.72 C ATOM 1018 O PHE A 65 7.824 -5.514 -10.477 1.00 5.31 O ATOM 1019 CB PHE A 65 6.120 -4.906 -7.682 1.00 3.16 C ATOM 1020 CG PHE A 65 4.966 -5.586 -8.387 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.741 -6.960 -8.216 1.00 3.45 C ATOM 1022 CD2 PHE A 65 4.115 -4.839 -9.211 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.669 -7.581 -8.868 1.00 3.48 C ATOM 1024 CE2 PHE A 65 3.043 -5.461 -9.863 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.821 -6.831 -9.691 1.00 3.19 C ATOM 0 H PHE A 65 8.148 -4.659 -6.296 1.00 4.02 H new ATOM 0 HA PHE A 65 7.328 -6.608 -8.251 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.998 -4.995 -6.602 1.00 3.16 H new ATOM 0 HB3 PHE A 65 6.121 -3.841 -7.916 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.395 -7.539 -7.581 1.00 3.45 H new ATOM 0 HD2 PHE A 65 4.286 -3.781 -9.344 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.496 -8.639 -8.736 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.388 -4.883 -10.498 1.00 3.10 H new ATOM 0 HZ PHE A 65 1.994 -7.311 -10.194 1.00 3.19 H new ATOM 1035 N LEU A 66 8.395 -3.683 -9.384 1.00 4.92 N ATOM 1036 CA LEU A 66 8.855 -3.010 -10.636 1.00 5.86 C ATOM 1037 C LEU A 66 10.357 -3.258 -10.825 1.00 6.61 C ATOM 1038 O LEU A 66 10.758 -4.025 -11.680 1.00 7.33 O ATOM 1039 CB LEU A 66 8.587 -1.502 -10.541 1.00 6.18 C ATOM 1040 CG LEU A 66 7.082 -1.236 -10.666 1.00 7.14 C ATOM 1041 CD1 LEU A 66 6.491 -0.965 -9.280 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.854 -0.017 -11.566 1.00 7.67 C ATOM 0 H LEU A 66 8.491 -3.128 -8.534 1.00 4.92 H new ATOM 0 HA LEU A 66 8.310 -3.417 -11.488 1.00 5.86 H new ATOM 0 HB2 LEU A 66 8.957 -1.116 -9.591 1.00 6.18 H new ATOM 0 HB3 LEU A 66 9.126 -0.977 -11.330 1.00 6.18 H new ATOM 0 HG LEU A 66 6.595 -2.108 -11.102 1.00 7.14 H new ATOM 0 HD11 LEU A 66 5.421 -0.776 -9.371 1.00 7.61 H new ATOM 0 HD12 LEU A 66 6.653 -1.832 -8.639 1.00 7.61 H new ATOM 0 HD13 LEU A 66 6.977 -0.094 -8.841 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.785 0.174 -11.656 1.00 7.67 H new ATOM 0 HD22 LEU A 66 7.342 0.854 -11.129 1.00 7.67 H new ATOM 0 HD23 LEU A 66 7.273 -0.211 -12.554 1.00 7.67 H new ATOM 1054 N LYS A 67 11.183 -2.619 -10.028 1.00 6.57 N ATOM 1055 CA LYS A 67 12.664 -2.809 -10.147 1.00 7.47 C ATOM 1056 C LYS A 67 13.377 -1.973 -9.075 1.00 7.85 C ATOM 1057 O LYS A 67 13.948 -2.508 -8.141 1.00 8.14 O ATOM 1058 CB LYS A 67 13.138 -2.369 -11.541 1.00 7.84 C ATOM 1059 CG LYS A 67 14.401 -3.145 -11.927 1.00 8.78 C ATOM 1060 CD LYS A 67 14.013 -4.450 -12.631 1.00 9.42 C ATOM 1061 CE LYS A 67 13.652 -4.160 -14.091 1.00 10.12 C ATOM 1062 NZ LYS A 67 13.921 -5.368 -14.923 1.00 10.40 N ATOM 0 H LYS A 67 10.892 -1.971 -9.296 1.00 6.57 H new ATOM 0 HA LYS A 67 12.902 -3.863 -10.005 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.352 -2.546 -12.275 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.342 -1.298 -11.545 1.00 7.84 H new ATOM 0 HG2 LYS A 67 15.025 -2.539 -12.583 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.992 -3.363 -11.037 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.839 -5.159 -12.584 1.00 9.42 H new ATOM 0 HD3 LYS A 67 13.167 -4.912 -12.122 1.00 9.42 H new ATOM 0 HE2 LYS A 67 12.601 -3.880 -14.168 1.00 10.12 H new ATOM 0 HE3 LYS A 67 14.234 -3.315 -14.459 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 13.675 -5.169 -15.914 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 14.929 -5.616 -14.859 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 13.347 -6.163 -14.577 1.00 10.40 H new ATOM 1076 N ARG A 68 13.347 -0.664 -9.201 1.00 8.12 N ATOM 1077 CA ARG A 68 14.020 0.215 -8.195 1.00 8.78 C ATOM 1078 C ARG A 68 13.105 1.401 -7.858 1.00 8.99 C ATOM 1079 O ARG A 68 12.062 1.582 -8.462 1.00 8.81 O ATOM 1080 CB ARG A 68 15.342 0.735 -8.770 1.00 9.33 C ATOM 1081 CG ARG A 68 16.351 -0.414 -8.870 1.00 9.61 C ATOM 1082 CD ARG A 68 17.769 0.152 -8.989 1.00 10.05 C ATOM 1083 NE ARG A 68 18.113 0.342 -10.428 1.00 10.53 N ATOM 1084 CZ ARG A 68 19.296 0.005 -10.869 1.00 10.90 C ATOM 1085 NH1 ARG A 68 19.540 -1.236 -11.203 1.00 11.35 N ATOM 1086 NH2 ARG A 68 20.235 0.909 -10.979 1.00 11.02 N ATOM 0 H ARG A 68 12.883 -0.168 -9.962 1.00 8.12 H new ATOM 0 HA ARG A 68 14.220 -0.358 -7.290 1.00 8.78 H new ATOM 0 HB2 ARG A 68 15.175 1.171 -9.755 1.00 9.33 H new ATOM 0 HB3 ARG A 68 15.740 1.526 -8.134 1.00 9.33 H new ATOM 0 HG2 ARG A 68 16.277 -1.053 -7.990 1.00 9.61 H new ATOM 0 HG3 ARG A 68 16.124 -1.036 -9.736 1.00 9.61 H new ATOM 0 HD2 ARG A 68 17.838 1.102 -8.460 1.00 10.05 H new ATOM 0 HD3 ARG A 68 18.482 -0.526 -8.521 1.00 10.05 H new ATOM 0 HE ARG A 68 17.424 0.736 -11.069 1.00 10.53 H new ATOM 0 HH11 ARG A 68 18.807 -1.940 -11.119 1.00 11.35 H new ATOM 0 HH12 ARG A 68 20.463 -1.499 -11.547 1.00 11.35 H new ATOM 0 HH21 ARG A 68 20.044 1.877 -10.721 1.00 11.02 H new ATOM 0 HH22 ARG A 68 21.158 0.646 -11.323 1.00 11.02 H new ATOM 1100 N ALA A 69 13.487 2.208 -6.897 1.00 9.61 N ATOM 1101 CA ALA A 69 12.640 3.382 -6.517 1.00 10.14 C ATOM 1102 C ALA A 69 13.479 4.408 -5.743 1.00 10.89 C ATOM 1103 O ALA A 69 14.353 4.056 -4.972 1.00 11.20 O ATOM 1104 CB ALA A 69 11.477 2.914 -5.639 1.00 10.08 C ATOM 