USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= -4.89! K(o=-4.9!,f=-6.8) USER MOD Single : A 9 LYS NZ :NH3+ -104:sc= 0.0621 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00586 K(o=-0.0059,f=-0.84) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.09 F(o=-7!,f=-2.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= -0.0472 (180deg=-1.37) USER MOD Single : A 33 ASN : amide:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.73) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.03 F(o=-2.2!,f=-1) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.584 F(o=-1.9,f=-0.58) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -98:sc= 0.557 USER MOD Single : A 54 MET CE :methyl -128:sc= -0.0141 (180deg=-0.279) USER MOD Single : A 59 HIS : no HD1:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 60 TYR OH : rot 146:sc= 0.0497 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 64 SER OG : rot 76:sc= 0.188 USER MOD Single : A 66 GLN :FLIP amide:sc= -8.18! C(o=-13!,f=-8.2!) USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= -1.63 (180deg=-2.13) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 3 -0.055 12.403 3.935 1.00 1.62 N ATOM 42 CA ASP A 3 0.529 11.065 3.967 1.00 1.65 C ATOM 43 C ASP A 3 0.184 10.344 5.267 1.00 1.75 C ATOM 44 O ASP A 3 -0.339 10.947 6.204 1.00 2.10 O ATOM 45 CB ASP A 3 2.049 11.147 3.810 1.00 2.02 C ATOM 46 CG ASP A 3 2.461 11.896 2.557 1.00 2.83 C ATOM 47 OD1 ASP A 3 2.494 13.143 2.595 1.00 2.96 O ATOM 48 OD2 ASP A 3 2.752 11.234 1.539 1.00 3.58 O ATOM 0 HA ASP A 3 0.110 10.497 3.137 1.00 1.65 H new ATOM 0 HB2 ASP A 3 2.476 11.642 4.683 1.00 2.02 H new ATOM 0 HB3 ASP A 3 2.463 10.139 3.781 1.00 2.02 H new ATOM 53 N TRP A 4 0.482 9.047 5.314 1.00 1.79 N ATOM 54 CA TRP A 4 0.210 8.240 6.499 1.00 2.23 C ATOM 55 C TRP A 4 1.210 7.094 6.614 1.00 2.33 C ATOM 56 O TRP A 4 1.395 6.523 7.690 1.00 2.91 O ATOM 57 CB TRP A 4 -1.221 7.696 6.462 1.00 2.72 C ATOM 58 CG TRP A 4 -1.537 6.915 5.223 1.00 2.37 C ATOM 59 CD1 TRP A 4 -1.366 5.574 5.035 1.00 2.53 C ATOM 60 CD2 TRP A 4 -2.083 7.424 4.001 1.00 2.23 C ATOM 61 NE1 TRP A 4 -1.769 5.219 3.769 1.00 2.21 N ATOM 62 CE2 TRP A 4 -2.213 6.338 3.115 1.00 2.15 C ATOM 63 CE3 TRP A 4 -2.473 8.694 3.568 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -2.716 6.484 1.824 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -2.973 8.838 2.287 1.00 3.19 C ATOM 66 CH2 TRP A 4 -3.092 7.737 1.430 1.00 3.13 C ATOM 0 H TRP A 4 0.912 8.534 4.545 1.00 1.79 H new ATOM 0 HA TRP A 4 0.317 8.878 7.376 1.00 2.23 H new ATOM 0 HB2 TRP A 4 -1.381 7.060 7.332 1.00 2.72 H new ATOM 0 HB3 TRP A 4 -1.919 8.529 6.544 1.00 2.72 H new ATOM 0 HD1 TRP A 4 -0.972 4.891 5.773 1.00 2.53 H new ATOM 0 HE1 TRP A 4 -1.742 4.276 3.380 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -2.385 9.548 4.223 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -2.805 5.638 1.159 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -3.277 9.815 1.942 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -3.490 7.881 0.436 1.00 3.13 H new ATOM 77 N ASN A 5 1.851 6.760 5.498 1.00 1.89 N ATOM 78 CA ASN A 5 2.843 5.688 5.470 1.00 1.98 C ATOM 79 C ASN A 5 4.227 6.227 5.818 1.00 2.12 C ATOM 80 O ASN A 5 5.227 5.842 5.212 1.00 2.58 O ATOM 81 CB ASN A 5 2.872 5.025 4.092 1.00 1.85 C ATOM 82 CG ASN A 5 1.854 3.910 3.966 1.00 2.43 C ATOM 83 OD1 ASN A 5 0.722 4.130 3.540 1.00 3.20 O ATOM 84 ND2 ASN A 5 2.254 2.703 4.338 1.00 2.75 N ATOM 0 H ASN A 5 1.701 7.217 4.599 1.00 1.89 H new ATOM 0 HA ASN A 5 2.561 4.943 6.215 1.00 1.98 H new ATOM 0 HB2 ASN A 5 2.680 5.777 3.326 1.00 1.85 H new ATOM 0 HB3 ASN A 5 3.869 4.626 3.905 1.00 1.85 H new ATOM 0 HD21 ASN A 5 1.613 1.912 4.276 1.00 2.75 H new ATOM 0 HD22 ASN A 5 3.203 2.565 4.686 1.00 2.75 H new ATOM 91 N ILE A 6 4.275 7.110 6.807 1.00 1.91 N ATOM 92 CA ILE A 6 5.531 7.711 7.241 1.00 2.11 C ATOM 93 C ILE A 6 6.318 6.759 8.137 1.00 2.18 C ATOM 94 O ILE A 6 7.476 7.014 8.467 1.00 2.38 O ATOM 95 CB ILE A 6 5.280 9.029 8.000 1.00 2.40 C ATOM 96 CG1 ILE A 6 4.221 9.864 7.274 1.00 2.27 C ATOM 97 CG2 ILE A 6 6.576 9.816 8.141 1.00 2.80 C ATOM 98 CD1 ILE A 6 3.769 11.080 8.051 1.00 3.11 C ATOM 0 H ILE A 6 3.456 7.427 7.326 1.00 1.91 H new ATOM 0 HA ILE A 6 6.114 7.919 6.344 1.00 2.11 H new ATOM 0 HB ILE A 6 4.912 8.793 8.998 1.00 2.40 H new ATOM 0 HG12 ILE A 6 4.621 10.186 6.313 1.00 2.27 H new ATOM 0 HG13 ILE A 6 3.356 9.235 7.065 1.00 2.27 H new ATOM 0 HG21 ILE A 6 6.382 10.744 8.679 1.00 2.80 H new ATOM 0 HG22 ILE A 6 7.304 9.222 8.693 1.00 2.80 H new ATOM 0 HG23 ILE A 6 6.971 10.046 7.152 1.00 2.80 H new ATOM 0 HD11 ILE A 6 3.019 11.622 7.475 1.00 3.11 H new ATOM 0 HD12 ILE A 6 3.338 10.765 9.001 1.00 3.11 H new ATOM 0 HD13 ILE A 6 4.623 11.731 8.238 1.00 3.11 H new ATOM 110 N ALA A 7 5.684 5.655 8.519 1.00 2.12 N ATOM 111 CA ALA A 7 6.323 4.664 9.377 1.00 2.32 C ATOM 112 C ALA A 7 7.589 4.115 8.731 1.00 2.11 C ATOM 113 O ALA A 7 8.494 3.638 9.419 1.00 2.41 O ATOM 114 CB ALA A 7 5.356 3.531 9.690 1.00 2.56 C ATOM 0 H ALA A 7 4.728 5.424 8.248 1.00 2.12 H new ATOM 0 HA ALA A 7 6.603 5.155 10.309 1.00 2.32 H new ATOM 0 HB1 ALA A 7 5.848 2.800 10.331 1.00 2.56 H new ATOM 0 HB2 ALA A 7 4.480 3.931 10.201 1.00 2.56 H new ATOM 0 HB3 ALA A 7 5.046 3.050 8.762 1.00 2.56 H new ATOM 120 N ALA A 8 7.643 4.184 7.406 1.00 1.79 N ATOM 121 CA ALA A 8 8.791 3.699 6.660 1.00 1.61 C ATOM 122 C ALA A 8 10.059 4.453 7.048 1.00 1.75 C ATOM 123 O ALA A 8 10.044 5.675 7.201 1.00 1.98 O ATOM 124 CB ALA A 8 8.537 3.819 5.165 1.00 1.44 C ATOM 0 H ALA A 8 6.900 4.574 6.827 1.00 1.79 H new ATOM 0 HA ALA A 8 8.937 2.648 6.909 1.00 1.61 H new ATOM 0 HB1 ALA A 8 9.405 3.452 4.618 1.00 1.44 H new ATOM 0 HB2 ALA A 8 7.662 3.227 4.896 1.00 1.44 H new ATOM 0 HB3 ALA A 8 8.361 4.864 4.908 1.00 1.44 H new ATOM 130 N LYS A 9 11.155 3.717 7.207 1.00 1.76 N ATOM 131 CA LYS A 9 12.433 4.317 7.575 1.00 1.95 C ATOM 132 C LYS A 9 13.437 4.177 6.438 1.00 1.64 C ATOM 133 O LYS A 9 14.008 5.165 5.976 1.00 1.76 O ATOM 134 CB LYS A 9 12.982 3.663 8.846 1.00 2.29 C ATOM 135 CG LYS A 9 13.100 4.615 10.030 1.00 2.78 C ATOM 136 CD LYS A 9 11.738 5.093 10.513 1.00 3.05 C ATOM 137 CE LYS A 9 11.403 6.475 9.976 1.00 3.46 C ATOM 138 NZ LYS A 9 10.076 6.950 10.453 1.00 4.19 N ATOM 0 H LYS A 9 11.184 2.705 7.087 1.00 1.76 H new ATOM 0 HA LYS A 9 12.271 5.378 7.767 1.00 1.95 H new ATOM 0 HB2 LYS A 9 12.334 2.832 9.124 1.00 2.29 H new ATOM 0 HB3 LYS A 9 13.965 3.243 8.631 1.00 2.29 H new ATOM 0 HG2 LYS A 9 13.620 4.115 10.847 1.00 2.78 H new ATOM 0 HG3 LYS A 9 13.706 5.475 9.745 1.00 2.78 H new ATOM 0 HD2 LYS A 9 10.971 4.385 10.198 1.00 3.05 H new ATOM 0 HD3 LYS A 9 11.725 5.113 11.603 1.00 3.05 H new ATOM 0 HE2 LYS A 9 12.174 7.181 10.285 1.00 3.46 H new ATOM 0 HE3 LYS A 9 11.410 6.452 8.886 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 9.381 6.867 9.684 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 9.770 6.371 11.261 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 10.149 7.945 10.748 1.00 4.19 H new ATOM 152 N SER A 10 13.647 2.944 5.990 1.00 1.35 N ATOM 153 CA SER A 10 14.576 2.674 4.898 1.00 1.09 C ATOM 154 C SER A 10 13.912 2.948 3.555 1.00 1.11 C ATOM 155 O SER A 10 12.823 2.448 3.280 1.00 1.47 O ATOM 156 CB SER A 10 15.062 1.225 4.953 1.00 0.96 C ATOM 157 OG SER A 10 15.903 0.926 3.852 1.00 1.54 O ATOM 0 H SER A 10 13.186 2.115 6.366 1.00 1.35 H new ATOM 0 HA SER A 10 15.435 3.336 5.009 1.00 1.09 H new ATOM 0 HB2 SER A 10 15.603 1.055 5.884 1.00 0.96 H new ATOM 0 HB3 SER A 10 14.206 0.551 4.954 1.00 0.96 H new ATOM 0 HG SER A 10 16.201 -0.006 3.912 1.00 1.54 H new ATOM 163 N GLN A 11 14.573 3.760 2.734 1.00 1.09 N ATOM 164 CA GLN A 11 14.058 4.109 1.414 1.00 1.17 C ATOM 165 C GLN A 11 13.535 2.881 0.678 1.00 0.87 C ATOM 166 O GLN A 11 12.532 2.955 -0.032 1.00 0.82 O ATOM 167 CB GLN A 11 15.147 4.786 0.584 1.00 1.50 C ATOM 168 CG GLN A 11 14.691 5.180 -0.812 1.00 1.71 C ATOM 169 CD GLN A 11 15.831 5.689 -1.676 1.00 2.37 C ATOM 170 OE1 GLN A 11 16.978 5.266 -1.525 1.00 3.07 O ATOM 171 NE2 GLN A 11 15.521 6.602 -2.588 1.00 2.75 N ATOM 0 H GLN A 11 15.470 4.190 2.961 1.00 1.09 H new ATOM 0 HA GLN A 11 13.227 4.801 1.554 1.00 1.17 H new ATOM 0 HB2 GLN A 11 15.492 5.677 1.109 1.00 1.50 H new ATOM 0 HB3 GLN A 11 16.001 4.113 0.502 1.00 1.50 H new ATOM 0 HG2 GLN A 11 14.229 4.319 -1.296 1.00 1.71 H new ATOM 0 HG3 GLN A 