USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 154:sc= 1.22 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 34:sc= 0.222 USER MOD Single : A 9 SER OG : rot 180:sc= -0.11 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 15 TYR OH : rot -148:sc= 1.3 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.012) USER MOD Single : A 29 SER OG : rot 79:sc= 1.06 USER MOD Single : A 30 MET CE :methyl -163:sc= -2.71 (180deg=-4.04!) USER MOD Single : A 51 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 12.023 -7.038 -7.303 1.00 0.00 N ATOM 89 CA SER A 7 12.845 -7.450 -6.201 1.00 0.00 C ATOM 90 C SER A 7 12.082 -8.389 -5.279 1.00 0.00 C ATOM 91 O SER A 7 12.387 -9.580 -5.196 1.00 0.00 O ATOM 92 CB SER A 7 13.288 -6.205 -5.449 1.00 0.00 C ATOM 93 OG SER A 7 13.890 -5.274 -6.331 1.00 0.00 O ATOM 0 HA SER A 7 13.715 -7.993 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.430 -5.746 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.994 -6.480 -4.665 1.00 0.00 H new ATOM 0 HG SER A 7 13.452 -5.323 -7.207 1.00 0.00 H new ATOM 99 N ARG A 8 11.076 -7.853 -4.603 1.00 0.00 N ATOM 100 CA ARG A 8 10.309 -8.618 -3.643 1.00 0.00 C ATOM 101 C ARG A 8 8.828 -8.330 -3.786 1.00 0.00 C ATOM 102 O ARG A 8 8.414 -7.462 -4.553 1.00 0.00 O ATOM 103 CB ARG A 8 10.738 -8.271 -2.217 1.00 0.00 C ATOM 104 CG ARG A 8 12.137 -8.730 -1.859 1.00 0.00 C ATOM 105 CD ARG A 8 12.237 -10.244 -1.816 1.00 0.00 C ATOM 106 NE ARG A 8 13.574 -10.683 -1.432 1.00 0.00 N ATOM 107 CZ ARG A 8 13.892 -11.936 -1.128 1.00 0.00 C ATOM 108 NH1 ARG A 8 12.978 -12.897 -1.193 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.134 -12.228 -0.766 1.00 0.00 N ATOM 0 H ARG A 8 10.774 -6.884 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 8 10.495 -9.674 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.677 -7.191 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.031 -8.718 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.846 -8.339 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.418 -8.319 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.507 -10.637 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.986 -10.654 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 8 14.313 -9.981 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.024 -12.675 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.230 -13.857 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.839 -11.492 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.384 -13.189 -0.531 1.00 0.00 H new ATOM 123 N SER A 9 8.040 -9.059 -3.034 1.00 0.00 N ATOM 124 CA SER A 9 6.623 -8.786 -2.935 1.00 0.00 C ATOM 125 C SER A 9 6.303 -8.328 -1.522 1.00 0.00 C ATOM 126 O SER A 9 6.773 -8.919 -0.547 1.00 0.00 O ATOM 127 CB SER A 9 5.811 -10.024 -3.305 1.00 0.00 C ATOM 128 OG SER A 9 6.116 -10.453 -4.619 1.00 0.00 O ATOM 0 H SER A 9 8.357 -9.852 -2.477 1.00 0.00 H new ATOM 0 HA SER A 9 6.355 -7.995 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.021 -10.827 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.747 -9.802 -3.228 1.00 0.00 H new ATOM 0 HG SER A 9 5.586 -11.248 -4.835 1.00 0.00 H new ATOM 134 N TYR A 10 5.538 -7.261 -1.414 1.00 0.00 N ATOM 135 CA TYR A 10 5.211 -6.700 -0.120 1.00 0.00 C ATOM 136 C TYR A 10 3.735 -6.906 0.172 1.00 0.00 C ATOM 137 O TYR A 10 2.880 -6.544 -0.633 1.00 0.00 O ATOM 138 CB TYR A 10 5.541 -5.205 -0.072 1.00 0.00 C ATOM 139 CG TYR A 10 6.967 -4.867 -0.449 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.023 -5.178 0.398 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.255 -4.232 -1.651 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.326 -4.867 0.058 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.556 -3.915 -1.997 1.00 0.00 C ATOM 144 CZ TYR A 10 9.588 -4.236 -1.140 1.00 0.00 C ATOM 145 OH TYR A 10 10.884 -3.919 -1.480 1.00 0.00 O ATOM 0 H TYR A 10 5.131 -6.765 -2.207 1.00 0.00 H new ATOM 0 HA TYR A 10 5.809 -7.210 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.865 -4.675 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.347 -4.835 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.823 -5.671 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.450 -3.982 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.136 -5.117 0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.763 -3.419 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 10 10.894 -3.479 -2.356 1.00 0.00 H new ATOM 155 N ARG A 11 3.440 -7.485 1.318 1.00 0.00 N ATOM 156 CA ARG A 11 2.068 -7.749 1.709 1.00 0.00 C ATOM 157 C ARG A 11 1.560 -6.665 2.643 1.00 0.00 C ATOM 158 O ARG A 11 2.324 -6.076 3.410 1.00 0.00 O ATOM 159 CB ARG A 11 1.947 -9.124 2.373 1.00 0.00 C ATOM 160 CG ARG A 11 3.012 -9.393 3.427 1.00 0.00 C ATOM 161 CD ARG A 11 2.862 -10.775 4.033 1.00 0.00 C ATOM 162 NE ARG A 11 3.949 -11.095 4.960 1.00 0.00 N ATOM 163 CZ ARG A 11 3.759 -11.640 6.160 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.525 -11.772 6.632 1.00 0.00 N ATOM 165 NH2 ARG A 11 4.803 -12.009 6.901 1.00 0.00 N ATOM 0 H ARG A 11 4.137 -7.784 2.000 1.00 0.00 H new ATOM 0 HA ARG A 11 1.453 -7.747 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.963 -9.209 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.007 -9.895 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.001 -9.297 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.945 -8.641 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.909 -10.838 4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.836 -11.518 3.236 1.00 0.00 H new ATOM 0 HE ARG A 11 4.905 -10.889 4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.730 -11.457 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.372 -12.189 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.751 -11.874 6.549 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.654 -12.426 7.820 1.00 0.00 H new ATOM 179 N ILE A 12 0.267 -6.410 2.575 1.00 0.00 N ATOM 180 CA ILE A 12 -0.347 -5.373 3.387 1.00 0.00 C ATOM 181 C ILE A 12 -0.818 -5.959 4.712 1.00 0.00 C ATOM 182 O ILE A 12 -1.665 -6.853 4.733 1.00 0.00 O ATOM 183 CB ILE A 12 -1.563 -4.731 2.677 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.221 -4.385 1.227 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.022 -3.486 3.434 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.383 -3.816 0.443 1.00 0.00 C ATOM 0 H ILE A 12 -0.381 -6.908 1.964 1.00 0.00 H new ATOM 0 HA ILE A 12 0.409 -4.605 3.553 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.380 -5.453 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.402 -3.665 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.861 -5.283 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.878 -3.045 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.308 -3.762 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.208 -2.762 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.062 -3.596 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.196 -4.542 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.730 -2.899 0.920 1.00 0.00 H new ATOM 198 N THR A 13 -0.270 -5.463 5.810 1.00 0.00 N ATOM 199 CA THR A 13 -0.664 -5.929 7.132 1.00 0.00 C ATOM 200 C THR A 13 -1.809 -5.091 7.695 1.00 0.00 C ATOM 201 O THR A 13 -2.428 -5.455 8.694 1.00 0.00 O ATOM 202 CB THR A 13 0.527 -5.907 8.102 1.00 0.00 C ATOM 203 OG1 THR A 13 1.333 -4.747 7.862 1.00 0.00 O ATOM 204 CG2 THR A 13 1.370 -7.161 7.946 1.00 0.00 C ATOM 0 H THR A 