USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -1.57 K(o=-1.2,f=-5.1!) USER MOD Set 1.2: A 58 THR OG1 : rot 71:sc= 0.545 USER MOD Set 1.3: A 68 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -93:sc= 0.186 USER MOD Single : A 10 THR OG1 : rot 117:sc= -0.512 USER MOD Single : A 11 THR OG1 : rot -41:sc= -1.13 USER MOD Single : A 12 SER OG : rot -133:sc= 1.19 USER MOD Single : A 16 TYR OH : rot 30:sc= -0.371 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.15) USER MOD Single : A 22 THR OG1 : rot -74:sc= 0.948 USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.281 USER MOD Single : A 27 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0099) USER MOD Single : A 31 TYR OH : rot 150:sc= -0.264 USER MOD Single : A 38 HIS : no HE2:sc= 1.16 K(o=1.2,f=-5.7!) USER MOD Single : A 39 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.77) USER MOD Single : A 48 SER OG : rot 58:sc= 0.654 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0255) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0129 X(o=-0.013,f=0.048) USER MOD Single : A 71 SER OG : rot 80:sc= 0.904 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc=-0.00226 (180deg=-0.0791) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.16) USER MOD Single : A 81 LYS NZ :NH3+ 140:sc= -1.43 (180deg=-3.74!) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.162 4.365 5.649 1.00 0.00 N ATOM 61 CA ALA A 5 5.944 5.202 4.471 1.00 0.00 C ATOM 62 C ALA A 5 4.867 4.597 3.563 1.00 0.00 C ATOM 63 O ALA A 5 4.571 5.121 2.498 1.00 0.00 O ATOM 64 CB ALA A 5 7.247 5.379 3.704 1.00 0.00 C ATOM 0 HA ALA A 5 5.596 6.180 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.072 6.004 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.986 5.855 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.617 4.404 3.386 1.00 0.00 H new ATOM 70 N LEU A 6 4.323 3.477 3.990 1.00 0.00 N ATOM 71 CA LEU A 6 3.273 2.801 3.272 1.00 0.00 C ATOM 72 C LEU A 6 1.949 3.139 3.861 1.00 0.00 C ATOM 73 O LEU A 6 1.601 2.663 4.938 1.00 0.00 O ATOM 74 CB LEU A 6 3.421 1.275 3.305 1.00 0.00 C ATOM 75 CG LEU A 6 4.411 0.625 2.357 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.829 1.075 2.626 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.300 -0.874 2.470 1.00 0.00 C ATOM 0 H LEU A 6 4.602 3.010 4.853 1.00 0.00 H new ATOM 0 HA LEU A 6 3.346 3.138 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.698 0.990 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.440 0.842 3.109 1.00 0.00 H new ATOM 0 HG LEU A 6 4.166 0.935 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.505 0.586 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.898 2.156 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.108 0.809 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.010 -1.344 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.521 -1.179 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.288 -1.185 2.209 1.00 0.00 H new ATOM 89 N THR A 7 1.227 3.962 3.197 1.00 0.00 N ATOM 90 CA THR A 7 -0.098 4.247 3.601 1.00 0.00 C ATOM 91 C THR A 7 -0.985 3.453 2.658 1.00 0.00 C ATOM 92 O THR A 7 -1.071 3.764 1.471 1.00 0.00 O ATOM 93 CB THR A 7 -0.353 5.752 3.464 1.00 0.00 C ATOM 94 OG1 THR A 7 0.771 6.442 4.044 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.622 6.161 4.198 1.00 0.00 C ATOM 0 H THR A 7 1.536 4.456 2.360 1.00 0.00 H new ATOM 0 HA THR A 7 -0.292 3.978 4.639 1.00 0.00 H new ATOM 0 HB THR A 7 -0.475 6.005 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.635 7.410 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.778 7.234 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.473 5.624 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.524 5.919 5.256 1.00 0.00 H new ATOM 103 N ILE A 8 -1.581 2.405 3.155 1.00 0.00 N ATOM 104 CA ILE A 8 -2.314 1.514 2.315 1.00 0.00 C ATOM 105 C ILE A 8 -3.795 1.665 2.510 1.00 0.00 C ATOM 106 O ILE A 8 -4.299 1.680 3.627 1.00 0.00 O ATOM 107 CB ILE A 8 -1.896 0.025 2.506 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.395 -0.142 2.255 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.688 -0.875 1.563 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.085 -1.578 2.279 1.00 0.00 C ATOM 0 H ILE A 8 -1.570 2.151 4.143 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.065 1.795 1.292 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.115 -0.266 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.150 0.295 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.153 0.424 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.384 -1.912 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.753 -0.776 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.494 -0.582 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.159 -1.606 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.125 -2.016 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.432 -2.147 1.507 1.00 0.00 H new ATOM 122 N TYR A 9 -4.464 1.810 1.433 1.00 0.00 N ATOM 123 CA TYR A 9 -5.867 1.898 1.412 1.00 0.00 C ATOM 124 C TYR A 9 -6.428 0.517 1.166 1.00 0.00 C ATOM 125 O TYR A 9 -6.257 -0.035 0.091 1.00 0.00 O ATOM 126 CB TYR A 9 -6.284 2.913 0.342 1.00 0.00 C ATOM 127 CG TYR A 9 -5.857 4.328 0.684 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.651 5.125 1.489 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.655 4.858 0.221 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.271 6.401 1.833 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.268 6.143 0.559 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.082 6.906 1.371 1.00 0.00 C ATOM 133 OH TYR A 9 -4.705 8.182 1.728 1.00 0.00 O ATOM 0 H TYR A 9 -4.034 1.873 0.510 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.265 2.251 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.848 2.627 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.367 2.883 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.590 4.737 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.016 4.258 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.907 7.004 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.336 6.545 0.190 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.002 8.815 1.041 1.00 0.00 H new ATOM 143 N THR A 10 -6.986 -0.073 2.202 1.00 0.00 N ATOM 144 CA THR A 10 -7.576 -1.387 2.130 1.00 0.00 C ATOM 145 C THR A 10 -8.858 -1.448 2.941 1.00 0.00 C ATOM 146 O THR A 10 -8.956 -0.842 4.020 1.00 0.00 O ATOM 147 CB THR A 10 -6.597 -2.450 2.685 1.00 0.00 C ATOM 148 OG1 THR A 10 -5.895 -1.926 3.827 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.609 -2.909 1.638 1.00 0.00 C ATOM 0 H THR A 10 -7.042 0.354 3.127 1.00 0.00 H new ATOM 0 HA THR A 10 -7.795 -1.592 1.082 1.00 0.00 H new ATOM 0 HB THR A 10 -7.187 -3.316 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.117 -2.457 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.941 -3.654 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.147 -3.347 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.025 -2.057 1.290 1.00 0.00 H new ATOM 157 N THR A 11 -9.826 -2.160 2.434 1.00 0.00 N ATOM 158 CA THR A 11 -11.047 -2.381 3.144 1.00 0.00 C ATOM 159 C THR A 11 -10.820 -3.569 4.079 1.00 0.00 C ATOM 160 O THR A 11 -9.935 -4.411 3.809 1.00 0.00 O ATOM 161 CB THR A 11 -12.174 -2.731 2.149 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.077 -1.870 1.012 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.537 -2.506 2.781 1.00 0.00 C ATOM 0 H THR A 11 -9.787 -2.602 1.516 1.00 0.00 H new ATOM 0 HA THR A 11 -11.333 -1.489 3.701 1.00 0.00 H new ATOM 0 HB THR A 11 -12.068 -3.778 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.866 -0.960 1.308 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.317 -2.759 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.638 -3.138 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.635 -1.460 3.071 1.00 0.00 H new ATOM 171 N SER A 12 -11.570 -3.640 5.163 1.00 0.00 N ATOM 172 CA SER A 12 -11.483 -4.746 6.074 1.00 0.00 C ATOM 173 C SER A 12 -11.872 -6.030 5.349 1.00 0.00 C ATOM 174 O SER A 12 -11.107 -7.001 5.326 1.00 0.00 O ATOM 175 CB SER A 12 -12.384 -4.467 7.269 1.00 0.00 C ATOM 176 OG SER A 12 -13.632 -3.950 6.830 1.00 0.00 O ATOM 0 H SER A 12 -12.252 -2.930 5.429 1.00 0.00 H new ATOM 0 HA SER A 12 -10.464 -4.872 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.541 -5.384 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.902 -3.755 7.939 1.00 0.00 H new ATOM 0 HG SER A 12 -13.871 -3.168 7.371 1.00 0.00 H new ATOM 182 N TRP A 13 -13.026 -6.001 4.706 1.00 0.00 N ATOM 183 CA TRP A 13 -13.481 -7.115 3.928 1.00 0.00 C ATOM 184 C TRP A 13 -12.859 -7.091 2.514 1.00 0.00 C ATOM 185 O TRP A 13 -13.311 -6.380 1.616 1.00 0.00 O ATOM 186 CB TRP A 13 -15.034 -7.227 3.928 1.00 0.00 C ATOM 187 CG TRP A 13 -15.784 -6.089 3.303 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.171 -6.011 2.007 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.261 -4.896 3.935 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.808 -4.846 1.776 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.898 -4.138 2.939 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.210 -4.396 5.234 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.472 -2.898 3.199 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -16.783 -3.166 5.496 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.409 -2.431 4.484 1.00 0.00 C ATOM 0 H TRP A 13 -13.663 -5.205 4.715 1.00 0.00 H new ATOM 0 HA TRP A 13 -13.129 -8.031 4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -15.310 -8.145 3.409 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.369 -7.331 4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.994 -6.775 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.167 -4.541 0.872 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.732 -4.959 6.