11 13.925 5.952 -0.736 1.00 1.71 H new ATOM 0 HE21 GLN A 11 14.558 6.925 -2.680 1.00 2.75 H new ATOM 0 HE22 GLN A 11 16.246 6.981 -3.197 1.00 2.75 H new ATOM 180 N GLU A 12 14.217 1.752 0.849 1.00 0.84 N ATOM 181 CA GLU A 12 13.802 0.515 0.201 1.00 0.83 C ATOM 182 C GLU A 12 12.395 0.145 0.645 1.00 0.63 C ATOM 183 O GLU A 12 11.559 -0.252 -0.163 1.00 0.77 O ATOM 184 CB GLU A 12 14.775 -0.619 0.534 1.00 1.10 C ATOM 185 CG GLU A 12 16.206 -0.339 0.107 1.00 1.70 C ATOM 186 CD GLU A 12 16.345 -0.169 -1.392 1.00 2.48 C ATOM 187 OE1 GLU A 12 16.557 -1.183 -2.089 1.00 2.69 O ATOM 188 OE2 GLU A 12 16.243 0.982 -1.869 1.00 3.39 O ATOM 0 H GLU A 12 15.053 1.669 1.427 1.00 0.84 H new ATOM 0 HA GLU A 12 13.807 0.668 -0.878 1.00 0.83 H new ATOM 0 HB2 GLU A 12 14.754 -0.800 1.609 1.00 1.10 H new ATOM 0 HB3 GLU A 12 14.433 -1.534 0.050 1.00 1.10 H new ATOM 0 HG2 GLU A 12 16.560 0.563 0.605 1.00 1.70 H new ATOM 0 HG3 GLU A 12 16.846 -1.157 0.437 1.00 1.70 H new ATOM 195 N GLU A 13 12.143 0.284 1.943 1.00 0.53 N ATOM 196 CA GLU A 13 10.837 -0.019 2.510 1.00 0.58 C ATOM 197 C GLU A 13 9.823 1.048 2.112 1.00 0.52 C ATOM 198 O GLU A 13 8.619 0.795 2.085 1.00 0.57 O ATOM 199 CB GLU A 13 10.925 -0.100 4.036 1.00 0.82 C ATOM 200 CG GLU A 13 12.039 -1.006 4.537 1.00 0.84 C ATOM 201 CD GLU A 13 12.104 -1.066 6.051 1.00 1.53 C ATOM 202 OE1 GLU A 13 12.675 -0.138 6.658 1.00 1.54 O ATOM 203 OE2 GLU A 13 11.580 -2.043 6.628 1.00 2.54 O ATOM 0 H GLU A 13 12.831 0.606 2.623 1.00 0.53 H new ATOM 0 HA GLU A 13 10.510 -0.983 2.119 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.077 0.903 4.436 1.00 0.82 H new ATOM 0 HB3 GLU A 13 9.973 -0.459 4.427 1.00 0.82 H new ATOM 0 HG2 GLU A 13 11.890 -2.011 4.143 1.00 0.84 H new ATOM 0 HG3 GLU A 13 12.994 -0.650 4.150 1.00 0.84 H new ATOM 210 N ARG A 14 10.320 2.244 1.805 1.00 0.48 N ATOM 211 CA ARG A 14 9.460 3.355 1.416 1.00 0.50 C ATOM 212 C ARG A 14 8.827 3.113 0.050 1.00 0.40 C ATOM 213 O ARG A 14 7.626 3.261 -0.118 1.00 0.52 O ATOM 214 CB ARG A 14 10.257 4.662 1.387 1.00 0.58 C ATOM 215 CG ARG A 14 10.892 5.020 2.717 1.00 1.42 C ATOM 216 CD ARG A 14 11.597 6.363 2.644 1.00 1.47 C ATOM 217 NE ARG A 14 12.233 6.722 3.910 1.00 2.39 N ATOM 218 CZ ARG A 14 12.995 7.800 4.074 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.224 8.617 3.055 1.00 1.96 N ATOM 220 NH2 ARG A 14 13.529 8.062 5.259 1.00 3.70 N ATOM 0 H ARG A 14 11.315 2.467 1.819 1.00 0.48 H new ATOM 0 HA ARG A 14 8.665 3.432 2.157 1.00 0.50 H new ATOM 0 HB2 ARG A 14 11.038 4.584 0.631 1.00 0.58 H new ATOM 0 HB3 ARG A 14 9.597 5.473 1.080 1.00 0.58 H new ATOM 0 HG2 ARG A 14 10.127 5.050 3.492 1.00 1.42 H new ATOM 0 HG3 ARG A 14 11.605 4.247 3.003 1.00 1.42 H new ATOM 0 HD2 ARG A 14 12.350 6.334 1.856 1.00 1.47 H new ATOM 0 HD3 ARG A 14 10.878 7.135 2.369 1.00 1.47 H new ATOM 0 HE ARG A 14 12.084 6.111 4.713 1.00 2.39 H new ATOM 0 HH11 ARG A 14 12.815 8.420 2.141 1.00 1.96 H new ATOM 0 HH12 ARG A 14 13.809 9.443 3.185 1.00 1.96 H new ATOM 0 HH21 ARG A 14 13.356 7.437 6.046 1.00 3.70 H new ATOM 0 HH22 ARG A 14 14.113 8.889 5.384 1.00 3.70 H new ATOM 234 N ASP A 15 9.640 2.719 -0.916 1.00 0.30 N ATOM 235 CA ASP A 15 9.152 2.475 -2.271 1.00 0.37 C ATOM 236 C ASP A 15 8.076 1.396 -2.285 1.00 0.35 C ATOM 237 O ASP A 15 7.002 1.588 -2.855 1.00 0.47 O ATOM 238 CB ASP A 15 10.306 2.066 -3.188 1.00 0.47 C ATOM 239 CG ASP A 15 11.294 3.193 -3.412 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.026 4.056 -4.275 1.00 0.93 O ATOM 241 OD2 ASP A 15 12.338 3.212 -2.728 1.00 0.71 O ATOM 0 H ASP A 15 10.640 2.560 -0.792 1.00 0.30 H new ATOM 0 HA ASP A 15 8.713 3.403 -2.637 1.00 0.37 H new ATOM 0 HB2 ASP A 15 10.826 1.212 -2.754 1.00 0.47 H new ATOM 0 HB3 ASP A 15 9.906 1.741 -4.148 1.00 0.47 H new ATOM 246 N LYS A 16 8.370 0.263 -1.658 1.00 0.30 N ATOM 247 CA LYS A 16 7.427 -0.851 -1.607 1.00 0.32 C ATOM 248 C LYS A 16 6.135 -0.452 -0.902 1.00 0.29 C ATOM 249 O LYS A 16 5.047 -0.558 -1.461 1.00 0.43 O ATOM 250 CB LYS A 16 8.053 -2.046 -0.886 1.00 0.35 C ATOM 251 CG LYS A 16 9.480 -2.340 -1.310 1.00 0.42 C ATOM 252 CD LYS A 16 9.930 -3.713 -0.839 1.00 0.45 C ATOM 253 CE LYS A 16 9.185 -4.821 -1.568 1.00 0.62 C ATOM 254 NZ LYS A 16 9.752 -6.164 -1.267 1.00 1.38 N ATOM 0 H LYS A 16 9.253 0.090 -1.178 1.00 0.30 H new ATOM 0 HA LYS A 16 7.190 -1.129 -2.634 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.034 -1.861 0.188 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.441 -2.929 -1.068 1.00 0.35 H new ATOM 0 HG2 LYS A 16 9.557 -2.284 -2.396 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.146 -1.579 -0.903 1.00 0.42 H new ATOM 0 HD2 LYS A 16 11.002 -3.823 -1.004 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.762 -3.804 0.234 1.00 0.45 H new ATOM 0 HE2 LYS A 16 8.133 -4.799 -1.283 1.00 0.62 H new ATOM 0 HE3 LYS A 16 9.228 -4.641 -2.642 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 9.216 -6.891 -1.783 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 10.749 -6.194 -1.562 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 9.688 -6.347 -0.245 1.00 1.38 H new ATOM 268 N VAL A 17 6.272 0.021 0.325 1.00 0.24 N ATOM 269 CA VAL A 17 5.121 0.418 1.123 1.00 0.23 C ATOM 270 C VAL A 17 4.302 1.500 0.415 1.00 0.27 C ATOM 271 O VAL A 17 3.073 1.508 0.487 1.00 0.36 O ATOM 272 CB VAL A 17 5.557 0.906 2.502 1.00 0.22 C ATOM 273 CG1 VAL A 17 5.992 2.334 2.406 1.00 1.27 C ATOM 274 CG2 VAL A 17 4.443 0.731 3.520 1.00 1.23 C ATOM 0 H VAL A 17 7.171 0.140 0.793 1.00 0.24 H new ATOM 0 HA VAL A 17 4.490 -0.462 1.248 1.00 0.23 H new ATOM 0 HB VAL A 17 6.399 0.305 2.846 1.00 0.22 H new ATOM 0 HG11 VAL A 17 6.304 2.686 3.389 1.00 1.27 H new ATOM 0 HG12 VAL A 17 6.827 2.414 1.710 1.00 1.27 H new ATOM 0 HG13 VAL A 17 5.162 2.944 2.049 1.00 1.27 H new ATOM 0 HG21 VAL A 17 4.781 1.087 4.494 1.00 1.23 H new ATOM 0 HG22 VAL A 17 3.571 1.304 3.207 1.00 1.23 H new ATOM 0 HG23 VAL A 17 4.178 -0.324 3.591 1.00 1.23 H new ATOM 284 N ASN A 18 4.995 2.412 -0.261 1.00 0.27 N ATOM 285 CA ASN A 18 4.336 3.488 -0.999 1.00 0.32 C ATOM 286 C ASN A 18 3.449 2.904 -2.090 1.00 0.27 C ATOM 287 O ASN A 18 2.387 3.441 -2.409 1.00 0.25 O ATOM 288 CB ASN A 18 5.372 4.430 -1.617 1.00 0.39 C ATOM 289 CG ASN A 18 5.979 5.389 -0.609 1.00 0.44 C ATOM 290 OD1 ASN A 18 6.028 4.975 0.654 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 6.400 6.492 -0.959 1.00 0.22 N flip ATOM 0 H ASN A 18 6.014 2.428 -0.314 1.00 0.27 H new ATOM 0 HA ASN A 18 3.720 4.058 -0.303 1.00 0.32 H new ATOM 0 HB2 ASN A 18 6.167 3.839 -2.072 1.00 0.39 H new ATOM 0 HB3 ASN A 18 4.903 5.002 -2.417 1.00 0.39 H new ATOM 0 HD21 ASN A 18 6.344 6.772 -1.938 1.00 0.22 H new ATOM 0 HD22 ASN A 18 6.805 7.126 -0.270 1.00 0.22 H new ATOM 298 N VAL A 19 3.901 1.798 -2.661 1.00 0.33 N ATOM 299 CA VAL A 19 3.155 1.119 -3.705 1.00 0.32 C ATOM 300 C VAL A 19 2.044 0.280 -3.082 1.00 0.33 C ATOM 301 O VAL A 19 1.066 -0.073 -3.741 1.00 0.32 O ATOM 302 CB VAL A 19 4.078 0.230 -4.572 1.00 0.34 C ATOM 303 CG1 VAL A 19 3.941 -1.240 -4.201 1.00 0.40 C ATOM 304 CG2 VAL A 19 3.789 0.443 -6.050 1.00 0.32 C ATOM 0 H VAL A 19 4.785 1.351 -2.416 1.00 0.33 H new ATOM 0 HA VAL A 19 2.716 1.874 -4.357 1.00 0.32 H new ATOM 0 HB VAL A 19 5.109 0.525 -4.375 1.00 0.34 H new ATOM 0 HG11 VAL A 19 4.603 -1.837 -4.829 1.00 0.40 H new ATOM 0 HG12 VAL A 19 4.212 -1.378 -3.154 1.00 0.40 H new ATOM 0 HG13 VAL A 19 2.910 -1.559 -4.354 1.00 0.40 H new ATOM 0 HG21 VAL A 19 4.448 -0.190 -6.644 1.00 0.32 H new ATOM 0 HG22 VAL A 19 2.751 0.184 -6.259 1.00 0.32 H new ATOM 0 HG23 VAL A 19 3.961 1.488 -6.307 1.00 0.32 H new ATOM 314 N ASP A 20 2.214 -0.031 -1.797 1.00 0.37 N ATOM 315 CA ASP A 20 1.246 -0.831 -1.059 1.00 0.40 C ATOM 316 C ASP A 20 -0.016 -0.020 -0.795 1.00 0.40 C ATOM 317 O ASP A 20 -1.132 -0.532 -0.901 1.00 0.41 O ATOM 318 CB ASP A 20 1.854 -1.298 0.265 1.00 0.46 C ATOM 319 CG ASP A 20 0.972 -2.290 0.997 1.00 0.62 C ATOM 320 OD1 ASP A 20 -0.104 -1.882 1.479 1.00 0.82 O ATOM 321 OD2 ASP A 20 1.359 -3.476 1.088 1.00 0.84 O ATOM 0 H ASP A 20 3.020 0.263 -1.245 1.00 0.37 H new ATOM 0 HA ASP A 20 0.984 -1.704 -1.657 1.00 0.40 H new ATOM 0 HB2 ASP A 20 2.825 -1.754 0.073 1.00 0.46 H new ATOM 0 HB3 ASP A 20 2.029 -0.433 0.905 1.00 0.46 H new ATOM 326 N LEU A 21 0.168 1.252 -0.452 1.00 0.40 N ATOM 327 CA LEU A 21 -0.957 2.131 -0.184 1.00 0.43 C ATOM 328 C LEU A 21 -1.635 2.488 -1.494 1.00 0.30 