13 0.448 -4.739 5.813 1.00 0.00 H new ATOM 0 HA THR A 13 -1.008 -6.958 7.025 1.00 0.00 H new ATOM 0 HB THR A 13 0.140 -5.873 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.089 -4.739 8.485 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.208 -7.125 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.759 -8.039 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.748 -7.220 6.926 1.00 0.00 H new ATOM 212 N GLY A 14 -2.084 -3.962 7.049 1.00 0.00 N ATOM 213 CA GLY A 14 -3.194 -3.131 7.455 1.00 0.00 C ATOM 214 C GLY A 14 -2.971 -1.681 7.101 1.00 0.00 C ATOM 215 O GLY A 14 -2.097 -1.361 6.297 1.00 0.00 O ATOM 0 H GLY A 14 -1.555 -3.611 6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.107 -3.485 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.342 -3.223 8.531 1.00 0.00 H new ATOM 219 N TYR A 15 -3.762 -0.807 7.692 1.00 0.00 N ATOM 220 CA TYR A 15 -3.606 0.621 7.477 1.00 0.00 C ATOM 221 C TYR A 15 -2.804 1.216 8.618 1.00 0.00 C ATOM 222 O TYR A 15 -2.842 0.706 9.740 1.00 0.00 O ATOM 223 CB TYR A 15 -4.966 1.323 7.401 1.00 0.00 C ATOM 224 CG TYR A 15 -5.933 0.721 6.402 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.770 -0.326 6.766 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.015 1.204 5.102 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.659 -0.877 5.863 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.903 0.659 4.192 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.722 -0.382 4.578 1.00 0.00 C ATOM 230 OH TYR A 15 -8.609 -0.926 3.679 1.00 0.00 O ATOM 0 H TYR A 15 -4.520 -1.060 8.326 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.087 0.769 6.530 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.426 1.303 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.805 2.370 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.725 -0.716 7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.375 2.019 4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.302 -1.692 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.955 1.046 3.185 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.232 -0.876 2.776 1.00 0.00 H new ATOM 240 N SER A 16 -2.082 2.282 8.341 1.00 0.00 N ATOM 241 CA SER A 16 -1.328 2.969 9.362 1.00 0.00 C ATOM 242 C SER A 16 -2.280 3.646 10.348 1.00 0.00 C ATOM 243 O SER A 16 -3.302 4.199 9.948 1.00 0.00 O ATOM 244 CB SER A 16 -0.415 3.992 8.701 1.00 0.00 C ATOM 245 OG SER A 16 0.399 3.375 7.717 1.00 0.00 O ATOM 0 H SER A 16 -2.003 2.691 7.410 1.00 0.00 H new ATOM 0 HA SER A 16 -0.719 2.255 9.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.014 4.779 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.213 4.467 9.455 1.00 0.00 H new ATOM 0 HG SER A 16 0.650 4.036 7.039 1.00 0.00 H new ATOM 251 N PRO A 17 -1.955 3.616 11.650 1.00 0.00 N ATOM 252 CA PRO A 17 -2.827 4.151 12.707 1.00 0.00 C ATOM 253 C PRO A 17 -3.039 5.664 12.612 1.00 0.00 C ATOM 254 O PRO A 17 -3.762 6.248 13.419 1.00 0.00 O ATOM 255 CB PRO A 17 -2.086 3.803 14.007 1.00 0.00 C ATOM 256 CG PRO A 17 -1.090 2.759 13.626 1.00 0.00 C ATOM 257 CD PRO A 17 -0.718 3.047 12.202 1.00 0.00 C ATOM 0 HA PRO A 17 -3.828 3.725 12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.595 4.681 14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.775 3.431 14.765 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.215 2.799 14.274 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.514 1.760 13.725 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.114 3.748 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.417 2.143 11.672 1.00 0.00 H new ATOM 265 N ALA A 18 -2.414 6.294 11.628 1.00 0.00 N ATOM 266 CA ALA A 18 -2.528 7.734 11.440 1.00 0.00 C ATOM 267 C ALA A 18 -3.432 8.059 