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.949 -2.326 2.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -16.747 -2.766 6.498 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.852 -1.475 4.721 1.00 0.00 H new ATOM 206 N CYS A 14 -11.748 -7.771 2.369 1.00 0.00 N ATOM 207 CA CYS A 14 -11.084 -7.871 1.090 1.00 0.00 C ATOM 208 C CYS A 14 -10.082 -9.013 1.127 1.00 0.00 C ATOM 209 O CYS A 14 -9.103 -8.960 1.879 1.00 0.00 O ATOM 210 CB CYS A 14 -10.379 -6.541 0.749 1.00 0.00 C ATOM 211 SG CYS A 14 -9.557 -6.499 -0.878 1.00 0.00 S ATOM 0 H CYS A 14 -11.280 -8.268 3.127 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.823 -8.073 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.114 -5.737 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.637 -6.333 1.520 1.00 0.00 H new ATOM 216 N GLY A 15 -10.296 -10.017 0.299 1.00 0.00 N ATOM 217 CA GLY A 15 -9.409 -11.159 0.273 1.00 0.00 C ATOM 218 C GLY A 15 -8.201 -10.892 -0.589 1.00 0.00 C ATOM 219 O GLY A 15 -7.087 -11.302 -0.263 1.00 0.00 O ATOM 0 H GLY A 15 -11.073 -10.064 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.089 -11.398 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.944 -12.030 -0.106 1.00 0.00 H new ATOM 223 N TYR A 16 -8.418 -10.164 -1.668 1.00 0.00 N ATOM 224 CA TYR A 16 -7.360 -9.798 -2.599 1.00 0.00 C ATOM 225 C TYR A 16 -6.324 -8.923 -1.885 1.00 0.00 C ATOM 226 O TYR A 16 -5.113 -9.072 -2.076 1.00 0.00 O ATOM 227 CB TYR A 16 -7.974 -9.067 -3.809 1.00 0.00 C ATOM 228 CG TYR A 16 -6.994 -8.710 -4.913 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.558 -9.668 -5.812 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.524 -7.414 -5.064 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.682 -9.349 -6.828 1.00 0.00 C ATOM 232 CE2 TYR A 16 -5.645 -7.087 -6.076 1.00 0.00 C ATOM 233 CZ TYR A 16 -5.226 -8.058 -6.955 1.00 0.00 C ATOM 234 OH TYR A 16 -4.349 -7.734 -7.971 1.00 0.00 O ATOM 0 H TYR A 16 -9.337 -9.806 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.854 -10.693 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.760 -9.693 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.450 -8.152 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.911 -10.684 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.852 -6.647 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.355 -10.110 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.288 -6.073 -6.177 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.511 -8.318 -8.741 1.00 0.00 H new ATOM 244 N CYS A 17 -6.821 -8.042 -1.036 1.00 0.00 N ATOM 245 CA CYS A 17 -5.994 -7.159 -0.232 1.00 0.00 C ATOM 246 C CYS A 17 -5.218 -7.965 0.812 1.00 0.00 C ATOM 247 O CYS A 17 -4.036 -7.713 1.060 1.00 0.00 O ATOM 248 CB CYS A 17 -6.881 -6.152 0.489 1.00 0.00 C ATOM 249 SG CYS A 17 -7.998 -5.231 -0.609 1.00 0.00 S ATOM 0 H CYS A 17 -7.822 -7.918 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.292 -6.643 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.475 -6.677 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.248 -5.444 1.024 1.00 0.00 H new ATOM 254 N LEU A 18 -5.891 -8.966 1.382 1.00 0.00 N ATOM 255 CA LEU A 18 -5.348 -9.811 2.444 1.00 0.00 C ATOM 256 C LEU A 18 -4.087 -10.529 1.953 1.00 0.00 C ATOM 257 O LEU A 18 -3.101 -10.653 2.700 1.00 0.00 O ATOM 258 CB LEU A 18 -6.459 -10.803 2.914 1.00 0.00 C ATOM 259 CG LEU A 18 -6.210 -11.700 4.161 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.223 -12.825 3.891 1.00 0.00 C ATOM 261 CD2 LEU A 18 -5.756 -10.858 5.346 1.00 0.00 C ATOM 0 H LEU A 18 -6.843 -9.215 1.114 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.050 -9.207 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.358 -10.218 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.682 -11.464 2.076 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.162 -12.171 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.089 -13.417 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.607 -13.462 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.265 -12.403 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.587 -11.504 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.830 -10.342 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.525 -10.125 5.587 1.00 0.00 H new ATOM 273 N ARG A 19 -4.113 -10.959 0.690 1.00 0.00 N ATOM 274 CA ARG A 19 -2.976 -11.641 0.058 1.00 0.00 C ATOM 275 C ARG A 19 -1.708 -10.783 0.104 1.00 0.00 C ATOM 276 O ARG A 19 -0.611 -11.292 0.338 1.00 0.00 O ATOM 277 CB ARG A 19 -3.287 -12.006 -1.400 1.00 0.00 C ATOM 278 CG ARG A 19 -4.423 -13.004 -1.584 1.00 0.00 C ATOM 279 CD ARG A 19 -4.634 -13.328 -3.061 1.00 0.00 C ATOM 280 NE ARG A 19 -3.430 -13.921 -3.673 1.00 0.00 N ATOM 281 CZ ARG A 19 -3.252 -14.155 -4.984 1.00 0.00 C ATOM 282 NH1 ARG A 19 -4.214 -13.883 -5.850 1.00 0.00 N ATOM 283 NH2 ARG A 19 -2.105 -14.677 -5.412 1.00 0.00 N ATOM 0 H ARG A 19 -4.919 -10.846 0.076 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.803 -12.555 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.533 -11.093 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.386 -12.415 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.200 -13.919 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.342 -12.596 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.471 -14.018 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.903 -12.418 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.666 -14.175 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.098 -13.493 -5.524 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.072 -14.063 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.365 -14.898 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.966 -14.856 -6.406 1.00 0.00 H new ATOM 297 N LEU A 20 -1.866 -9.488 -0.092 1.00 0.00 N ATOM 298 CA LEU A 20 -0.733 -8.577 -0.077 1.00 0.00 C ATOM 299 C LEU A 20 -0.322 -8.270 1.364 1.00 0.00 C ATOM 300 O LEU A 20 0.861 -8.288 1.693 1.00 0.00 O ATOM 301 CB LEU A 20 -1.065 -7.273 -0.825 1.00 0.00 C ATOM 302 CG LEU A 20 -0.007 -6.137 -0.790 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.190 -6.383 -1.719 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.651 -4.790 -1.069 1.00 0.00 C ATOM 0 H LEU A 20 -2.767 -9.041 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 20 0.100 -9.060 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.255 -7.523 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.996 -6.879 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 20 0.399 -6.131 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.888 -5.549 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.693 -7.305 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.840 -6.470 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.110 -4.010 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.116 -4.806 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.410 -4.586 -0.313 1.00 0.00 H new ATOM 316 N LYS A 21 -1.315 -8.015 2.211 1.00 0.00 N ATOM 317 CA LYS A 21 -1.095 -7.681 3.623 1.00 0.00 C ATOM 318 C LYS A 21 -0.250 -8.736 4.333 1.00 0.00 C ATOM 319 O LYS A 21 0.762 -8.417 4.963 1.00 0.00 O ATOM 320 CB LYS A 21 -2.434 -7.488 4.340 1.00 0.00 C ATOM 321 CG LYS A 21 -3.203 -6.253 3.881 1.00 0.00 C ATOM 322 CD LYS A 21 -4.568 -6.122 4.562 1.00 0.00 C ATOM 323 CE LYS A 21 -4.463 -6.141 6.083 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.757 -5.857 6.729 1.00 0.00 N ATOM 0 H LYS A 21 -2.299 -8.033 1.941 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.538 -6.744 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.053 -8.371 4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.255 -7.416 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.610 -5.362 4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.343 -6.297 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.042 -5.193 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.214 -6.937 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.101 -7.116 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.727 -5.404 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.661 -5.963 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.050 -4.884 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.474 -6.523 6.378 1.00 0.00 H new ATOM 338 N THR A 22 -0.629 -9.985 4.172 1.00 0.00 N ATOM 339 CA THR A 22 0.087 -11.082 4.791 1.00 0.00 C ATOM 340 C THR A 22 1.513 -11.229 4.229 1.00 0.00 C ATOM 341 O THR A 22 2.456 -11.564 4.967 1.00 0.00 O ATOM 342 CB THR A 22 -0.710 -12.402 4.678 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.251 -12.543 3.341 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.841 -12.437 5.696 1.00 0.00 C ATOM 0 H THR A 22 -1.434 -10.269 3.614 1.00 0.00 H new ATOM 0 HA THR A 22 0.189 -10.847 5.850 1.00 0.00 H new ATOM 0 HB THR A 22 -0.031 -13.230 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.007 -11.929 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.389 -13.374 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.428 -12.361 6.702 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.517 -11.601 5.517 1.00 0.00 H new ATOM 352 N ALA A 23 1.673 -10.924 2.945 1.00 0.00 N ATOM 353 CA ALA A 23 2.968 -10.972 2.278 1.00 0.00 C ATOM 354 C ALA A 23 3.891 -9.916 2.849 1.00 0.00 C ATOM 355 O ALA A 23 5.066 -10.180 3.106 1.00 0.00 O ATOM 356 CB ALA A 23 2.799 -10.761 0.782 1.00 0.00 C ATOM 0 H ALA A 23 0.906 -10.636 2.337 1.00 0.00 H new ATOM 0 HA ALA A 23 3.409 -11.954 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.774 -10.799 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.160 -11.544 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.342 -9.788 0.601 1.00 0.00 H new ATOM 362 N LEU A 24 3.350 -8.735 3.072 1.00 0.00 N ATOM 363 CA LEU A 24 4.113 -7.628 3.614 1.00 0.00 C ATOM 364 C LEU A 24 4.585 -7.947 5.028 1.00 0.00 C ATOM 365 O LEU A 24 5.780 -7.813 5.332 1.00 0.00 O ATOM 366 CB LEU A 24 3.298 -6.333 3.576 1.00 0.00 C ATOM 367 CG LEU A 24 2.835 -5.866 2.189 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.088 -4.557 2.286 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.003 -5.741 1.223 1.00 0.00 C ATOM 0 H LEU A 24 2.372 -8.516 2.883 1.00 0.00 H new ATOM 0 HA LEU A 24 4.995 -7.479 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.418 -6.463 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.895 -5.539 4.024 1.00 0.00 H new ATOM 0 HG LEU A 24 2.158 -6.625 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.769 -4.245 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.213 -4.684 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.741 -3.796 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.638 -5.408 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.719 -5.015 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.491 -6.710 1.115 1.00 0.00 H new ATOM 381 N THR A 25 3.663 -8.422 5.866 1.00 0.00 N ATOM 382 CA THR A 25 3.978 -8.832 7.231 1.00 0.00 C ATOM 383 C THR A 25 5.118 -9.887 7.240 1.00 0.00 C ATOM 384 O THR A 25 6.080 -9.783 8.016 1.00 0.00 O ATOM 385 CB THR A 25 2.710 -9.425 7.915 1.00 0.00 C ATOM 386 OG1 THR A 25 1.652 -8.448 7.913 1.00 0.00 O ATOM 387 CG2 THR A 25 2.990 -9.862 9.353 1.00 0.00 C ATOM 0 H THR A 25 2.680 -8.532 5.617 1.00 0.00 H new ATOM 0 HA THR A 25 4.311 -7.954 7.784 1.00 0.00 H new ATOM 0 HB THR A 25 2.411 -10.305 7.346 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.271 -8.380 7.013 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.080 -10.269 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.768 -10.625 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.322 -9.003 9.936 1.00 0.00 H new ATOM 395 N ALA A 26 5.048 -10.838 6.320 1.00 0.00 N ATOM 396 CA ALA A 26 6.016 -11.922 6.257 1.00 0.00 C ATOM 397 C ALA A 26 7.356 -11.488 5.665 1.00 0.00 C ATOM 398 O ALA A 26 8.358 -12.200 5.772 1.00 0.00 O ATOM 399 CB ALA A 26 5.444 -13.100 5.495 1.00 0.00 C ATOM 0 H ALA A 26 4.325 -10.880 5.602 1.00 0.00 H new ATOM 0 HA ALA A 26 6.217 -12.227 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.181 -13.902 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.545 -13.457 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.193 -12.790 4.481 1.00 0.00 H new ATOM 405 N ASN A 27 7.378 -10.330 5.061 1.00 0.00 N ATOM 406 CA ASN A 27 8.584 -9.813 4.434 1.00 0.00 C ATOM 407 C ASN A 27 9.166 -8.636 5.200 1.00 0.00 C ATOM 408 O ASN A 27 10.039 -7.930 4.699 1.00 0.00 O ATOM 409 CB ASN A 27 8.327 -9.457 2.959 1.00 0.00 C ATOM 410 CG ASN A 27 8.371 -10.666 2.039 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.438 -11.033 1.529 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.245 -11.278 1.799 1.00 0.00 N ATOM 0 H ASN A 27 6.569 -9.714 4.985 1.00 0.00 H new ATOM 0 HA ASN A 27 9.332 -10.606 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.353 -8.976 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.071 -8.731 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.226 -12.085 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.383 -10.950 2.235 1.00 0.00 H new ATOM 419 N ARG A 28 8.686 -8.458 6.441 1.00 0.00 N ATOM 420 CA ARG A 28 9.113 -7.375 7.372 1.00 0.00 C ATOM 421 C ARG A 28 8.719 -5.994 6.869 1.00 0.00 C ATOM 422 O ARG A 28 9.229 -4.982 7.354 1.00 0.00 O ATOM 423 CB ARG A 28 10.633 -7.365 7.676 1.00 0.00 C ATOM 424 CG ARG A 28 11.200 -8.610 8.328 1.00 0.00 C ATOM 425 CD ARG A 28 12.579 -8.320 8.927 1.00 0.00 C ATOM 426 NE ARG A 28 13.538 -7.758 7.949 1.00 0.00 N ATOM 427 CZ ARG A 28 14.479 -6.823 8.236 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.556 -6.295 9.467 1.00 0.00 N ATOM 429 NH2 ARG A 28 15.320 -6.407 7.289 1.00 0.00 N ATOM 0 H ARG A 28 7.976 -9.069 6.843 1.00 0.00 H new ATOM 0 HA ARG A 28 8.583 -7.603 8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.167 -7.196 6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.846 -6.514 8.323 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.524 -8.959 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.277 -9.410 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.467 -7.622 9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.989 -9.242 9.339 1.00 0.00 H new ATOM 0 HE ARG A 28 13.488 -8.099 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.905 -6.596 10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.265 -5.593 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.257 -6.791 6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.026 -5.704 7.507 1.00 0.00 H new ATOM 443 N ILE A 29 7.807 -5.937 5.946 1.00 0.00 N ATOM 444 CA ILE A 29 7.404 -4.681 5.395 1.00 0.00 C ATOM 445 C ILE A 29 6.295 -4.109 6.260 1.00 0.00 C ATOM 446 O ILE A 29 5.250 -4.739 6.446 1.00 0.00 O ATOM 447 CB ILE A 29 6.941 -4.817 3.923 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.064 -5.450 3.075 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.566 -3.447 3.368 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.702 -5.689 1.621 1.00 0.00 C ATOM 0 H ILE A 29 7.327 -6.749 5.558 1.00 0.00 H new ATOM 0 HA ILE A 29 8.260 -4.006 5.389 1.00 0.00 H new ATOM 0 HB ILE A 29 6.064 -5.464 3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.940 -4.803 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.349 -6.401 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.241 -3.550 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.756 -3.023 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.432 -2.787 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.551 -6.136 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.847 -6.363 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.448 -4.740 1.149 1.00 0.00 H new ATOM 462 N ALA A 30 6.563 -2.978 6.850 1.00 0.00 N ATOM 463 CA ALA A 30 5.618 -2.317 7.713 1.00 0.00 C ATOM 464 C ALA A 30 4.682 -1.472 6.879 1.00 0.00 C ATOM 465 O ALA A 30 5.098 -0.907 5.863 1.00 0.00 O ATOM 466 CB ALA A 30 6.361 -1.457 8.721 1.00 0.00 C ATOM 0 H ALA A 30 7.449 -2.483 6.746 1.00 0.00 H new ATOM 0 HA ALA A 30 5.032 -3.059 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.644 -0.958 9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.019 -2.086 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.954 -0.709 8.194 1.00 0.00 H new ATOM 472 N TYR A 31 3.438 -1.390 7.280 1.00 0.00 N ATOM 473 CA TYR A 31 2.462 -0.624 6.543 1.00 0.00 C ATOM 474 C TYR A 31 1.369 -0.116 7.455 1.00 0.00 C ATOM 475 O TYR A 31 1.067 -0.732 8.477 1.00 0.00 O ATOM 476 CB TYR A 31 1.856 -1.465 5.398 1.00 0.00 C ATOM 477 CG TYR A 31 1.091 -2.715 5.829 1.00 0.00 C ATOM 478 CD1 TYR A 31 1.749 -3.917 6.069 1.00 0.00 C ATOM 479 CD2 TYR A 31 -0.292 -2.685 5.987 1.00 0.00 C ATOM 480 CE1 TYR A 31 1.055 -5.045 6.454 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.991 -3.809 6.371 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.315 -4.988 6.605 1.00 0.00 C ATOM 483 OH TYR A 31 -1.010 -6.111 6.990 1.00 0.00 O ATOM 0 H TYR A 31 3.075 -1.846 8.117 1.00 0.00 H new ATOM 0 HA TYR A 31 2.973 0.236 6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.183 -0.830 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.661 -1.767 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.821 -3.968 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.827 -1.764 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.582 -5.970 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.064 -3.767 6.488 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.805 -5.846 7.497 1.00 0.00 H new ATOM 493 N ASP A 32 0.797 0.998 7.100 1.00 0.00 N ATOM 494 CA ASP A 32 -0.317 1.566 7.825 1.00 0.00 C ATOM 495 C ASP A 32 -1.532 1.533 6.934 1.00 0.00 C ATOM 496 O ASP A 32 -1.555 2.197 5.895 1.00 0.00 O ATOM 497 CB ASP A 32 -0.044 3.022 8.245 1.00 0.00 C ATOM 498 CG ASP A 32 0.994 3.181 9.339 1.00 0.00 C ATOM 499 OD1 ASP A 32 0.614 3.115 10.545 1.00 0.00 O ATOM 500 OD2 ASP A 32 2.174 3.453 9.032 1.00 0.00 O ATOM 0 H ASP A 32 1.089 1.548 6.292 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.474 0.980 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.282 3.584 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.979 3.470 8.582 1.00 0.00 H new ATOM 505 N GLU A 33 -2.516 0.739 7.286 1.00 0.00 N ATOM 506 CA GLU A 33 -3.718 0.672 6.489 1.00 0.00 C ATOM 507 C GLU A 33 -4.735 1.690 7.013 1.00 0.00 C ATOM 508 O GLU A 33 -4.789 1.972 8.226 1.00 0.00 O ATOM 509 CB GLU A 33 -4.270 -0.761 6.403 1.00 0.00 C ATOM 510 CG GLU A 33 -4.780 -1.346 7.703 1.00 0.00 C ATOM 511 CD GLU A 33 -5.107 -2.811 7.566 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.065 -3.174 6.825 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.390 -3.640 8.170 1.00 0.00 O ATOM 0 H GLU A 33 -2.509 0.137 8.109 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.484 0.943 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.082 -0.775 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.485 -1.411 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.029 -1.212 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.670 -0.803 8.022 1.00 0.00 H new ATOM 520 N VAL A 34 -5.485 2.259 6.110 1.00 0.00 N ATOM 521 CA VAL A 34 -6.362 3.376 6.412 1.00 0.00 C ATOM 522 C VAL A 34 -7.798 2.956 6.827 1.00 0.00 C ATOM 523 O VAL A 34 -8.331 1.943 6.394 1.00 0.00 O ATOM 524 CB VAL A 34 -6.391 4.376 5.204 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.230 5.612 5.479 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.979 4.774 4.807 1.00 0.00 C ATOM 0 H VAL A 34 -5.511 1.964 5.134 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.944 3.872 7.288 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.866 3.850 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.212 6.266 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.258 5.315 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.824 6.143 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.019 5.468 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.485 5.254 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.419 3.885 4.517 1.00 0.00 H new ATOM 536 N ASP A 35 -8.390 3.831 7.639 1.00 0.00 N ATOM 537 CA ASP A 35 -9.744 3.788 8.257 1.00 0.00 C ATOM 538 C ASP A 35 -10.914 3.607 7.255 1.00 0.00 C ATOM 539 O ASP A 35 -12.063 3.503 7.681 1.00 0.00 O ATOM 540 CB ASP A 35 -10.004 5.153 8.928 1.00 0.00 C ATOM 541 CG ASP A 35 -8.937 5.634 9.885 1.00 0.00 C ATOM 542 OD1 ASP A 35 -7.776 5.868 9.450 1.00 0.00 O ATOM 543 OD2 ASP A 35 -9.241 5.876 11.056 1.00 0.00 O ATOM 0 H ASP A 35 -7.896 4.679 7.918 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.729 2.931 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.128 5.902 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.949 5.096 9.468 1.00 0.00 H new ATOM 548 N ILE A 36 -10.627 3.594 5.958 1.00 0.00 N ATOM 549 CA ILE A 36 -11.641 3.678 4.858 1.00 0.00 C ATOM 550 C ILE A 36 -12.835 2.721 4.954 1.00 0.00 C ATOM 551 O ILE A 36 -13.882 2.984 4.363 1.00 0.00 O ATOM 552 CB ILE A 36 -11.022 3.487 3.466 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.397 2.108 3.345 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.981 4.554 3.208 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.123 1.706 1.926 1.00 0.00 C ATOM 0 H ILE A 36 -9.670 3.524 5.612 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.020 4.691 4.996 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.813 3.576 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.464 2.088 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.061 1.374 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.549 4.409 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.448 5.538 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.195 4.485 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.677 0.712 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.057 1.694 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.436 2.420 1.472 1.00 0.00 H new ATOM 567 N GLU A 37 -12.696 1.633 5.673 1.00 0.00 N ATOM 568 CA GLU A 37 -13.774 0.678 5.765 1.00 0.00 C ATOM 569 C GLU A 37 -14.928 1.201 6.638 1.00 0.00 C ATOM 570 O GLU A 37 -16.030 0.636 6.659 1.00 0.00 O ATOM 571 CB GLU A 37 -13.243 -0.710 6.136 1.00 0.00 C ATOM 572 CG GLU A 37 -12.528 -0.840 7.472 1.00 0.00 C ATOM 573 CD GLU A 37 -13.475 -1.027 8.619 1.00 0.00 C ATOM 574 OE1 GLU A 37 -14.295 -1.966 8.575 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.395 -0.265 9.600 1.00 0.00 O ATOM 0 H GLU A 37 -11.856 1.388 6.198 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.227 0.552 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.082 -1.406 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.557 -1.031 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.842 -1.686 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.925 0.052 7.645 1.00 0.00 H new ATOM 582 N HIS A 38 -14.652 2.264 7.366 1.00 0.00 N ATOM 583 CA HIS A 38 -15.672 2.998 8.084 1.00 0.00 C ATOM 584 C HIS A 38 -15.589 4.506 7.757 1.00 0.00 C ATOM 585 O HIS A 38 -16.604 5.186 7.666 1.00 0.00 O ATOM 586 CB HIS A 38 -15.648 2.725 9.611 1.00 0.00 C ATOM 587 CG HIS A 38 -14.372 3.074 10.322 1.00 0.00 C ATOM 588 ND1 HIS A 38 -13.351 2.187 10.535 1.00 0.00 N ATOM 589 CD2 HIS A 38 -13.985 4.232 10.900 1.00 0.00 C ATOM 590 CE1 HIS A 38 -12.396 2.803 11.219 1.00 0.00 C ATOM 591 NE2 HIS A 38 -12.729 4.057 11.472 1.00 0.00 N ATOM 0 H HIS A 38 -13.712 2.643 7.476 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.639 2.632 7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.462 3.283 10.073 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.854 1.667 9.774 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.329 1.217 10.221 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.559 5.147 10.916 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.470 2.342 11.528 1.00 0.00 H new ATOM 599 N ASN A 39 -14.371 5.012 7.554 1.00 0.00 N ATOM 600 CA ASN A 39 -14.163 6.430 7.241 1.00 0.00 C ATOM 601 C ASN A 39 -14.431 6.700 5.785 1.00 0.00 C ATOM 602 O ASN A 39 -13.614 6.360 4.918 1.00 0.00 O ATOM 603 CB ASN A 39 -12.738 6.882 7.534 1.00 0.00 C ATOM 604 CG ASN A 39 -12.517 8.367 7.225 1.00 0.00 C ATOM 605 OD1 ASN A 39 -13.397 9.196 7.428 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.413 8.679 6.604 1.00 0.00 N ATOM 0 H ASN A 39 -13.513 4.462 7.600 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.857 6.983 7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.510 6.695 8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.042 6.284 6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.266 9.633 6.274 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.697 7.969 6.449 1.00 0.00 H new ATOM 613 N ARG A 40 -15.527 7.345 5.522 1.00 0.00 N ATOM 614 CA ARG A 40 -15.930 7.659 4.169 1.00 0.00 C ATOM 615 C ARG A 40 -15.041 8.737 3.531 1.00 0.00 C ATOM 616 O ARG A 40 -14.909 8.784 2.325 1.00 0.00 O ATOM 617 CB ARG A 40 -17.397 8.085 4.140 1.00 0.00 C ATOM 618 CG ARG A 40 -17.695 9.358 4.906 1.00 0.00 C ATOM 619 CD ARG A 40 -19.181 9.619 4.974 1.00 0.00 C ATOM 620 NE ARG A 40 -19.808 9.721 3.653 1.00 0.00 N ATOM 621 CZ ARG A 40 -21.087 9.387 3.399 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.877 8.931 4.380 1.00 0.00 N ATOM 623 NH2 ARG A 40 -21.574 9.514 2.172 1.00 0.00 N ATOM 0 H ARG A 40 -16.176 7.673 6.238 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.808 6.754 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.703 8.220 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -18.005 7.278 4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.290 9.282 5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.197 10.200 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.659 8.817 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.357 10.543 5.525 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.240 10.066 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.510 8.835 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.845 8.680 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.979 9.865 1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.543 9.261 1.979 1.00 0.00 H new ATOM 637 N ALA A 41 -14.389 9.568 4.349 1.00 0.00 N ATOM 638 CA ALA A 41 -13.595 10.664 3.805 1.00 0.00 C ATOM 639 C ALA A 41 -12.328 10.192 3.107 1.00 0.00 C ATOM 640 O ALA A 41 -11.999 10.659 2.011 1.00 0.00 O ATOM 641 CB ALA A 41 -13.342 11.756 4.827 1.00 0.00 C ATOM 0 H ALA A 41 -14.396 9.503 5.367 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.201 11.119 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.747 12.548 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.294 12.165 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.803 11.340 5.678 1.00 0.00 H new