C ATOM 329 O LEU A 21 -2.831 2.771 -1.537 1.00 0.31 O ATOM 330 CB LEU A 21 -0.498 3.396 0.552 1.00 0.57 C ATOM 331 CG LEU A 21 0.545 4.242 -0.185 1.00 0.67 C ATOM 332 CD1 LEU A 21 -0.121 5.177 -1.185 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.387 5.035 0.802 1.00 1.07 C ATOM 0 H LEU A 21 1.083 1.692 -0.354 1.00 0.40 H new ATOM 0 HA LEU A 21 -1.669 1.615 0.460 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -1.371 4.018 0.750 1.00 0.57 H new ATOM 0 HB3 LEU A 21 -0.088 3.105 1.519 1.00 0.57 H new ATOM 0 HG LEU A 21 1.200 3.565 -0.734 1.00 0.67 H new ATOM 0 HD11 LEU A 21 0.641 5.767 -1.695 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.677 4.591 -1.917 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.805 5.844 -0.660 1.00 0.73 H new ATOM 0 HD21 LEU A 21 2.122 5.629 0.258 1.00 1.07 H new ATOM 0 HD22 LEU A 21 0.742 5.696 1.381 1.00 1.07 H new ATOM 0 HD23 LEU A 21 1.901 4.349 1.475 1.00 1.07 H new ATOM 345 N ALA A 22 -0.846 2.477 -2.566 1.00 0.24 N ATOM 346 CA ALA A 22 -1.352 2.780 -3.891 1.00 0.23 C ATOM 347 C ALA A 22 -2.473 1.820 -4.270 1.00 0.26 C ATOM 348 O ALA A 22 -3.510 2.229 -4.789 1.00 0.39 O ATOM 349 CB ALA A 22 -0.227 2.714 -4.909 1.00 0.26 C ATOM 0 H ALA A 22 0.150 2.260 -2.536 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.758 3.792 -3.885 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.619 2.943 -5.900 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.544 3.439 -4.647 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.203 1.712 -4.912 1.00 0.26 H new ATOM 355 N ALA A 23 -2.253 0.538 -4.001 1.00 0.26 N ATOM 356 CA ALA A 23 -3.243 -0.487 -4.305 1.00 0.38 C ATOM 357 C ALA A 23 -4.410 -0.421 -3.329 1.00 0.36 C ATOM 358 O ALA A 23 -5.525 -0.834 -3.647 1.00 0.58 O ATOM 359 CB ALA A 23 -2.605 -1.866 -4.264 1.00 0.49 C ATOM 0 H ALA A 23 -1.397 0.184 -3.573 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.624 -0.303 -5.309 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -3.357 -2.622 -4.493 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.803 -1.918 -5.000 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -2.198 -2.049 -3.270 1.00 0.49 H new ATOM 365 N SER A 24 -4.144 0.106 -2.138 1.00 0.30 N ATOM 366 CA SER A 24 -5.176 0.218 -1.108 1.00 0.33 C ATOM 367 C SER A 24 -6.184 1.314 -1.434 1.00 0.27 C ATOM 368 O SER A 24 -7.359 1.041 -1.647 1.00 0.33 O ATOM 369 CB SER A 24 -4.550 0.499 0.258 1.00 0.43 C ATOM 370 OG SER A 24 -5.528 0.456 1.283 1.00 1.36 O ATOM 0 H SER A 24 -3.229 0.461 -1.861 1.00 0.30 H new ATOM 0 HA SER A 24 -5.701 -0.737 -1.080 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.771 -0.235 0.463 1.00 0.43 H new ATOM 0 HB3 SER A 24 -4.071 1.478 0.248 1.00 0.43 H new ATOM 0 HG SER A 24 -5.104 0.637 2.148 1.00 1.36 H new ATOM 376 N GLY A 25 -5.720 2.553 -1.506 1.00 0.27 N ATOM 377 CA GLY A 25 -6.619 3.655 -1.782 1.00 0.34 C ATOM 378 C GLY A 25 -7.412 3.451 -3.055 1.00 0.33 C ATOM 379 O GLY A 25 -8.626 3.634 -3.071 1.00 0.43 O ATOM 0 H GLY A 25 -4.742 2.814 -1.379 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -7.307 3.777 -0.945 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -6.044 4.578 -1.860 1.00 0.34 H new ATOM 383 N VAL A 26 -6.726 3.053 -4.117 1.00 0.29 N ATOM 384 CA VAL A 26 -7.369 2.838 -5.405 1.00 0.37 C ATOM 385 C VAL A 26 -8.518 1.828 -5.321 1.00 0.44 C ATOM 386 O VAL A 26 -9.658 2.150 -5.653 1.00 0.53 O ATOM 387 CB VAL A 26 -6.350 2.363 -6.462 1.00 0.44 C ATOM 388 CG1 VAL A 26 -7.053 1.934 -7.742 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.338 3.461 -6.753 1.00 1.09 C ATOM 0 H VAL A 26 -5.722 2.872 -4.112 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.783 3.801 -5.704 1.00 0.37 H new ATOM 0 HB VAL A 26 -5.822 1.498 -6.060 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -6.313 1.604 -8.471 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -7.738 1.115 -7.524 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -7.613 2.776 -8.150 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -4.626 3.111 -7.500 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.856 4.343 -7.130 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -4.806 3.717 -5.837 1.00 1.09 H new ATOM 399 N ALA A 27 -8.216 0.608 -4.877 1.00 0.44 N ATOM 400 CA ALA A 27 -9.230 -0.447 -4.793 1.00 0.54 C ATOM 401 C ALA A 27 -9.994 -0.458 -3.466 1.00 0.51 C ATOM 402 O ALA A 27 -11.223 -0.381 -3.454 1.00 0.59 O ATOM 403 CB ALA A 27 -8.582 -1.805 -5.028 1.00 0.61 C ATOM 0 H ALA A 27 -7.285 0.325 -4.572 1.00 0.44 H new ATOM 0 HA ALA A 27 -9.964 -0.234 -5.570 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -9.340 -2.586 -4.964 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -8.124 -1.823 -6.017 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -7.817 -1.979 -4.271 1.00 0.61 H new ATOM 409 N TYR A 28 -9.266 -0.558 -2.355 1.00 0.42 N ATOM 410 CA TYR A 28 -9.884 -0.623 -1.026 1.00 0.43 C ATOM 411 C TYR A 28 -10.926 0.475 -0.804 1.00 0.49 C ATOM 412 O TYR A 28 -12.029 0.189 -0.337 1.00 0.72 O ATOM 413 CB TYR A 28 -8.807 -0.570 0.069 1.00 0.37 C ATOM 414 CG TYR A 28 -8.809 -1.753 1.022 1.00 0.44 C ATOM 415 CD1 TYR A 28 -9.343 -2.971 0.626 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.273 -1.660 2.308 1.00 0.54 C ATOM 417 CE1 TYR A 28 -9.347 -4.062 1.474 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.269 -2.749 3.160 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.814 -3.896 2.802 1.00 0.63 C ATOM 420 OH TYR A 28 -8.807 -5.034 3.581 1.00 0.77 O ATOM 0 H TYR A 28 -8.247 -0.596 -2.346 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.411 -1.575 -0.968 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.828 -0.506 -0.406 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.941 0.344 0.647 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.764 -3.068 -0.364 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -7.855 -0.722 2.643 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.740 -5.014 1.150 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -7.812 -2.659 4.135 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.428 -4.826 4.461 1.00 0.77 H new ATOM 430 N LYS A 29 -10.596 1.724 -1.126 1.00 0.37 N ATOM 431 CA LYS A 29 -11.549 2.820 -0.932 1.00 0.40 C ATOM 432 C LYS A 29 -12.827 2.579 -1.731 1.00 0.48 C ATOM 433 O LYS A 29 -13.932 2.703 -1.203 1.00 0.55 O ATOM 434 CB LYS A 29 -10.929 4.165 -1.326 1.00 0.40 C ATOM 435 CG LYS A 29 -11.940 5.301 -1.499 1.00 0.50 C ATOM 436 CD LYS A 29 -12.892 5.422 -0.315 1.00 1.23 C ATOM 437 CE LYS A 29 -13.743 6.679 -0.410 1.00 1.67 C ATOM 438 NZ LYS A 29 -12.923 7.916 -0.295 1.00 2.30 N ATOM 0 H LYS A 29 -9.695 2.002 -1.515 1.00 0.37 H new ATOM 0 HA LYS A 29 -11.802 2.853 0.128 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -10.203 4.453 -0.565 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.380 4.039 -2.259 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -11.405 6.242 -1.628 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -12.517 5.134 -2.409 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -13.539 4.546 -0.276 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -12.320 5.438 0.613 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -14.277 6.685 -1.360 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -14.496 6.668 0.378 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -13.399 8.590 0.338 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -11.988 7.678 0.093 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -12.809 8.346 -1.235 1.00 2.30 H new ATOM 452 N GLU A 30 -12.672 2.222 -3.001 1.00 0.51 N ATOM 453 CA GLU A 30 -13.822 1.976 -3.865 1.00 0.60 C ATOM 454 C GLU A 30 -14.576 0.716 -3.448 1.00 0.72 C ATOM 455 O GLU A 30 -15.471 0.255 -4.157 1.00 0.99 O ATOM 456 CB GLU A 30 -13.378 1.866 -5.325 1.00 0.77 C ATOM 457 CG GLU A 30 -12.764 3.144 -5.871 1.00 1.20 C ATOM 458 CD GLU A 30 -12.457 3.057 -7.353 1.00 1.95 C ATOM 459 OE1 GLU A 30 -13.377 3.290 -8.164 1.00 2.35 O ATOM 460 OE2 GLU A 30 -11.295 2.755 -7.703 1.00 2.65 O ATOM 0 H GLU A 30 -11.767 2.097 -3.454 1.00 0.51 H new ATOM 0 HA GLU A 30 -14.501 2.823 -3.762 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -12.653 1.057 -5.416 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.237 1.595 -5.938 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -13.446 3.975 -5.693 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -11.846 