0 H ALA A 69 14.348 2.104 -6.360 1.00 9.61 H new ATOM 0 HA ALA A 69 12.252 3.846 -7.424 1.00 10.14 H new ATOM 0 HB1 ALA A 69 10.862 3.770 -5.363 1.00 10.08 H new ATOM 0 HB2 ALA A 69 10.872 2.194 -6.190 1.00 10.08 H new ATOM 0 HB3 ALA A 69 11.868 2.443 -4.737 1.00 10.08 H new ATOM 1110 N GLU A 70 13.206 5.676 -5.943 1.00 11.37 N ATOM 1111 CA GLU A 70 13.970 6.741 -5.226 1.00 12.24 C ATOM 1112 C GLU A 70 13.057 7.416 -4.197 1.00 12.45 C ATOM 1113 O GLU A 70 13.362 7.446 -3.018 1.00 12.32 O ATOM 1114 CB GLU A 70 14.464 7.788 -6.232 1.00 12.79 C ATOM 1115 CG GLU A 70 15.825 7.364 -6.791 1.00 12.48 C ATOM 1116 CD GLU A 70 16.918 7.661 -5.761 1.00 13.18 C ATOM 1117 OE1 GLU A 70 17.340 8.804 -5.686 1.00 13.63 O ATOM 1118 OE2 GLU A 70 17.314 6.741 -5.064 1.00 13.39 O ATOM 0 H GLU A 70 12.483 6.018 -6.576 1.00 11.37 H new ATOM 0 HA GLU A 70 14.826 6.294 -4.720 1.00 12.24 H new ATOM 0 HB2 GLU A 70 13.744 7.895 -7.043 1.00 12.79 H new ATOM 0 HB3 GLU A 70 14.546 8.761 -5.748 1.00 12.79 H new ATOM 0 HG2 GLU A 70 15.816 6.301 -7.030 1.00 12.48 H new ATOM 0 HG3 GLU A 70 16.031 7.898 -7.719 1.00 12.48 H new ATOM 1125 N ASN A 71 11.939 7.955 -4.642 1.00 12.96 N ATOM 1126 CA ASN A 71 10.978 8.639 -3.711 1.00 13.39 C ATOM 1127 C ASN A 71 11.627 9.896 -3.109 1.00 13.77 C ATOM 1128 O ASN A 71 12.804 10.152 -3.292 1.00 13.98 O ATOM 1129 CB ASN A 71 10.559 7.683 -2.583 1.00 13.14 C ATOM 1130 CG ASN A 71 10.107 6.343 -3.173 1.00 12.70 C ATOM 1131 OD1 ASN A 71 10.841 5.375 -3.143 1.00 12.77 O ATOM 1132 ND2 ASN A 71 8.923 6.246 -3.715 1.00 12.41 N ATOM 0 H ASN A 71 11.650 7.949 -5.620 1.00 12.96 H new ATOM 0 HA ASN A 71 10.094 8.930 -4.278 1.00 13.39 H new ATOM 0 HB2 ASN A 71 11.393 7.526 -1.899 1.00 13.14 H new ATOM 0 HB3 ASN A 71 9.750 8.125 -2.002 1.00 13.14 H new ATOM 0 HD21 ASN A 71 8.615 5.358 -4.113 1.00 12.41 H new ATOM 0 HD22 ASN A 71 8.306 7.058 -3.741 1.00 12.41 H new ATOM 1139 N SER A 72 10.863 10.684 -2.392 1.00 14.02 N ATOM 1140 CA SER A 72 11.423 11.923 -1.775 1.00 14.59 C ATOM 1141 C SER A 72 11.181 11.893 -0.261 1.00 15.09 C ATOM 1142 O SER A 72 12.142 11.696 0.465 1.00 15.38 O ATOM 1143 CB SER A 72 10.742 13.152 -2.389 1.00 14.66 C ATOM 1144 OG SER A 72 11.272 13.385 -3.686 1.00 14.60 O ATOM 1145 OXT SER A 72 10.042 12.059 0.149 1.00 15.30 O ATOM 0 H SER A 72 9.873 10.520 -2.208 1.00 14.02 H new ATOM 0 HA SER A 72 12.495 11.976 -1.965 1.00 14.59 H new ATOM 0 HB2 SER A 72 9.665 12.994 -2.447 1.00 14.66 H new ATOM 0 HB3 SER A 72 10.902 14.025 -1.756 1.00 14.66 H new ATOM 0 HG SER A 72 10.837 14.169 -4.081 1.00 14.60 H new TER 1151 SER A 72