ATOM 647 N ALA A 42 -11.649 9.238 3.694 1.00 0.00 N ATOM 648 CA ALA A 42 -10.465 8.691 3.061 1.00 0.00 C ATOM 649 C ALA A 42 -10.879 7.691 2.000 1.00 0.00 C ATOM 650 O ALA A 42 -10.145 7.429 1.055 1.00 0.00 O ATOM 651 CB ALA A 42 -9.538 8.057 4.079 1.00 0.00 C ATOM 0 H ALA A 42 -11.887 8.826 4.596 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.911 9.502 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.660 7.657 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.227 8.808 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.060 7.250 4.593 1.00 0.00 H new ATOM 657 N ALA A 43 -12.084 7.144 2.159 1.00 0.00 N ATOM 658 CA ALA A 43 -12.643 6.217 1.191 1.00 0.00 C ATOM 659 C ALA A 43 -12.958 6.964 -0.096 1.00 0.00 C ATOM 660 O ALA A 43 -12.787 6.435 -1.200 1.00 0.00 O ATOM 661 CB ALA A 43 -13.885 5.552 1.752 1.00 0.00 C ATOM 0 H ALA A 43 -12.691 7.332 2.957 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.916 5.434 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.292 4.860 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.627 5.005 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.630 6.312 1.987 1.00 0.00 H new ATOM 667 N GLU A 44 -13.386 8.209 0.067 1.00 0.00 N ATOM 668 CA GLU A 44 -13.654 9.113 -1.032 1.00 0.00 C ATOM 669 C GLU A 44 -12.360 9.338 -1.823 1.00 0.00 C ATOM 670 O GLU A 44 -12.359 9.337 -3.055 1.00 0.00 O ATOM 671 CB GLU A 44 -14.185 10.444 -0.476 1.00 0.00 C ATOM 672 CG GLU A 44 -14.637 11.452 -1.519 1.00 0.00 C ATOM 673 CD GLU A 44 -15.764 10.932 -2.371 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.912 10.849 -1.887 1.00 0.00 O ATOM 675 OE2 GLU A 44 -15.539 10.618 -3.543 1.00 0.00 O ATOM 0 H GLU A 44 -13.558 8.621 0.984 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.405 8.686 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.024 10.232 0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.405 10.901 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.955 12.368 -1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.793 11.713 -2.158 1.00 0.00 H new ATOM 682 N PHE A 45 -11.250 9.456 -1.095 1.00 0.00 N ATOM 683 CA PHE A 45 -9.938 9.646 -1.700 1.00 0.00 C ATOM 684 C PHE A 45 -9.528 8.409 -2.495 1.00 0.00 C ATOM 685 O PHE A 45 -8.845 8.512 -3.512 1.00 0.00 O ATOM 686 CB PHE A 45 -8.873 10.003 -0.646 1.00 0.00 C ATOM 687 CG PHE A 45 -7.493 10.203 -1.226 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.216 11.298 -2.028 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.481 9.291 -0.974 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.958 11.478 -2.569 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.220 9.467 -1.510 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.958 10.561 -2.308 1.00 0.00 C ATOM 0 H PHE A 45 -11.237 9.422 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.009 10.489 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.176 10.913 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.833 9.210 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.993 12.020 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.680 8.432 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.756 12.334 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.440 8.749 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.973 10.701 -2.728 1.00 0.00 H new ATOM 702 N VAL A 46 -9.980 7.247 -2.054 1.00 0.00 N ATOM 703 CA VAL A 46 -9.707 6.004 -2.766 1.00 0.00 C ATOM 704 C VAL A 46 -10.379 6.052 -4.141 1.00 0.00 C ATOM 705 O VAL A 46 -9.817 5.607 -5.144 1.00 0.00 O ATOM 706 CB VAL A 46 -10.196 4.751 -1.980 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.926 3.465 -2.754 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.520 4.686 -0.632 1.00 0.00 C ATOM 0 H VAL A 46 -10.538 7.136 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.626 5.913 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.273 4.845 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.280 2.611 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.450 3.499 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.855 3.365 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.870 3.806 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.441 4.623 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.761 5.582 -0.060 1.00 0.00 H new ATOM 718 N GLY A 47 -11.557 6.653 -4.180 1.00 0.00 N ATOM 719 CA GLY A 47 -12.276 6.817 -5.421 1.00 0.00 C ATOM 720 C GLY A 47 -11.705 7.948 -6.251 1.00 0.00 C ATOM 721 O GLY A 47 -11.927 8.023 -7.452 1.00 0.00 O ATOM 0 H GLY A 47 -12.032 7.034 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.234 5.889 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.327 7.014 -5.210 1.00 0.00 H new ATOM 725 N SER A 48 -10.960 8.823 -5.605 1.00 0.00 N ATOM 726 CA SER A 48 -10.313 9.917 -6.284 1.00 0.00 C ATOM 727 C SER A 48 -9.079 9.412 -7.039 1.00 0.00 C ATOM 728 O SER A 48 -8.708 9.959 -8.068 1.00 0.00 O ATOM 729 CB SER A 48 -9.901 10.984 -5.271 1.00 0.00 C ATOM 730 OG SER A 48 -10.997 11.342 -4.441 1.00 0.00 O ATOM 0 H SER A 48 -10.789 8.792 -4.600 1.00 0.00 H new ATOM 0 HA SER A 48 -11.011 10.352 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.081 10.612 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.532 11.866 -5.795 1.00 0.00 H new ATOM 0 HG SER A 48 -11.330 10.546 -3.977 1.00 0.00 H new ATOM 736 N VAL A 49 -8.443 8.364 -6.512 1.00 0.00 N ATOM 737 CA VAL A 49 -7.253 7.802 -7.147 1.00 0.00 C ATOM 738 C VAL A 49 -7.574 6.565 -7.989 1.00 0.00 C ATOM 739 O VAL A 49 -6.722 6.068 -8.733 1.00 0.00 O ATOM 740 CB VAL A 49 -6.111 7.486 -6.130 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.639 8.757 -5.442 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.544 6.450 -5.099 1.00 0.00 C ATOM 0 H VAL A 49 -8.730 7.892 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.888 8.582 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.279 7.063 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.843 8.515 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.263 9.457 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.472 9.212 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.722 6.257 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.403 6.826 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.817 5.524 -5.606 1.00 0.00 H new ATOM 752 N ASN A 50 -8.771 6.053 -7.847 1.00 0.00 N ATOM 753 CA ASN A 50 -9.231 4.941 -8.658 1.00 0.00 C ATOM 754 C ASN A 50 -10.512 5.338 -9.311 1.00 0.00 C ATOM 755 O ASN A 50 -11.554 5.405 -8.660 1.00 0.00 O ATOM 756 CB ASN A 50 -9.448 3.643 -7.860 1.00 0.00 C ATOM 757 CG ASN A 50 -8.189 3.045 -7.276 1.00 0.00 C ATOM 758 OD1 ASN A 50 -7.469 2.331 -7.950 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.953 3.271 -6.016 1.00 0.00 N ATOM 0 H ASN A 50 -9.456 6.390 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.451 4.725 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.149 3.843 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.916 2.905 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.144 2.844 -5.564 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.577 3.875 -5.481 1.00 0.00 H new ATOM 766 N GLY A 51 -10.438 5.621 -10.576 1.00 0.00 N ATOM 767 CA GLY A 51 -11.576 6.106 -11.301 1.00 0.00 C ATOM 768 C GLY A 51 -12.644 5.066 -11.530 1.00 0.00 C ATOM 769 O GLY A 51 -12.344 3.910 -11.886 1.00 0.00 O ATOM 0 H GLY A 51 -9.590 5.523 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.010 6.945 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.243 6.489 -12.266 1.00 0.00 H new ATOM 773 N GLY A 52 -13.880 5.465 -11.301 1.00 0.00 N ATOM 774 CA GLY A 52 -15.022 4.617 -11.544 1.00 0.00 C ATOM 775 C GLY A 52 -15.318 3.663 -10.411 1.00 0.00 C ATOM 776 O GLY A 52 -16.399 3.701 -9.814 1.00 0.00 O ATOM 0 H GLY A 52 -14.117 6.389 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.897 5.242 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.851 4.044 -12.455 1.00 0.00 H new ATOM 780 N ASN A 53 -14.370 2.833 -10.097 1.00 0.00 N ATOM 781 CA ASN A 53 -14.545 1.815 -9.086 1.00 0.00 C ATOM 782 C ASN A 53 -13.458 1.920 -8.045 1.00 0.00 C ATOM 783 O ASN A 53 -12.275 2.063 -8.390 1.00 0.00 O ATOM 784 CB ASN A 53 -14.497 0.432 -9.736 1.00 0.00 C ATOM 785 CG ASN A 53 -14.748 -0.702 -8.765 1.00 0.00 C ATOM 786 OD1 ASN A 53 -13.824 -1.236 -8.154 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.984 -1.089 -8.638 1.00 0.00 N ATOM 0 H ASN A 53 -13.447 2.836 -10.532 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.512 1.960 -8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.239 0.388 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.521 0.292 -10.201 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.215 -1.862 -8.014 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.722 -0.619 -9.163 1.00 0.00 H new ATOM 794 N ARG A 54 -13.839 1.870 -6.786 1.00 0.00 N ATOM 795 CA ARG A 54 -12.879 1.883 -5.710 1.00 0.00 C ATOM 796 C ARG A 54 -12.115 0.580 -5.657 1.00 0.00 C ATOM 797 O ARG A 54 -12.596 -0.425 -5.123 1.00 0.00 O ATOM 798 CB ARG A 54 -13.519 2.191 -4.352 1.00 0.00 C ATOM 799 CG ARG A 54 -13.822 3.662 -4.120 1.00 