3.363 -5.326 1.00 1.20 H new ATOM 467 N ARG A 31 -14.209 0.163 -2.296 1.00 0.67 N ATOM 468 CA ARG A 31 -14.859 -1.038 -1.784 1.00 0.85 C ATOM 469 C ARG A 31 -15.474 -0.780 -0.409 1.00 0.86 C ATOM 470 O ARG A 31 -16.696 -0.769 -0.259 1.00 1.62 O ATOM 471 CB ARG A 31 -13.858 -2.194 -1.700 1.00 0.91 C ATOM 472 CG ARG A 31 -13.352 -2.676 -3.053 1.00 1.48 C ATOM 473 CD ARG A 31 -14.490 -3.161 -3.939 1.00 1.55 C ATOM 474 NE ARG A 31 -14.008 -3.670 -5.220 1.00 1.36 N ATOM 475 CZ ARG A 31 -14.782 -3.822 -6.291 1.00 1.60 C ATOM 476 NH1 ARG A 31 -16.068 -3.498 -6.236 1.00 2.36 N ATOM 477 NH2 ARG A 31 -14.272 -4.296 -7.420 1.00 1.64 N ATOM 0 H ARG A 31 -13.466 0.527 -1.700 1.00 0.67 H new ATOM 0 HA ARG A 31 -15.657 -1.310 -2.475 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -13.007 -1.880 -1.096 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -14.327 -3.030 -1.180 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -12.822 -1.866 -3.553 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -12.635 -3.484 -2.907 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -15.043 -3.946 -3.422 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -15.188 -2.342 -4.114 1.00 1.55 H new ATOM 0 HE ARG A 31 -13.023 -3.923 -5.298 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -16.465 -3.131 -5.371 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -16.659 -3.616 -7.059 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -13.284 -4.545 -7.468 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -14.868 -4.412 -8.240 1.00 1.64 H new ATOM 491 N LEU A 32 -14.618 -0.560 0.587 1.00 0.89 N ATOM 492 CA LEU A 32 -15.059 -0.313 1.950 1.00 0.81 C ATOM 493 C LEU A 32 -15.168 1.194 2.196 1.00 0.96 C ATOM 494 O LEU A 32 -15.800 1.914 1.422 1.00 1.34 O ATOM 495 CB LEU A 32 -14.061 -0.926 2.944 1.00 0.66 C ATOM 496 CG LEU A 32 -13.459 -2.298 2.602 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.316 -3.111 1.648 1.00 0.57 C ATOM 498 CD2 LEU A 32 -12.073 -2.126 2.030 1.00 0.84 C ATOM 0 H LEU A 32 -13.605 -0.549 0.469 1.00 0.89 H new ATOM 0 HA LEU A 32 -16.036 -0.774 2.094 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.239 -0.222 3.070 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -14.559 -1.010 3.910 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.414 -2.859 3.536 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -13.832 -4.067 1.449 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.294 -3.285 2.096 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -14.438 -2.565 0.713 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.654 -3.103 1.791 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -12.126 -1.522 1.124 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.437 -1.628 2.762 1.00 0.84 H new ATOM 510 N ASN A 33 -14.548 1.666 3.281 1.00 1.19 N ATOM 511 CA ASN A 33 -14.549 3.079 3.617 1.00 1.38 C ATOM 512 C ASN A 33 -13.125 3.529 3.927 1.00 1.19 C ATOM 513 O ASN A 33 -12.742 3.671 5.089 1.00 1.59 O ATOM 514 CB ASN A 33 -15.464 3.350 4.813 1.00 1.78 C ATOM 515 CG ASN A 33 -15.655 4.831 5.067 1.00 2.08 C ATOM 516 OD1 ASN A 33 -16.573 5.452 4.533 1.00 2.08 O ATOM 517 ND2 ASN A 33 -14.784 5.408 5.889 1.00 3.05 N ATOM 0 H ASN A 33 -14.038 1.080 3.941 1.00 1.19 H new ATOM 0 HA ASN A 33 -14.929 3.644 2.766 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -16.434 2.886 4.638 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -15.043 2.882 5.703 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -14.862 6.403 6.098 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -14.037 4.855 6.311 1.00 3.05 H new ATOM 524 N ILE A 34 -12.343 3.734 2.872 1.00 0.75 N ATOM 525 CA ILE A 34 -10.951 4.161 3.013 1.00 0.62 C ATOM 526 C ILE A 34 -10.791 5.595 2.502 1.00 0.54 C ATOM 527 O ILE A 34 -10.483 5.821 1.332 1.00 0.68 O ATOM 528 CB ILE A 34 -9.987 3.202 2.267 1.00 0.56 C ATOM 529 CG1 ILE A 34 -9.858 1.876 3.017 1.00 0.64 C ATOM 530 CG2 ILE A 34 -8.616 3.826 2.077 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.131 1.067 3.043 1.00 0.65 C ATOM 0 H ILE A 34 -12.649 3.612 1.907 1.00 0.75 H new ATOM 0 HA ILE A 34 -10.689 4.130 4.071 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.413 3.013 1.282 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.070 1.282 2.554 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -9.545 2.077 4.042 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -7.967 3.126 1.551 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -8.711 4.742 1.493 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.184 4.059 3.050 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -10.962 0.141 3.592 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -11.917 1.641 3.533 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.435 0.834 2.023 1.00 0.65 H new ATOM 543 N PRO A 35 -11.004 6.588 3.386 1.00 0.46 N ATOM 544 CA PRO A 35 -10.922 8.011 3.024 1.00 0.49 C ATOM 545 C PRO A 35 -9.509 8.468 2.682 1.00 0.51 C ATOM 546 O PRO A 35 -8.814 9.045 3.521 1.00 0.56 O ATOM 547 CB PRO A 35 -11.407 8.715 4.290 1.00 0.58 C ATOM 548 CG PRO A 35 -11.042 7.773 5.378 1.00 0.62 C ATOM 549 CD PRO A 35 -11.323 6.413 4.816 1.00 0.56 C ATOM 0 HA PRO A 35 -11.505 8.229 2.129 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -10.924 9.683 4.420 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -12.481 8.896 4.261 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -9.993 7.877 5.656 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -11.630 7.959 6.277 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -10.703 5.646 5.280 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -12.361 6.118 4.967 1.00 0.56 H new ATOM 557 N VAL A 36 -9.087 8.207 1.452 1.00 0.54 N ATOM 558 CA VAL A 36 -7.761 8.606 1.001 1.00 0.59 C ATOM 559 C VAL A 36 -7.786 8.993 -0.475 1.00 0.57 C ATOM 560 O VAL A 36 -8.682 8.589 -1.216 1.00 0.58 O ATOM 561 CB VAL A 36 -6.726 7.484 1.219 1.00 0.61 C ATOM 562 CG1 VAL A 36 -6.690 7.058 2.681 1.00 1.14 C ATOM 563 CG2 VAL A 36 -7.030 6.302 0.318 1.00 0.88 C ATOM 0 H VAL A 36 -9.644 7.721 0.749 1.00 0.54 H new ATOM 0 HA VAL A 36 -7.466 9.470 1.597 1.00 0.59 H new ATOM 0 HB VAL A 36 -5.740 7.869 0.958 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -5.953 6.266 2.811 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.419 7.912 3.302 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -7.673 6.692 2.977 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -6.291 5.519 0.484 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.024 5.917 0.546 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -6.994 6.620 -0.724 1.00 0.88 H new ATOM 573 N ILE A 37 -6.801 9.778 -0.896 1.00 0.60 N ATOM 574 CA ILE A 37 -6.717 10.225 -2.283 1.00 0.64 C ATOM 575 C ILE A 37 -6.031 9.175 -3.154 1.00 0.59 C ATOM 576 O ILE A 37 -4.899 8.776 -2.881 1.00 0.57 O ATOM 577 CB ILE A 37 -5.945 11.554 -2.395 1.00 0.77 C ATOM 578 CG1 ILE A 37 -6.484 12.578 -1.389 1.00 0.87 C ATOM 579 CG2 ILE A 37 -6.021 12.099 -3.814 1.00 0.85 C ATOM 580 CD1 ILE A 37 -7.944 12.924 -1.589 1.00 0.90 C ATOM 0 H ILE A 37 -6.049 10.119 -0.297 1.00 0.60 H new ATOM 0 HA ILE A 37 -7.738 10.375 -2.634 1.00 0.64 H new ATOM 0 HB ILE A 37 -4.898 11.364 -2.159 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -6.348 12.188 -0.380 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -5.891 13.490 -1.461 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -5.470 13.038 -3.873 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -5.584 11.378 -4.505 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -7.063 12.273 -4.082 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -8.251 13.654 -0.840 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -8.085 13.345 -2.584 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -8.549 12.023 -1.487 1.00 0.90 H new ATOM 592 N ALA A 38 -6.721 8.729 -4.204 1.00 0.59 N ATOM 593 CA ALA A 38 -6.166 7.726 -5.106 1.00 0.61 C ATOM 594 C ALA A 38 -5.172 8.354 -6.076 1.00 0.57 C ATOM 595 O ALA A 38 -4.043 7.892 -6.202 1.00 0.64 O ATOM 596 CB ALA A 38 -7.279 7.022 -5.865 1.00 0.67 C ATOM 0 H ALA A 38 -7.659 9.046 -4.448 1.00 0.59 H new ATOM 0 HA ALA A 38 -5.632 6.988 -4.507 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -6.848 6.277 -6.534 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -7.948 6.532 -5.158 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -7.840 7.752 -6.448 1.00 0.67 H new ATOM 602 N GLU A 39 -5.612 9.391 -6.785 1.00 0.51 N ATOM 603 CA GLU A 39 -4.741 10.097 -7.723 1.00 0.57 C ATOM 604 C GLU A 39 -3.438 10.533 -7.052 1.00 0.47 C ATOM 605 O GLU A 39 -2.459 10.850 -7.727 1.00 0.50 O ATOM 606 CB GLU A 39 -5.456 11.303 -8.324 1.00 0.76 C ATOM 607 CG GLU A 39 -6.178 12.159 -7.299 1.00 0.57 C ATOM 608 CD GLU A 39 -6.918 13.324 -7.927 1.00 0.94 C ATOM 609 OE1 GLU A 39 -8.083 13.137 -8.335 1.00 1.23 O ATOM 610 OE2 GLU A 39 -6.331 14.425 -8.011 1.00 1.28 O ATOM 0 H GLU A 39 -6.561 9.760 -6.729 1.00 0.51 H new ATOM 0 HA GLU A 39 -4.492 9.403 -8.526 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -4.728 11.920 -8.851 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.176 10.955 -9.065 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -6.885 11.539 -6.748 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -5.456 12.539 -6.576 1.00 0.57 H new ATOM 617 N GLN A 40 -3.436 10.553 -5.722 1.00 0.43 N ATOM 618 CA GLN A 40 -2.244 10.925 -4.968 1.00 0.45 C ATOM 619 C GLN A 40 -1.200 9.832 -5.113 1.00 0.37 C ATOM 620 O GLN A 40 0.002 10.084 -5.096 1.00 0.47 O ATOM 621 CB GLN A 40 -2.576 11.107 -3.490 1.00 0.55 C ATOM 622 CG GLN A 40 -2.184 12.467 -2.935 1.00 0.49 C ATOM 623 CD GLN A 40 -2.585 12.642 -1.482 1.00 0.48 C ATOM 624 OE1 GLN A 40 -2.624 11.679 -0.718 1.00 0.75 O ATOM 625 NE2 GLN A 40 -2.888 13.878 -1.095 1.00 0.75 N ATOM 0 H GLN A 40 -4.244 10.317 -5.146 1.00 0.43 H new ATOM 0 HA GLN A 40 -1.862 11.867 -5.360 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -3.647 10.962 -3.347 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -2.070 10.331 -2.916 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -1.106 12.596 -3.029 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -2.652 13.248 -3.534 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -2.842 14.647 -1.763 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -3.166 14.056 -0.130 1.00 0.75 H new ATOM 634 N VAL A 41 -1.693 8.609 -5.239 1.00 0.31 N ATOM 635 CA VAL A 41 -0.841 7.444 -5.398 1.00 0.31 C ATOM 636 C VAL A 41 -0.603 7.161 -6.879 1.00 0.33 C ATOM 637 O VAL A 41 0.332 6.450 -7.247 1.00 0.43 O ATOM 638 CB VAL A 41 -1.469 6.191 -4.744 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.316 6.573 -3.540 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.300 5.404 -5.751 1.00 0.35 C ATOM 0 H VAL A 41 -2.691 8.398 -5.234 1.00 0.31 H new ATOM 0 HA VAL A 41 0.105 7.662 -4.903 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.654 5.553 -4.402 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.746 5.674 -3.098 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.693 7.078 -2.802 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.117 7.241 -3.856 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -2.729 4.529 -5.263 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.102 6.036 -6.134 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -1.664 5.084 -6.577 1.00 0.35 H new ATOM 650 N ALA A 42 -1.466 7.726 -7.720 1.00 0.34 N ATOM 651 CA ALA A 42 -1.388 7.514 -9.158 1.00 0.44 C ATOM 652 C ALA A 42 -0.350 8.406 -9.835 1.00 0.57 C ATOM 653 O ALA A 42 0.040 8.149 -10.973 1.00 0.77 O ATOM 654 CB ALA A 42 -2.758 7.715 -9.790 1.00 0.42 C ATOM 0 H ALA A 42 -2.229 8.336 -7.426 1.00 0.34 H new ATOM 0 HA ALA A 42 -1.061 6.486 -9.312 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.689 7.554 -10.866 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.464 7.004 -9.361 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -3.103 8.731 -9.596 1.00 0.42 H new ATOM 660 N ARG A 43 0.101 9.451 -9.146 1.00 0.49 N ATOM 661 CA ARG A 43 1.094 10.353 -9.720 1.00 0.61 C ATOM 662 C ARG A 43 2.496 9.764 -9.568 1.00 0.69 C ATOM 663 O ARG A 43 3.471 10.307 -10.089 1.00 0.81 O ATOM 664 CB ARG A 43 0.992 11.750 -9.081 1.00 0.60 C ATOM 665 CG ARG A 43 2.113 12.098 -8.109 1.00 0.85 C ATOM 666 CD ARG A 43 1.848 11.548 -6.720 1.00 0.68 C ATOM 667 NE ARG A 43 2.931 11.863 -5.791 1.00 1.29 N ATOM 668 CZ ARG A 43 2.739 12.203 -4.520 1.00 1.91 C ATOM 669 NH1 ARG A 43 1.510 12.263 -4.024 1.00 2.11 N ATOM 670 NH2 ARG A 43 3.777 12.480 -3.742 1.00 2.62 N ATOM 0 H ARG A 43 -0.201 9.692 -8.202 1.00 0.49 H new ATOM 0 HA ARG A 43 0.894 10.466 -10.785 1.00 0.61 H new ATOM 0 HB2 ARG A 43 0.976 12.496 -9.876 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.040 11.824 -8.555 1.00 0.60 H new ATOM 0 HG2 ARG A 43 3.056 11.699 -8.484 1.00 0.85 H new ATOM 0 HG3 ARG A 43 2.224 13.181 -8.056 1.00 0.85 H new ATOM 0 HD2 ARG A 43 0.913 11.959 -6.340 1.00 0.68 H new ATOM 0 HD3 ARG A 43 1.721 10.467 -6.776 1.00 0.68 H new ATOM 0 HE ARG A 43 3.889 11.820 -6.137 1.00 1.29 H new ATOM 0 HH11 ARG A 43 0.709 12.048 -4.618 1.00 2.11 H new ATOM 0 HH12 ARG A 43 1.366 12.524 -3.049 1.00 2.11 H new ATOM 0 HH21 ARG A 43 4.724 12.432 -4.119 1.00 2.62 H new ATOM 0 HH22 ARG A 43 3.628 12.741 -2.767 1.00 2.62 H new ATOM 684 N GLU A 44 2.578 8.640 -8.861 1.00 0.79 N ATOM 685 CA GLU A 44 3.855 7.973 -8.633 1.00 1.09 C ATOM 686 C GLU A 44 3.845 6.545 -9.176 1.00 1.38 C ATOM 687 O GLU A 44 4.512 6.247 -10.166 1.00 2.24 O ATOM 688 CB GLU A 44 4.209 7.973 -7.143 1.00 1.18 C ATOM 689 CG GLU A 44 2.998 7.975 -6.228 1.00 1.05 C ATOM 690 CD GLU A 44 3.365 7.797 -4.768 1.00 1.37 C ATOM 691 OE1 GLU A 44 3.542 6.638 -4.338 1.00 1.65 O ATOM 692 OE2 GLU A 44 3.474 8.816 -4.055 1.00 1.47 O ATOM 0 H GLU A 44 1.776 8.173 -8.437 1.00 0.79 H new ATOM 0 HA GLU A 44 4.618 8.533 -9.174 1.00 1.09 H new ATOM 0 HB2 GLU A 44 4.818 7.096 -6.923 1.00 1.18 H new ATOM 0 HB3 GLU A 44 4.820 8.848 -6.924 1.00 1.18 H new ATOM 0 HG2 GLU A 44 2.457 8.914 -6.350 1.00 1.05 H new ATOM 0 HG3 GLU A 44 2.320 7.176 -6.528 1.00 1.05 H new ATOM 699 N GLN A 45 3.073 5.675 -8.525 1.00 0.72 N ATOM 700 CA GLN A 45 2.971 4.272 -8.926 1.00 0.93 C ATOM 701 C GLN A 45 4.340 3.717 -9.325 1.00 0.74 C ATOM 702 O GLN A 45 4.595 3.468 -10.504 1.00 0.80 O ATOM 703 CB GLN A 45 1.981 4.111 -10.082 1.00 1.18 C ATOM 704 CG GLN A 45 0.526 4.245 -9.661 1.00 1.69 C ATOM 705 CD GLN A 45 -0.437 3.935 -10.789 1.00 1.85 C ATOM 706 OE1 GLN A 45 -1.605 4.569 -10.765 1.00 2.15 O flip ATOM 707 NE2 GLN A 45 -0.138 3.132 -11.674 1.00 2.52 N flip ATOM 0 H GLN A 45 2.506 5.919 -7.713 1.00 0.72 H new ATOM 0 HA GLN A 45 2.605 3.705 -8.070 1.00 0.93 H new ATOM 0 HB2 GLN A 45 2.200 4.859 -10.844 1.00 1.18 H new ATOM 0 HB3 GLN A 45 2.129 3.134 -10.542 1.00 1.18 H new ATOM 0 HG2 GLN A 45 0.330 3.573 -8.826 1.00 1.69 H new ATOM 0 HG3 GLN A 45 0.347 5.259 -9.303 1.00 1.69 H new ATOM 0 HE21 GLN A 45 0.770 2.667 -11.655 1.00 2.52 H new ATOM 0 HE22 GLN A 45 -0.798 2.932 -12.426 1.00 2.52 H new ATOM 716 N PRO A 46 5.242 3.532 -8.341 1.00 0.61 N ATOM 717 CA PRO A 46 6.592 3.011 -8.584 1.00 0.48 C ATOM 718 C PRO A 46 6.610 1.829 -9.549 1.00 0.45 C ATOM 719 O PRO A 46 5.777 0.928 -9.459 1.00 0.61 O ATOM 720 CB PRO A 46 7.040 2.571 -7.192 1.00 0.62 C ATOM 721 CG PRO A 46 6.338 3.500 -6.264 1.00 0.65 C ATOM 722 CD PRO A 46 5.016 3.821 -6.909 1.00 0.75 C ATOM 0 HA PRO A 46 7.238 3.754 -9.051 1.00 0.48 H new ATOM 0 HB2 PRO A 46 6.768 1.534 -6.997 1.00 0.62 H new ATOM 0 HB3 PRO A 46 8.122 2.643 -7.082 1.00 0.62 H new ATOM 0 HG2 PRO A 46 6.192 3.038 -5.288 1.00 0.65 H new ATOM 0 HG3 PRO A 46 6.923 4.406 -6.104 1.00 0.65 H new ATOM 0 HD2 PRO A 46 4.212 3.209 -6.500 1.00 0.75 H new ATOM 0 HD3 PRO A 46 4.736 4.862 -6.751 1.00 0.75 H new ATOM 730 N GLU A 47 7.567 1.843 -10.474 1.00 0.45 N ATOM 731 CA GLU A 47 7.700 0.775 -11.462 1.00 0.52 C ATOM 732 C GLU A 47 8.449 -0.417 -10.875 1.00 0.48 C ATOM 733 O GLU A 47 7.979 -1.554 -10.948 1.00 0.49 O ATOM 734 CB GLU A 47 8.430 1.293 -12.701 1.00 0.65 C ATOM 735 CG GLU A 47 8.692 0.222 -13.745 1.00 0.87 C ATOM 736 CD GLU A 47 9.486 0.744 -14.926 1.00 1.35 C ATOM 737 OE1 GLU A 47 10.733 0.696 -14.871 1.00 2.03 O ATOM 738 OE2 GLU A 47 8.862 1.203 -15.904 1.00 1.78 O ATOM 0 H GLU A 47 8.263 2.584 -10.560 1.00 0.45 H new ATOM 0 HA GLU A 47 6.701 0.447 -11.747 1.00 0.52 H new ATOM 0 HB2 GLU A 47 7.841 2.092 -13.152 1.00 0.65 H new ATOM 0 HB3 GLU A 47 9.380 1.731 -12.396 1.00 0.65 H new ATOM 0 HG2 GLU A 47 9.233 -0.605 -13.285 1.00 0.87 H new ATOM 0 HG3 GLU A 47 7.741 -0.177 -14.098 1.00 0.87 H new ATOM 745 N ASN A 48 9.621 -0.152 -10.303 1.00 0.51 N ATOM 746 CA ASN A 48 10.439 -1.196 -9.686 1.00 0.51 C ATOM 