0.00 C ATOM 800 CD ARG A 54 -14.418 3.892 -2.740 1.00 0.00 C ATOM 801 NE ARG A 54 -15.793 3.386 -2.630 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.322 2.783 -1.550 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.536 2.362 -0.561 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.631 2.551 -1.495 1.00 0.00 N ATOM 0 H ARG A 54 -14.812 1.820 -6.485 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.181 2.693 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.445 1.623 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.854 1.841 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.907 4.245 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.516 4.017 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.794 3.404 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.408 4.959 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.399 3.502 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.527 2.496 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.943 1.906 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.231 2.830 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.034 2.094 -0.677 1.00 0.00 H new ATOM 818 N THR A 55 -10.966 0.586 -6.272 1.00 0.00 N ATOM 819 CA THR A 55 -10.102 -0.545 -6.271 1.00 0.00 C ATOM 820 C THR A 55 -9.418 -0.595 -4.928 1.00 0.00 C ATOM 821 O THR A 55 -8.933 0.435 -4.465 1.00 0.00 O ATOM 822 CB THR A 55 -9.053 -0.395 -7.377 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.741 -0.047 -8.603 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.313 -1.712 -7.582 1.00 0.00 C ATOM 0 H THR A 55 -10.606 1.387 -6.791 1.00 0.00 H new ATOM 0 HA THR A 55 -10.667 -1.460 -6.450 1.00 0.00 H new ATOM 0 HB THR A 55 -8.333 0.375 -7.101 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.088 0.056 -9.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.570 -1.593 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.816 -1.998 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.023 -2.488 -7.867 1.00 0.00 H new ATOM 832 N VAL A 56 -9.424 -1.757 -4.292 1.00 0.00 N ATOM 833 CA VAL A 56 -8.823 -1.898 -3.005 1.00 0.00 C ATOM 834 C VAL A 56 -7.438 -1.618 -2.737 1.00 0.00 C ATOM 835 O VAL A 56 -7.143 -0.478 -2.433 1.00 0.00 O ATOM 836 CB VAL A 56 -9.651 -1.949 -1.730 1.00 0.00 C ATOM 837 CG1 VAL A 56 -10.254 -0.604 -1.427 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.664 -3.036 -1.762 1.00 0.00 C ATOM 0 H VAL A 56 -9.844 -2.610 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.814 -2.883 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.979 -2.194 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.841 -0.667 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.459 0.131 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.899 -0.300 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.230 -3.033 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.343 -2.876 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.163 -3.997 -1.879 1.00 0.00 H new ATOM 848 N PRO A 57 -6.510 -2.574 -2.858 1.00 0.00 N ATOM 849 CA PRO A 57 -5.234 -2.356 -2.302 1.00 0.00 C ATOM 850 C PRO A 57 -4.431 -1.277 -3.067 1.00 0.00 C ATOM 851 O PRO A 57 -3.799 -1.540 -4.110 1.00 0.00 O ATOM 852 CB PRO A 57 -4.556 -3.712 -2.323 1.00 0.00 C ATOM 853 CG PRO A 57 -5.158 -4.374 -3.513 1.00 0.00 C ATOM 854 CD PRO A 57 -6.583 -3.873 -3.579 1.00 0.00 C ATOM 0 HA PRO A 57 -5.302 -1.961 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.474 -3.620 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.749 -4.273 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.611 -4.121 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.128 -5.459 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.920 -3.746 -4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.277 -4.563 -3.099 1.00 0.00 H new ATOM 862 N THR A 58 -4.532 -0.086 -2.586 1.00 0.00 N ATOM 863 CA THR A 58 -3.912 1.030 -3.177 1.00 0.00 C ATOM 864 C THR A 58 -2.957 1.615 -2.149 1.00 0.00 C ATOM 865 O THR A 58 -3.373 2.091 -1.094 1.00 0.00 O ATOM 866 CB THR A 58 -5.000 2.055 -3.582 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.082 1.366 -4.239 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.456 3.064 -4.564 1.00 0.00 C ATOM 0 H THR A 58 -5.066 0.136 -1.746 1.00 0.00 H new ATOM 0 HA THR A 58 -3.358 0.757 -4.075 1.00 0.00 H new ATOM 0 HB THR A 58 -5.335 2.560 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.573 0.828 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.241 3.771 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.623 3.601 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.111 2.549 -5.461 1.00 0.00 H new ATOM 876 N VAL A 59 -1.696 1.517 -2.422 1.00 0.00 N ATOM 877 CA VAL A 59 -0.684 1.955 -1.500 1.00 0.00 C ATOM 878 C VAL A 59 -0.088 3.289 -1.929 1.00 0.00 C ATOM 879 O VAL A 59 0.182 3.523 -3.112 1.00 0.00 O ATOM 880 CB VAL A 59 0.419 0.868 -1.312 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.951 0.420 -2.646 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.558 1.358 -0.412 1.00 0.00 C ATOM 0 H VAL A 59 -1.332 1.130 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.160 2.106 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.043 0.016 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.719 -0.338 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.139 0.000 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.381 1.273 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.304 0.570 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.020 2.239 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.161 1.614 0.570 1.00 0.00 H new ATOM 892 N LYS A 60 0.048 4.158 -0.983 1.00 0.00 N ATOM 893 CA LYS A 60 0.634 5.444 -1.168 1.00 0.00 C ATOM 894 C LYS A 60 1.988 5.448 -0.474 1.00 0.00 C ATOM 895 O LYS A 60 2.068 5.234 0.742 1.00 0.00 O ATOM 896 CB LYS A 60 -0.302 6.501 -0.566 1.00 0.00 C ATOM 897 CG LYS A 60 0.168 7.931 -0.645 1.00 0.00 C ATOM 898 CD LYS A 60 -0.920 8.851 -0.128 1.00 0.00 C ATOM 899 CE LYS A 60 -0.512 10.306 -0.182 1.00 0.00 C ATOM 900 NZ LYS A 60 0.579 10.631 0.766 1.00 0.00 N ATOM 0 H LYS A 60 -0.257 3.986 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 60 0.776 5.672 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.267 6.430 -1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.469 6.253 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.077 8.059 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.416 8.187 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.825 8.707 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.163 8.582 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.193 10.552 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.378 10.930 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.761 11.655 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.301 10.345 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.442 10.121 0.490 1.00 0.00 H new ATOM 914 N PHE A 61 3.033 5.621 -1.252 1.00 0.00 N ATOM 915 CA PHE A 61 4.392 5.671 -0.729 1.00 0.00 C ATOM 916 C PHE A 61 4.827 7.128 -0.632 1.00 0.00 C ATOM 917 O PHE A 61 4.102 8.026 -1.071 1.00 0.00 O ATOM 918 CB PHE A 61 5.392 4.941 -1.677 1.00 0.00 C ATOM 919 CG PHE A 61 5.188 3.473 -1.874 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.358 3.023 -2.888 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.835 2.531 -1.067 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.170 1.680 -3.100 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.634 1.180 -1.289 1.00 0.00 C ATOM 924 CZ PHE A 61 4.806 0.760 -2.304 1.00 0.00 C ATOM 0 H PHE A 61 2.972 5.731 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 61 4.398 5.182 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.348 5.424 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.400 5.095 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.852 3.738 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.490 2.857 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.520 1.346 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.129 0.453 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.656 -0.296 -2.475 1.00 0.00 H new ATOM 934 N ALA A 62 6.055 7.346 -0.141 1.00 0.00 N ATOM 935 CA ALA A 62 6.698 8.686 -0.082 1.00 0.00 C ATOM 936 C ALA A 62 6.954 9.215 -1.506 1.00 0.00 C ATOM 937 O ALA A 62 7.359 10.361 -1.722 1.00 0.00 O ATOM 938 CB ALA A 62 7.998 8.618 0.705 1.00 0.00 C ATOM 0 H ALA A 62 6.642 6.599 0.231 1.00 0.00 H new ATOM 0 HA ALA A 62 6.025 9.375 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.455 9.607 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.791 8.279 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.680 7.919 0.221 1.00 0.00 H new ATOM 944 N ASP A 63 6.739 8.319 -2.452 1.00 0.00 N ATOM 945 CA ASP A 63 6.815 8.558 -3.889 1.00 0.00 C ATOM 946 C ASP A 63 5.742 9.594 -4.316 1.00 0.00 C ATOM 947 O ASP A 63 5.849 10.231 -5.364 1.00 0.00 O ATOM 948 CB ASP A 63 6.546 7.198 -4.567 1.00 0.00 C ATOM 949 CG ASP A 63 6.398 7.228 -6.062 1.00 0.00 C ATOM 950 OD1 ASP A 63 5.267 7.407 -6.535 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.382 