747 C ASN A 48 9.745 -1.796 -8.460 1.00 0.37 C ATOM 748 O ASN A 48 10.344 -2.570 -7.713 1.00 0.55 O ATOM 749 CB ASN A 48 11.805 -0.621 -9.299 1.00 0.64 C ATOM 750 CG ASN A 48 12.777 -1.682 -8.817 1.00 1.34 C ATOM 751 OD1 ASN A 48 12.846 -1.870 -7.503 1.00 2.17 O flip ATOM 752 ND2 ASN A 48 13.465 -2.320 -9.614 1.00 1.77 N flip ATOM 0 H ASN A 48 10.028 0.782 -10.253 1.00 0.51 H new ATOM 0 HA ASN A 48 10.578 -1.997 -10.412 1.00 0.51 H new ATOM 0 HB2 ASN A 48 12.234 -0.106 -10.159 1.00 0.64 H new ATOM 0 HB3 ASN A 48 11.671 0.125 -8.515 1.00 0.64 H new ATOM 0 HD21 ASN A 48 13.381 -2.144 -10.615 1.00 1.77 H new ATOM 0 HD22 ASN A 48 14.119 -3.024 -9.273 1.00 1.77 H new ATOM 759 N LEU A 49 8.471 -1.461 -8.279 1.00 0.29 N ATOM 760 CA LEU A 49 7.693 -1.956 -7.157 1.00 0.21 C ATOM 761 C LEU A 49 6.228 -2.067 -7.549 1.00 0.23 C ATOM 762 O LEU A 49 5.366 -2.328 -6.708 1.00 0.28 O ATOM 763 CB LEU A 49 7.834 -1.044 -5.930 1.00 0.34 C ATOM 764 CG LEU A 49 8.802 -1.519 -4.835 1.00 0.34 C ATOM 765 CD1 LEU A 49 8.780 -3.034 -4.686 1.00 0.65 C ATOM 766 CD2 LEU A 49 10.215 -1.021 -5.108 1.00 0.66 C ATOM 0 H LEU A 49 7.955 -0.842 -8.904 1.00 0.29 H new ATOM 0 HA LEU A 49 8.077 -2.941 -6.893 1.00 0.21 H new ATOM 0 HB2 LEU A 49 8.159 -0.061 -6.270 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.848 -0.917 -5.483 1.00 0.34 H new ATOM 0 HG LEU A 49 8.465 -1.092 -3.891 1.00 0.34 H new ATOM 0 HD11 LEU A 49 9.477 -3.333 -3.903 1.00 0.65 H new ATOM 0 HD12 LEU A 49 7.774 -3.359 -4.420 1.00 0.65 H new ATOM 0 HD13 LEU A 49 9.073 -3.497 -5.628 1.00 0.65 H new ATOM 0 HD21 LEU A 49 10.882 -1.370 -4.320 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.557 -1.405 -6.069 1.00 0.66 H new ATOM 0 HD23 LEU A 49 10.219 0.069 -5.131 1.00 0.66 H new ATOM 778 N ARG A 50 5.952 -1.872 -8.835 1.00 0.27 N ATOM 779 CA ARG A 50 4.593 -1.952 -9.337 1.00 0.33 C ATOM 780 C ARG A 50 4.047 -3.353 -9.116 1.00 0.33 C ATOM 781 O ARG A 50 2.836 -3.568 -9.123 1.00 0.43 O ATOM 782 CB ARG A 50 4.554 -1.595 -10.823 1.00 0.41 C ATOM 783 CG ARG A 50 3.149 -1.430 -11.374 1.00 1.10 C ATOM 784 CD ARG A 50 3.173 -0.906 -12.799 1.00 1.23 C ATOM 785 NE ARG A 50 3.721 -1.883 -13.735 1.00 1.88 N ATOM 786 CZ ARG A 50 4.063 -1.593 -14.988 1.00 2.37 C ATOM 787 NH1 ARG A 50 3.923 -0.359 -15.450 1.00 2.41 N ATOM 788 NH2 ARG A 50 4.550 -2.541 -15.779 1.00 3.19 N ATOM 0 H ARG A 50 6.653 -1.658 -9.544 1.00 0.27 H new ATOM 0 HA ARG A 50 3.971 -1.239 -8.796 1.00 0.33 H new ATOM 0 HB2 ARG A 50 5.107 -0.669 -10.980 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.067 -2.373 -11.388 1.00 0.41 H new ATOM 0 HG2 ARG A 50 2.630 -2.388 -11.345 1.00 1.10 H new ATOM 0 HG3 ARG A 50 2.586 -0.744 -10.741 1.00 1.10 H new ATOM 0 HD2 ARG A 50 2.161 -0.641 -13.104 1.00 1.23 H new ATOM 0 HD3 ARG A 50 3.768 0.007 -12.839 1.00 1.23 H new ATOM 0 HE ARG A 50 3.849 -2.842 -13.411 1.00 1.88 H new ATOM 0 HH11 ARG A 50 3.552 0.373 -14.845 1.00 2.41 H new ATOM 0 HH12 ARG A 50 4.186 -0.141 -16.411 1.00 2.41 H new ATOM 0 HH21 ARG A 50 4.662 -3.492 -15.426 1.00 3.19 H new ATOM 0 HH22 ARG A 50 4.812 -2.319 -16.739 1.00 3.19 H new ATOM 802 N THR A 51 4.959 -4.301 -8.913 1.00 0.27 N ATOM 803 CA THR A 51 4.585 -5.685 -8.672 1.00 0.28 C ATOM 804 C THR A 51 3.959 -5.829 -7.292 1.00 0.25 C ATOM 805 O THR A 51 2.889 -6.416 -7.145 1.00 0.30 O ATOM 806 CB THR A 51 5.802 -6.623 -8.778 1.00 0.29 C ATOM 807 OG1 THR A 51 6.450 -6.447 -10.043 1.00 0.35 O ATOM 808 CG2 THR A 51 5.381 -8.075 -8.621 1.00 0.36 C ATOM 0 H THR A 51 5.965 -4.131 -8.911 1.00 0.27 H new ATOM 0 HA THR A 51 3.861 -5.968 -9.436 1.00 0.28 H new ATOM 0 HB THR A 51 6.495 -6.371 -7.976 1.00 0.29 H new ATOM 0 HG1 THR A 51 7.223 -7.046 -10.101 1.00 0.35 H new ATOM 0 HG21 THR A 51 6.257 -8.718 -8.700 1.00 0.36 H new ATOM 0 HG22 THR A 51 4.914 -8.215 -7.646 1.00 0.36 H new ATOM 0 HG23 THR A 51 4.669 -8.334 -9.405 1.00 0.36 H new ATOM 816 N TYR A 52 4.638 -5.283 -6.283 1.00 0.20 N ATOM 817 CA TYR A 52 4.154 -5.326 -4.916 1.00 0.19 C ATOM 818 C TYR A 52 2.731 -4.779 -4.852 1.00 0.18 C ATOM 819 O TYR A 52 1.866 -5.342 -4.180 1.00 0.22 O ATOM 820 CB TYR A 52 5.096 -4.513 -4.017 1.00 0.21 C ATOM 821 CG TYR A 52 4.779 -4.610 -2.541 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.297 -5.790 -1.977 1.00 0.41 C ATOM 823 CD2 TYR A 52 4.954 -3.513 -1.709 1.00 0.27 C ATOM 824 CE1 TYR A 52 4.003 -5.864 -0.631 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.664 -3.582 -0.365 1.00 0.35 C ATOM 826 CZ TYR A 52 4.206 -4.816 0.172 1.00 0.46 C ATOM 827 OH TYR A 52 3.898 -4.831 1.514 1.00 0.56 O ATOM 0 H TYR A 52 5.531 -4.804 -6.395 1.00 0.20 H new ATOM 0 HA TYR A 52 4.138 -6.357 -4.563 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.119 -4.852 -4.181 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.055 -3.466 -4.318 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.152 -6.658 -2.602 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.325 -2.587 -2.124 1.00 0.27 H new ATOM 0 HE1 TYR A 52 3.604 -6.780 -0.222 1.00 0.50 H new ATOM 0 HE2 TYR A 52 4.782 -2.716 0.269 1.00 0.35 H new ATOM 0 HH TYR A 52 3.028 -4.403 1.655 1.00 0.56 H new ATOM 837 N PHE A 53 2.505 -3.674 -5.554 1.00 0.17 N ATOM 838 CA PHE A 53 1.187 -3.049 -5.613 1.00 0.18 C ATOM 839 C PHE A 53 0.132 -4.045 -6.089 1.00 0.16 C ATOM 840 O PHE A 53 -1.014 -3.996 -5.651 1.00 0.19 O ATOM 841 CB PHE A 53 1.245 -1.809 -6.521 1.00 0.20 C ATOM 842 CG PHE A 53 -0.007 -1.502 -7.304 1.00 0.24 C ATOM 843 CD1 PHE A 53 -0.310 -2.198 -8.466 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.865 -0.495 -6.891 1.00 0.29 C ATOM 845 CE1 PHE A 53 -1.449 -1.902 -9.192 1.00 0.37 C ATOM 846 CE2 PHE A 53 -2.002 -0.191 -7.616 1.00 0.36 C ATOM 847 CZ PHE A 53 -2.296 -0.896 -8.767 1.00 0.37 C ATOM 0 H PHE A 53 3.222 -3.189 -6.094 1.00 0.17 H new ATOM 0 HA PHE A 53 0.897 -2.730 -4.612 1.00 0.18 H new ATOM 0 HB2 PHE A 53 1.485 -0.943 -5.904 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.067 -1.937 -7.225 1.00 0.20 H new ATOM 0 HD1 PHE A 53 0.352 -2.980 -8.807 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.642 0.059 -5.991 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -1.677 -2.456 -10.090 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -2.660 0.598 -7.283 1.00 0.36 H new ATOM 0 HZ PHE A 53 -3.185 -0.662 -9.333 1.00 0.37 H new ATOM 857 N MET A 54 0.523 -4.949 -6.984 1.00 0.18 N ATOM 858 CA MET A 54 -0.401 -5.957 -7.496 1.00 0.22 C ATOM 859 C MET A 54 -0.634 -7.031 -6.446 1.00 0.25 C ATOM 860 O MET A 54 -1.753 -7.497 -6.254 1.00 0.27 O ATOM 861 CB MET A 54 0.143 -6.596 -8.774 1.00 0.27 C ATOM 862 CG MET A 54 0.691 -5.592 -9.769 1.00 1.07 C ATOM 863 SD MET A 54 0.740 -6.230 -11.455 1.00 1.58 S ATOM 864 CE MET A 54 1.927 -7.562 -11.284 1.00 1.82 C ATOM 0 H MET A 54 1.467 -5.004 -7.367 1.00 0.18 H new ATOM 0 HA MET A 54 -1.346 -5.466 -7.729 1.00 0.22 H new ATOM 0 HB2 MET A 54 0.931 -7.301 -8.511 1.00 0.27 H new ATOM 0 HB3 MET A 54 -0.652 -7.170 -9.250 1.00 0.27 H new ATOM 0 HG2 MET A 54 0.077 -4.692 -9.744 1.00 1.07 H new ATOM 0 HG3 MET A 54 1.697 -5.301 -9.467 1.00 1.07 H new ATOM 0 HE1 MET A 54 2.705 -7.456 -12.040 1.00 1.82 H new ATOM 0 HE2 MET A 54 2.377 -7.523 -10.292 1.00 1.82 H new ATOM 0 HE3 MET A 54 1.422 -8.519 -11.415 1.00 1.82 H new ATOM 874 N GLU A 55 0.443 -7.423 -5.777 1.00 0.26 N ATOM 875 CA GLU A 55 0.373 -8.434 -4.733 1.00 0.31 C ATOM 876 C GLU A 55 -0.641 -8.017 -3.680 1.00 0.30 C ATOM 877 O GLU A 55 -1.531 -8.783 -3.314 1.00 0.37 O ATOM 878 CB GLU A 55 1.747 -8.624 -4.094 1.00 0.33 C ATOM 879 CG GLU A 55 2.874 -8.745 -5.106 1.00 0.41 C ATOM 880 CD GLU A 55 4.135 -9.338 -4.511 1.00 1.06 C ATOM 881 OE1 GLU A 55 4.279 -10.578 -4.538 1.00 0.92 O ATOM 882 OE2 GLU A 55 4.980 -8.561 -4.016 1.00 1.84 O ATOM 0 H GLU A 55 1.379 -7.053 -5.941 1.00 0.26 H new ATOM 0 HA GLU A 55 0.059 -9.380 -5.174 1.00 0.31 H new ATOM 0 HB2 GLU A 55 1.951 -7.782 -3.433 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.729 -9.519 -3.473 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.544 -9.366 -5.939 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.098 -7.759 -5.513 1.00 0.41 H new ATOM 889 N ARG A 56 -0.485 -6.796 -3.189 1.00 0.29 N ATOM 890 CA ARG A 56 -1.400 -6.260 -2.198 1.00 0.32 C ATOM 891 C ARG A 56 -2.763 -6.022 -2.834 1.00 0.28 C ATOM 892 O ARG A 56 -3.792 -6.159 -2.181 1.00 0.29 O ATOM 893 CB ARG A 56 -0.850 -4.962 -1.605 1.00 0.40 C ATOM 894 CG ARG A 56 -1.111 -4.820 -0.115 1.00 0.74 C ATOM 895 CD ARG A 56 -0.393 -5.899 0.681 1.00 0.84 C ATOM 896 NE ARG A 56 -0.580 -5.737 2.120 1.00 1.54 N ATOM 897 CZ ARG A 56 0.189 -6.324 3.034 1.00 1.82 C ATOM 898 NH1 ARG A 56 1.200 -7.097 2.659 1.00 1.80 N ATOM 899 NH2 ARG A 56 -0.050 -6.134 4.324 1.00 2.57 N ATOM 0 H ARG A 56 0.265 -6.161 -3.461 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.508 -6.982 -1.389 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.224 -4.916 -1.784 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -1.296 -4.115 -2.127 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -0.781 -3.837 0.221 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -2.183 -4.878 0.075 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.761 -6.879 0.376 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.672 -5.872 0.449 1.00 0.84 H new ATOM 0 HE ARG A 56 -1.342 -5.141 2.443 1.00 1.54 H new ATOM 0 HH11 ARG A 56 1.390 -7.243 1.668 1.00 1.80 H new ATOM 0 HH12 ARG A 56 1.787 -7.545 3.362 1.00 1.80 H new ATOM 0 HH21 ARG A 56 -0.824 -5.538 4.617 1.00 2.57 H new ATOM 0 HH22 ARG A 56 0.540 -6.584 5.024 1.00 2.57 H new ATOM 913 N LEU A 57 -2.755 -5.659 -4.116 1.00 0.29 N ATOM 914 CA LEU A 57 -3.990 -5.416 -4.858 1.00 0.34 C ATOM 915 C LEU A 57 -4.895 -6.644 -4.829 1.00 0.32 C ATOM 916 O LEU A 57 -6.043 -6.567 -4.391 1.00 0.40 O ATOM 917 CB LEU A 57 -3.675 -5.026 -6.307 1.00 0.45 C ATOM 918 CG LEU A 57 -4.873 -5.005 -7.261 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.940 -4.041 -6.767 1.00 1.09 C ATOM 920 CD2 LEU A 57 -4.424 -4.630 -8.667 1.00 1.03 C ATOM 0 H LEU A 57 -1.904 -5.527 -4.663 1.00 0.29 H new ATOM 0 HA LEU A 57 -4.516 -4.592 -4.377 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -3.216 -4.037 -6.307 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.933 -5.722 -6.699 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.306 -6.005 -7.289 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.781 -4.043 -7.460 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -6.283 -4.352 -5.780 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -5.522 -3.036 -6.706 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -5.286 -4.619 -9.334 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.965 -3.641 -8.651 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.698 -5.361 -9.024 1.00 1.03 H new ATOM 932 N ARG A 58 -4.377 -7.778 -5.302 1.00 0.33 N ATOM 933 CA ARG A 58 -5.148 -9.014 -5.316 1.00 0.40 C ATOM 934 C ARG A 58 -5.568 -9.373 -3.898 1.00 0.39 C ATOM 935 O ARG A 58 -6.666 -9.882 -3.672 1.00 0.47 O ATOM 936 CB ARG A 58 -4.336 -10.153 -5.941 1.00 0.49 C ATOM 937 CG ARG A 58 -3.174 -10.628 -5.085 1.00 0.55 C ATOM 938 CD ARG A 58 -2.358 -11.695 -5.796 1.00 0.67 C ATOM 939 NE ARG A 58 -1.622 -11.155 -6.935 1.00 1.20 N ATOM 940 CZ ARG A 58 -0.729 -11.851 -7.633 1.00 1.40 C ATOM 941 NH1 ARG A 58 -0.451 -13.106 -7.302 1.00 0.89 N ATOM 942 NH2 ARG A 58 -0.109 -11.292 -8.664 1.00 2.29 N ATOM 0 H ARG A 58 -3.432 -7.863 -5.678 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.040 -8.865 -5.924 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -5.000 -10.996 -6.133 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -3.952 -9.824 -6.906 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.533 -9.782 -4.839 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -3.553 -11.025 -4.143 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -1.657 -12.144 -5.092 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -3.021 -12.490 -6.137 1.00 0.67 H new ATOM 0 HE ARG A 58 -1.803 -10.190 -7.211 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -0.923 -13.541 -6.509 1.00 0.89 H new ATOM 0 HH12 ARG A 58 0.235 -13.636 -7.840 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -0.317 -10.327 -8.922 1.00 2.29 H new ATOM 0 HH22 ARG A 58 0.576 -11.827 -9.198 1.00 2.29 H new ATOM 956 N HIS A 59 -4.680 -9.101 -2.948 1.00 0.38 N ATOM 957 CA HIS A 59 -4.965 -9.368 -1.544 1.00 0.50 C ATOM 958 C HIS A 59 -6.147 -8.527 -1.079 1.00 0.44 C ATOM 959 O HIS A 59 -7.046 -9.025 -0.403 1.00 0.46 O ATOM 960 CB HIS A 59 -3.737 -9.069 -0.679 1.00 0.68 C ATOM 961 CG HIS A 59 -2.859 -10.261 -0.455 1.00 1.36 C ATOM 962 ND1 HIS A 59 -2.260 -10.534 0.757 1.00 1.75 N ATOM 963 CD2 HIS A 59 -2.479 -11.256 -1.292 1.00 2.34 C ATOM 964 CE1 HIS A 59 -1.549 -11.643 0.656 1.00 2.36 C ATOM 965 NE2 HIS A 59 -1.665 -12.101 -0.576 1.00 2.78 N ATOM 0 H HIS A 59 -3.760 -8.697 -3.124 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.216 -10.423 -1.438 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -3.152 -8.281 -1.153 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -4.067 -8.685 0.286 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -2.763 -11.365 -2.328 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -0.971 -12.097 1.447 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -1.222 -12.945 -0.938 1.00 2.78 H new ATOM 974 N TYR A 60 -6.140 -7.251 -1.452 1.00 0.49 N ATOM 975 CA TYR A 60 -7.216 -6.343 -1.087 1.00 0.63 C ATOM 976 C TYR A 60 -8.523 -6.801 -1.713 1.00 0.51 C ATOM 977 O TYR A 60 -9.595 -6.597 -1.150 1.00 0.55 O ATOM 978 CB TYR A 60 -6.897 -4.914 -1.538 1.00 0.94 C ATOM 979 CG TYR A 60 -5.888 -4.198 -0.662 1.00 0.47 C ATOM 980 CD1 TYR A 60 -6.028 -4.179 0.721 1.00 1.22 C ATOM 981 CD2 TYR A 60 -4.802 -3.535 -1.219 1.00 0.97 C ATOM 982 CE1 TYR A 60 -5.114 -3.521 1.522 1.00 2.23 C ATOM 983 CE2 TYR A 60 -3.885 -2.876 -0.425 1.00 1.87 C ATOM 984 CZ TYR A 60 -4.045 -2.872 0.945 1.00 2.50 C ATOM 985 OH TYR A 60 -3.133 -2.215 1.739 1.00 3.56 O ATOM 0 H TYR A 60 -5.399 -6.824 -2.008 1.00 0.49 H new ATOM 0 HA TYR A 60 -7.316 -6.351 -0.002 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -6.519 -4.943 -2.560 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -7.821 -4.336 -1.556 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -6.865 -4.687 1.177 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.673 -3.535 -2.291 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -5.237 -3.516 2.595 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -3.046 -2.366 -0.875 1.00 1.87 H new ATOM 0 HH TYR A 60 -2.241 -2.286 1.340 1.00 3.56 H new ATOM 995 N ARG A 61 -8.422 -7.421 -2.886 1.00 0.49 N ATOM 996 CA ARG A 61 -9.595 -7.922 -3.587 1.00 0.60 C ATOM 997 C ARG A 61 -10.299 -8.973 -2.738 1.00 0.51 C ATOM 998 O ARG A 61 -11.528 -9.049 -2.712 1.00 0.58 O ATOM 999 CB ARG A 61 -9.195 -8.520 -4.937 1.00 0.74 C ATOM 1000 CG ARG A 61 -10.379 -8.897 -5.810 1.00 1.16 C ATOM 1001 CD ARG A 61 -9.925 -9.519 -7.121 1.00 1.30 C ATOM 1002 NE ARG A 61 -9.263 -10.803 -6.919 1.00 2.29 N ATOM 1003 CZ ARG A 61 -8.934 -11.626 -7.909 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.219 -11.306 -9.165 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -8.324 -12.773 -7.644 1.00 3.83 N ATOM 0 H ARG A 61 -7.539 -7.587 -3.369 1.00 0.49 H new ATOM 0 HA ARG A 61 -10.278 -7.091 -3.763 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -8.573 -7.803 -5.473 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -8.584 -9.406 -4.766 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -11.019 -9.599 -5.275 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -10.979 -8.010 -6.015 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -10.786 -9.655 -7.775 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -9.244 -8.836 -7.629 1.00 1.30 H new ATOM 0 HE ARG A 61 -9.040 -11.085 -5.964 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -9.692 -10.426 -9.372 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -8.965 -11.940 -9.923 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -8.107 -13.024 -6.680 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -8.072 -13.404 -8.405 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.504 -9.782 -2.045 1.00 0.42 N ATOM 1020 CA GLN A 62 -10.035 -10.828 -1.182 1.00 0.44 C ATOM 1021 C GLN A 62 -10.787 -10.215 -0.006 1.00 0.34 C ATOM 1022 O GLN A 62 -11.935 -10.583 0.285 1.00 0.41 O ATOM 1023 CB GLN A 62 -8.899 -11.713 -0.670 1.00 0.49 C ATOM 1024 CG GLN A 62 -8.058 -12.328 -1.776 1.00 0.65 C ATOM 1025 CD GLN A 62 -6.823 -13.031 -1.247 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -6.825 -13.565 -0.136 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -5.755 -13.030 -2.038 1.00 1.32 N ATOM 0 H GLN A 62 -8.485 -9.732 -2.066 