6.966 -6.780 1.00 0.00 O ATOM 0 H ASP A 63 6.494 7.354 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 63 7.788 8.958 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.362 6.521 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.637 6.774 -4.140 1.00 0.00 H new ATOM 956 N GLY A 64 4.735 9.771 -3.475 1.00 0.00 N ATOM 957 CA GLY A 64 3.703 10.768 -3.706 1.00 0.00 C ATOM 958 C GLY A 64 2.555 10.260 -4.552 1.00 0.00 C ATOM 959 O GLY A 64 1.434 10.779 -4.476 1.00 0.00 O ATOM 0 H GLY A 64 4.611 9.231 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.315 11.107 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.148 11.635 -4.194 1.00 0.00 H new ATOM 963 N SER A 65 2.806 9.245 -5.322 1.00 0.00 N ATOM 964 CA SER A 65 1.793 8.670 -6.140 1.00 0.00 C ATOM 965 C SER A 65 1.278 7.409 -5.459 1.00 0.00 C ATOM 966 O SER A 65 1.864 6.935 -4.452 1.00 0.00 O ATOM 967 CB SER A 65 2.348 8.376 -7.551 1.00 0.00 C ATOM 968 OG SER A 65 1.339 7.924 -8.455 1.00 0.00 O ATOM 0 H SER A 65 3.719 8.796 -5.398 1.00 0.00 H new ATOM 0 HA SER A 65 0.963 9.366 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.811 9.278 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.131 7.621 -7.479 1.00 0.00 H new ATOM 0 HG SER A 65 1.739 7.753 -9.333 1.00 0.00 H new ATOM 974 N THR A 66 0.241 6.860 -5.987 1.00 0.00 N ATOM 975 CA THR A 66 -0.362 5.696 -5.441 1.00 0.00 C ATOM 976 C THR A 66 -0.197 4.548 -6.406 1.00 0.00 C ATOM 977 O THR A 66 -0.248 4.735 -7.629 1.00 0.00 O ATOM 978 CB THR A 66 -1.860 5.943 -5.154 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.474 6.583 -6.290 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.051 6.809 -3.920 1.00 0.00 C ATOM 0 H THR A 66 -0.220 7.214 -6.825 1.00 0.00 H new ATOM 0 HA THR A 66 0.128 5.450 -4.499 1.00 0.00 H new ATOM 0 HB THR A 66 -2.332 4.978 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.214 7.149 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.116 6.964 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.610 6.313 -3.055 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.564 7.772 -4.073 1.00 0.00 H new ATOM 988 N LEU A 67 0.054 3.397 -5.877 1.00 0.00 N ATOM 989 CA LEU A 67 0.202 2.226 -6.674 1.00 0.00 C ATOM 990 C LEU A 67 -0.929 1.283 -6.326 1.00 0.00 C ATOM 991 O LEU A 67 -1.148 0.970 -5.152 1.00 0.00 O ATOM 992 CB LEU A 67 1.571 1.594 -6.421 1.00 0.00 C ATOM 993 CG LEU A 67 1.951 0.380 -7.275 1.00 0.00 C ATOM 994 CD1 LEU A 67 1.971 0.738 -8.754 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.306 -0.139 -6.849 1.00 0.00 C ATOM 0 H LEU A 67 0.163 3.242 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 67 0.153 2.464 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.330 2.362 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.618 1.298 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 67 1.201 -0.396 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.244 -0.141 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.983 1.083 -9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.701 1.529 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.573 -1.002 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.053 0.643 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.270 -0.433 -5.800 1.00 0.00 H new ATOM 1007 N THR A 68 -1.663 0.870 -7.308 1.00 0.00 N ATOM 1008 CA THR A 68 -2.811 0.045 -7.081 1.00 0.00 C ATOM 1009 C THR A 68 -2.490 -1.391 -7.489 1.00 0.00 C ATOM 1010 O THR A 68 -1.723 -1.603 -8.424 1.00 0.00 O ATOM 1011 CB THR A 68 -3.993 0.574 -7.900 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.967 2.014 -7.845 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.296 0.099 -7.293 1.00 0.00 C ATOM 0 H THR A 68 -1.487 1.093 -8.288 1.00 0.00 H new ATOM 0 HA THR A 68 -3.076 0.066 -6.024 1.00 0.00 H new ATOM 0 HB THR A 68 -3.918 0.215 -8.927 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.715 2.375 -8.365 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.131 0.479 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.320 -0.991 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.376 0.466 -6.270 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.050 -2.355 -6.746 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.853 -3.817 -6.961 1.00 0.00 C ATOM 1023 C ASN A 69 -1.357 -4.217 -7.087 1.00 0.00 C ATOM 1024 O ASN A 69 -0.993 -5.005 -7.964 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.731 -4.411 -8.141 1.00 0.00 C ATOM 1026 CG ASN A 69 -3.435 -3.884 -9.567 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -2.582 -4.419 -10.285 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.182 -2.897 -10.010 1.00 0.00 N ATOM 0 H ASN A 69 -3.667 -2.149 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.224 -4.284 -6.049 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.605 -5.494 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.779 -4.213 -7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.064 -2.557 -10.964 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.879 -2.471 -9.399 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.473 -3.754 -6.162 1.00 0.00 N ATOM 1036 CA PRO A 70 0.959 -3.993 -6.276 1.00 0.00 C ATOM 1037 C PRO A 70 1.364 -5.376 -5.789 1.00 0.00 C ATOM 1038 O PRO A 70 0.622 -6.051 -5.052 1.00 0.00 O ATOM 1039 CB PRO A 70 1.541 -2.946 -5.342 1.00 0.00 C ATOM 1040 CG PRO A 70 0.553 -2.877 -4.240 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.787 -3.015 -4.902 1.00 0.00 C ATOM 0 HA PRO A 70 1.300 -3.936 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.527 -3.236 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.655 -1.983 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.717 -3.673 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.630 -1.933 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.490 -3.566 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.237 -2.043 -5.107 1.00 0.00 H new ATOM 1049 N SER A 71 2.508 -5.792 -6.210 1.00 0.00 N ATOM 1050 CA SER A 71 3.076 -7.013 -5.761 1.00 0.00 C ATOM 1051 C SER A 71 4.070 -6.667 -4.634 1.00 0.00 C ATOM 1052 O SER A 71 4.603 -5.543 -4.611 1.00 0.00 O ATOM 1053 CB SER A 71 3.773 -7.656 -6.944 1.00 0.00 C ATOM 1054 OG SER A 71 2.941 -7.576 -8.104 1.00 0.00 O ATOM 0 H SER A 71 3.082 -5.286 -6.885 1.00 0.00 H new ATOM 0 HA SER A 71 2.333 -7.710 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.723 -7.156 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.000 -8.698 -6.720 1.00 0.00 H new ATOM 0 HG SER A 71 3.015 -6.682 -8.499 1.00 0.00 H new ATOM 1060 N ALA A 72 4.320 -7.603 -3.719 1.00 0.00 N ATOM 1061 CA ALA A 72 5.184 -7.360 -2.552 1.00 0.00 C ATOM 1062 C ALA A 72 6.595 -6.943 -2.971 1.00 0.00 C ATOM 1063 O ALA A 72 7.230 -6.095 -2.325 1.00 0.00 O ATOM 1064 CB ALA A 72 5.233 -8.596 -1.659 1.00 0.00 C ATOM 0 H ALA A 72 3.935 -8.547 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 72 4.752 -6.534 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.876 -8.400 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.228 -8.834 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.631 -9.438 -2.225 1.00 0.00 H new ATOM 1070 N ASP A 73 7.057 -7.520 -4.065 1.00 0.00 N ATOM 1071 CA ASP A 73 8.376 -7.211 -4.622 1.00 0.00 C ATOM 1072 C ASP A 73 8.468 -5.751 -5.043 1.00 0.00 C ATOM 1073 O ASP A 73 9.447 -5.064 -4.728 1.00 0.00 O ATOM 1074 CB ASP A 73 8.685 -8.112 -5.814 1.00 0.00 C ATOM 1075 CG ASP A 73 9.973 -7.726 -6.505 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.057 -7.963 -5.942 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.914 -7.193 -7.629 1.00 0.00 O ATOM 0 H ASP A 73 6.535 -8.216 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 73 9.112 -7.393 -3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.752 -9.147 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.863 -8.061 -6.528 1.00 0.00 H new ATOM 1082 N GLU A 74 7.420 -5.277 -5.705 1.00 0.00 N ATOM 1083 CA GLU A 74 7.350 -3.904 -6.192 1.00 0.00 C ATOM 1084 C GLU A 74 7.350 -2.952 -5.022 1.00 0.00 C ATOM 1085 O GLU A 74 8.020 -1.926 -5.049 1.00 0.00 O ATOM 1086 CB GLU A 74 6.088 -3.696 -7.010 1.00 0.00 C ATOM 1087 CG GLU A 74 5.965 -4.624 -8.192 1.00 0.00 C ATOM 1088 CD GLU A 74 4.707 -4.390 -8.958 1.00 0.00 C ATOM 1089 OE1 GLU A 74 3.639 -4.912 -8.562 1.00 0.00 O ATOM 1090 OE2 GLU A 74 4.744 -3.689 -9.974 1.00 0.00 O ATOM 0 H GLU A 74 6.593 -5.834 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 74 8.217 -3.712 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.221 -3.831 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.063 -2.666 -7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.822 -4.486 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.992 -5.657 -7.846 1.00 0.00 H new ATOM 1097 N VAL A 75 6.607 -3.324 -3.987 1.00 0.00 N ATOM 1098 CA VAL A 75 6.519 -2.551 -2.759 1.00 0.00 C ATOM 1099 C VAL A 75 7.909 -2.370 -2.153 1.00 0.00 C ATOM 1100 O VAL A 75 8.342 -1.245 -1.888 1.00 0.00 O ATOM 1101 CB VAL A 75 5.573 -3.241 -1.727 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.553 -2.492 -0.410 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.159 -3.352 -2.281 1.00 0.00 C ATOM 0 H VAL A 75 6.046 -4.176 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 75 6.102 -1.574 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 75 5.962 -4.243 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.885 -2.998 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.559 -2.464 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.200 -1.474 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.517 -3.836 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.774 -2.356 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.172 -3.944 -3.196 1.00 0.00 H new ATOM 1113 N LYS A 76 8.612 -3.479 -1.994 1.00 0.00 N ATOM 1114 CA LYS A 76 9.951 -3.483 -1.435 1.00 0.00 C ATOM 1115 C LYS A 76 10.919 -2.655 -2.294 1.00 0.00 C ATOM 1116 O LYS A 76 11.685 -1.849 -1.767 1.00 0.00 O ATOM 1117 CB LYS A 76 10.453 -4.931 -1.276 1.00 0.00 C ATOM 1118 CG LYS A 76 11.871 -5.065 -0.731 1.00 0.00 C ATOM 1119 CD LYS A 76 12.242 -6.524 -0.514 1.00 0.00 C ATOM 1120 CE LYS A 76 13.658 -6.675 0.036 1.00 0.00 C ATOM 1121 NZ LYS A 76 14.690 -6.218 -0.922 1.00 0.00 N ATOM 0 H LYS A 76 8.268 -4.404 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 76 9.912 -3.017 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.773 -5.465 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.405 -5.425 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.575 -4.608 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.954 -4.522 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.533 -6.980 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.159 -7.064 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.748 -6.105 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.837 -7.720 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.632 -6.480 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.530 -6.668 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.634 -5.185 -1.026 1.00 0.00 H new ATOM 1135 N ALA A 77 10.840 -2.827 -3.605 1.00 0.00 N ATOM 1136 CA ALA A 77 11.723 -2.129 -4.537 1.00 0.00 C ATOM 1137 C ALA A 77 11.454 -0.618 -4.549 1.00 0.00 C ATOM 1138 O ALA A 77 12.381 0.184 -4.648 1.00 0.00 O ATOM 1139 CB ALA A 77 11.590 -2.716 -5.935 1.00 0.00 C ATOM 0 H ALA A 77 10.168 -3.449 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 77 12.748 -2.272 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.254 -2.185 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.860 -3.772 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.560 -2.612 -6.277 1.00 0.00 H new ATOM 1145 N LYS A 78 10.190 -0.228 -4.447 1.00 0.00 N ATOM 1146 CA LYS A 78 9.849 1.194 -4.392 1.00 0.00 C ATOM 1147 C LYS A 78 10.327 1.784 -3.084 1.00 0.00 C ATOM 1148 O LYS A 78 10.861 2.882 -3.060 1.00 0.00 O ATOM 1149 CB LYS A 78 8.331 1.437 -4.503 1.00 0.00 C ATOM 1150 CG LYS A 78 7.673 1.137 -5.850 1.00 0.00 C ATOM 1151 CD LYS A 78 8.053 2.125 -6.961 1.00 0.00 C ATOM 1152 CE LYS A 78 7.673 3.574 -6.615 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.937 4.523 -7.735 1.00 0.00 N ATOM 0 H LYS A 78 9.393 -0.862 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 78 10.339 1.671 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.836 0.833 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.137 2.481 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.950 0.130 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.590 1.145 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.126 2.068 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.557 1.834 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.616 3.615 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.233 3.892 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.631 5.478 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.955 4.533 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.409 4.220 -8.578 1.00 0.00 H new ATOM 1167 N LEU A 79 10.144 1.033 -2.014 1.00 0.00 N ATOM 1168 CA LEU A 79 10.466 1.492 -0.676 1.00 0.00 C ATOM 1169 C LEU A 79 11.957 1.781 -0.566 1.00 0.00 C ATOM 1170 O LEU A 79 12.354 2.865 -0.134 1.00 0.00 O ATOM 1171 CB LEU A 79 10.060 0.432 0.355 1.00 0.00 C ATOM 1172 CG LEU A 79 9.500 0.937 1.695 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.070 -0.224 2.550 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.490 1.812 2.449 1.00 0.00 C ATOM 0 H LEU A 79 9.767 0.086 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 79 9.913 2.410 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.312 -0.215 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.932 -0.188 0.565 1.00 0.00 H new ATOM 0 HG LEU A 79 8.635 1.560 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.675 0.147 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.297 -0.791 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.926 -0.871 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.044 2.141 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.395 1.241 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.742 2.682 1.842 1.00 0.00 H new ATOM 1186 N VAL A 80 12.769 0.835 -0.997 1.00 0.00 N ATOM 1187 CA VAL A 80 14.215 0.979 -0.907 1.00 0.00 C ATOM 1188 C VAL A 80 14.734 2.158 -1.714 1.00 0.00 C ATOM 1189 O VAL A 80 15.646 2.851 -1.278 1.00 0.00 O ATOM 1190 CB VAL A 80 14.991 -0.322 -1.255 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.727 -1.401 -0.229 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.635 -0.819 -2.630 1.00 0.00 C ATOM 0 H VAL A 80 12.456 -0.042 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 80 14.411 1.186 0.145 1.00 0.00 H new ATOM 0 HB VAL A 80 16.054 -0.081 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.282 -2.301 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.048 -1.055 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.661 -1.626 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.194 -1.730 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.567 -1.030 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.886 -0.058 -3.368 1.00 0.00 H new ATOM 1202 N LYS A 81 14.124 2.417 -2.856 1.00 0.00 N ATOM 1203 CA LYS A 81 14.578 3.501 -3.675 1.00 0.00 C ATOM 1204 C LYS A 81 14.035 4.849 -3.185 1.00 0.00 C ATOM 1205 O LYS A 81 14.705 5.861 -3.308 1.00 0.00 O ATOM 1206 CB LYS A 81 14.287 3.268 -5.163 1.00 0.00 C ATOM 1207 CG LYS A 81 12.849 3.412 -5.579 1.00 0.00 C ATOM 1208 CD LYS A 81 12.646 3.200 -7.096 1.00 0.00 C ATOM 1209 CE LYS A 81 13.261 4.302 -7.992 1.00 0.00 C ATOM 1210 NZ LYS A 81 14.744 4.304 -8.045 1.00 0.00 N ATOM 0 H LYS A 81 13.328 1.896 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 81 15.663 3.538 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.886 3.969 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.623 2.265 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.242 2.692 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.492 4.404 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.079 2.240 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.577 3.139 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.875 4.185 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.923 5.274 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.056 4.501 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.113 5.038 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.103 3.374 -7.748 1.00 0.00 H new ATOM 1224 N ILE A 82 12.833 4.870 -2.593 1.00 0.00 N ATOM 1225 CA ILE A 82 12.299 6.142 -2.113 1.00 0.00 C ATOM 1226 C ILE A 82 12.987 6.588 -0.840 1.00 0.00 C ATOM 1227 O ILE A 82 13.020 7.771 -0.518 1.00 0.00 O ATOM 1228 CB ILE A 82 10.723 6.228 -2.017 1.00 0.00 C ATOM 1229 CG1 ILE A 82 10.064 5.162 -1.097 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.108 6.176 -3.402 1.00 0.00 C ATOM 1231 CD1 ILE A 82 10.246 5.369 0.400 1.00 0.00 C ATOM 0 H ILE A 82 12.237 4.056 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 82 12.541 6.858 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 82 10.516 7.188 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.996 5.135 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.467 4.184 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.023 6.236 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.474 7.014 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.384 5.240 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.745 4.567 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.309 5.362 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.815 6.327 0.690 1.00 0.00 H new ATOM 1243 N ALA A 83 13.579 5.638 -0.151 1.00 0.00 N ATOM 1244 CA ALA A 83 14.346 5.900 1.048 1.00 0.00 C ATOM 1245 C ALA A 83 15.786 6.258 0.671 1.00 0.00 C ATOM 1246 O ALA A 83 16.662 6.412 1.537 1.00 0.00 O ATOM 1247 CB ALA A 83 14.313 4.685 1.963 1.00 0.00 C ATOM 0 H ALA A 83 13.542 4.652 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 83 13.907 6.742 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.893 4.891 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.282 4.465 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.741 3.827 1.444 1.00 0.00 H new