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.728 -11.438 -1.761 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.253 -11.121 -0.021 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.320 -12.511 -0.059 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -8.665 -13.040 -2.336 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.756 -11.548 -2.475 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -5.797 -12.576 -2.950 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -4.894 -13.483 -1.733 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.152 -9.256 0.659 1.00 0.31 N ATOM 1037 CA LEU A 63 -10.773 -8.615 1.788 1.00 0.40 C ATOM 1038 C LEU A 63 -12.020 -7.914 1.315 1.00 0.49 C ATOM 1039 O LEU A 63 -13.037 -7.950 1.978 1.00 0.75 O ATOM 1040 CB LEU A 63 -9.823 -7.624 2.463 1.00 0.62 C ATOM 1041 CG LEU A 63 -8.722 -8.240 3.335 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -9.325 -9.054 4.470 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -7.784 -9.100 2.501 1.00 1.57 C ATOM 0 H LEU A 63 -9.218 -8.916 0.431 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.027 -9.370 2.532 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -9.351 -7.018 1.689 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -10.413 -6.948 3.081 1.00 0.62 H new ATOM 0 HG LEU A 63 -8.141 -7.425 3.767 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -8.526 -9.482 5.076 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -9.945 -8.408 5.091 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -9.937 -9.856 4.057 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -7.013 -9.525 3.143 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -8.349 -9.905 2.031 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -7.317 -8.487 1.730 1.00 1.57 H new ATOM 1055 N SER A 64 -11.936 -7.311 0.137 1.00 0.43 N ATOM 1056 CA SER A 64 -13.069 -6.606 -0.440 1.00 0.60 C ATOM 1057 C SER A 64 -14.301 -7.502 -0.472 1.00 0.76 C ATOM 1058 O SER A 64 -15.424 -7.027 -0.305 1.00 0.99 O ATOM 1059 CB SER A 64 -12.734 -6.123 -1.852 1.00 0.65 C ATOM 1060 OG SER A 64 -11.688 -5.169 -1.829 1.00 1.62 O ATOM 0 H SER A 64 -11.093 -7.297 -0.437 1.00 0.43 H new ATOM 0 HA SER A 64 -13.286 -5.740 0.186 1.00 0.60 H new ATOM 0 HB2 SER A 64 -12.443 -6.972 -2.471 1.00 0.65 H new ATOM 0 HB3 SER A 64 -13.621 -5.684 -2.310 1.00 0.65 H new ATOM 0 HG SER A 64 -10.834 -5.624 -1.674 1.00 1.62 H new ATOM 1066 N LEU A 65 -14.090 -8.802 -0.685 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.191 -9.756 -0.747 1.00 0.88 C ATOM 1068 C LEU A 65 -15.378 -10.511 0.572 1.00 0.97 C ATOM 1069 O LEU A 65 -16.184 -11.440 0.646 1.00 1.35 O ATOM 1070 CB LEU A 65 -14.941 -10.758 -1.870 1.00 0.91 C ATOM 1071 CG LEU A 65 -14.712 -10.147 -3.256 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -14.449 -11.238 -4.282 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -15.905 -9.299 -3.674 1.00 1.80 C ATOM 0 H LEU A 65 -13.167 -9.215 -0.817 1.00 0.70 H new ATOM 0 HA LEU A 65 -16.102 -9.189 -0.939 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -14.071 -11.361 -1.609 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -15.793 -11.435 -1.926 1.00 0.91 H new ATOM 0 HG LEU A 65 -13.835 -9.502 -3.205 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -14.289 -10.786 -5.261 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -13.563 -11.803 -3.993 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -15.307 -11.908 -4.328 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -15.722 -8.874 -4.661 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -16.800 -9.921 -3.707 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -16.049 -8.494 -2.954 1.00 1.80 H new ATOM 1085 N GLN A 66 -14.640 -10.120 1.608 1.00 0.75 N ATOM 1086 CA GLN A 66 -14.758 -10.759 2.915 1.00 0.88 C ATOM 1087 C GLN A 66 -15.221 -9.750 3.973 1.00 0.97 C ATOM 1088 O GLN A 66 -16.172 -9.998 4.715 1.00 1.15 O ATOM 1089 CB GLN A 66 -13.418 -11.403 3.328 1.00 0.83 C ATOM 1090 CG GLN A 66 -12.502 -10.529 4.194 1.00 0.81 C ATOM 1091 CD GLN A 66 -13.051 -10.284 5.595 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -12.862 -9.061 6.098 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -13.654 -11.167 6.202 1.00 1.04 N flip ATOM 0 H GLN A 66 -13.955 -9.365 1.568 1.00 0.75 H new ATOM 0 HA GLN A 66 -15.509 -11.546 2.843 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -13.630 -12.324 3.870 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -12.876 -11.682 2.425 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -11.525 -11.005 4.272 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -12.351 -9.570 3.698 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -13.774 -12.087 5.778 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.034 -10.980 7.130 1.00 1.04 H new ATOM 1102 N LEU A 67 -14.530 -8.613 4.024 1.00 0.88 N ATOM 1103 CA LEU A 67 -14.803 -7.552 4.988 1.00 1.03 C ATOM 1104 C LEU A 67 -16.234 -6.984 4.855 1.00 1.14 C ATOM 1105 O LEU A 67 -17.057 -7.579 4.158 1.00 1.17 O ATOM 1106 CB LEU A 67 -13.675 -6.513 4.869 1.00 0.95 C ATOM 1107 CG LEU A 67 -13.748 -5.527 3.706 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -12.354 -5.289 3.156 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -14.683 -6.021 2.616 1.00 1.86 C ATOM 0 H LEU A 67 -13.758 -8.402 3.391 1.00 0.88 H new ATOM 0 HA LEU A 67 -14.796 -7.942 6.006 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -13.646 -5.940 5.795 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -12.729 -7.050 4.797 1.00 0.95 H new ATOM 0 HG LEU A 67 -14.154 -4.585 4.074 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -12.406 -4.585 2.325 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -11.718 -4.878 3.941 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -11.935 -6.232 2.806 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -14.711 -5.295 1.804 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -14.325 -6.977 2.235 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -15.685 -6.146 3.026 1.00 1.86 H new ATOM 1121 N PRO A 68 -16.575 -5.835 5.500 1.00 1.32 N ATOM 1122 CA PRO A 68 -17.948 -5.302 5.460 1.00 1.51 C ATOM 1123 C PRO A 68 -18.397 -4.776 4.094 1.00 1.30 C ATOM 1124 O PRO A 68 -18.727 -5.564 3.208 1.00 1.48 O ATOM 1125 CB PRO A 68 -17.875 -4.189 6.499 1.00 1.82 C ATOM 1126 CG PRO A 68 -16.502 -3.680 6.331 1.00 1.71 C ATOM 1127 CD PRO A 68 -15.696 -4.932 6.293 1.00 1.46 C ATOM 0 HA PRO A 68 -18.692 -6.073 5.659 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -18.620 -3.414 6.316 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -18.047 -4.564 7.508 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -16.394 -3.100 5.415 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -16.206 -3.032 7.156 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -14.728 -4.781 5.816 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -15.501 -5.324 7.291 1.00 1.46 H new ATOM 1135 N LYS A 69 -18.413 -3.448 3.936 1.00 1.27 N ATOM 1136 CA LYS A 69 -18.858 -2.805 2.694 1.00 1.31 C ATOM 1137 C LYS A 69 -20.104 -3.491 2.138 1.00 1.57 C ATOM 1138 O LYS A 69 -20.881 -4.091 2.883 1.00 2.36 O ATOM 1139 CB LYS A 69 -17.743 -2.814 1.645 1.00 2.04 C ATOM 1140 CG LYS A 69 -17.446 -4.190 1.078 1.00 2.94 C ATOM 1141 CD LYS A 69 -16.842 -4.109 -0.315 1.00 3.72 C ATOM 1142 CE LYS A 69 -17.895 -3.759 -1.354 1.00 4.17 C ATOM 1143 NZ LYS A 69 -17.336 -3.761 -2.735 1.00 4.86 N ATOM 0 H LYS A 69 -18.120 -2.792 4.660 1.00 1.27 H new ATOM 0 HA LYS A 69 -19.108 -1.770 2.929 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -18.020 -2.147 0.829 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -16.834 -2.411 2.091 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -16.760 -4.716 1.742 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -18.365 -4.774 1.042 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -16.052 -3.358 -0.328 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -16.380 -5.063 -0.569 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -18.716 -4.474 -1.294 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -18.311 -2.776 -1.132 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -18.113 -3.823 -3.424 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -16.801 -2.883 -2.894 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -16.703 -4.578 -2.852 1.00 4.86 H new