10.252 1.00 0.00 C ATOM 268 O ALA A 18 -3.412 9.177 9.728 1.00 0.00 O ATOM 269 CB ALA A 18 -1.149 8.343 11.238 1.00 0.00 C ATOM 0 H ALA A 18 -1.819 5.828 10.943 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.978 8.164 12.335 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.244 9.420 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.531 8.144 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.682 7.902 10.357 1.00 0.00 H new ATOM 275 N ILE A 19 -4.221 7.076 9.831 1.00 0.00 N ATOM 276 CA ILE A 19 -5.124 7.249 8.701 1.00 0.00 C ATOM 277 C ILE A 19 -6.515 7.669 9.182 1.00 0.00 C ATOM 278 O ILE A 19 -6.866 7.472 10.348 1.00 0.00 O ATOM 279 CB ILE A 19 -5.235 5.947 7.866 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.881 6.228 6.505 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.033 4.888 8.624 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.002 5.001 5.629 1.00 0.00 C ATOM 0 H ILE A 19 -4.253 6.150 10.257 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.710 8.034 8.068 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.228 5.566 7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.873 6.651 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.293 6.982 5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.100 3.982 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.534 4.661 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.036 5.264 8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.468 5.274 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.010 4.590 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.615 4.254 6.132 1.00 0.00 H new ATOM 294 N SER A 20 -7.299 8.253 8.283 1.00 0.00 N ATOM 295 CA SER A 20 -8.662 8.647 8.592 1.00 0.00 C ATOM 296 C SER A 20 -9.648 7.569 8.146 1.00 0.00 C ATOM 297 O SER A 20 -9.398 6.855 7.170 1.00 0.00 O ATOM 298 CB SER A 20 -8.986 9.975 7.907 1.00 0.00 C ATOM 299 OG SER A 20 -8.037 10.970 8.255 1.00 0.00 O ATOM 0 H SER A 20 -7.008 8.464 7.328 1.00 0.00 H new ATOM 0 HA SER A 20 -8.754 8.770 9.671 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.995 9.838 6.826 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.985 10.303 8.195 1.00 0.00 H new ATOM 0 HG SER A 20 -8.263 11.810 7.804 1.00 0.00 H new ATOM 305 N ASN A 21 -10.767 7.465 8.858 1.00 0.00 N ATOM 306 CA ASN A 21 -11.788 6.454 8.572 1.00 0.00 C ATOM 307 C ASN A 21 -12.325 6.592 7.154 1.00 0.00 C ATOM 308 O ASN A 21 -12.404 5.610 6.415 1.00 0.00 O ATOM 309 CB ASN A 21 -12.948 6.559 9.564 1.00 0.00 C ATOM 310 CG ASN A 21 -12.602 6.051 10.949 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.448 6.081 11.375 1.00 0.00 O ATOM 312 ND2 ASN A 21 -13.611 5.588 11.667 1.00 0.00 N ATOM 0 H ASN A 21 -10.993 8.073 9.645 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.312 5.478 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.263 7.600 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.798 5.995 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.447 5.238 12.611 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.553 5.580 11.277 1.00 0.00 H new ATOM 319 N GLY A 22 -12.688 7.813 6.777 1.00 0.00 N ATOM 320 CA GLY A 22 -13.226 8.056 5.451 1.00 0.00 C ATOM 321 C GLY A 22 -12.256 7.666 4.353 1.00 0.00 C ATOM 322 O GLY A 22 -12.652 7.141 3.311 1.00 0.00 O ATOM 0 H GLY A 22 -12.619 8.641 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.153 7.495 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.477 9.112 5.352 1.00 0.00 H new ATOM 326 N TYR A 23 -10.975 7.907 4.594 1.00 0.00 N ATOM 327 CA TYR A 23 -9.946 7.570 3.625 1.00 0.00 C ATOM 328 C TYR A 23 -9.764 6.061 3.571 1.00 0.00 C ATOM 329 O TYR A 23 -9.603 5.490 2.498 1.00 0.00 O ATOM 330 CB TYR A 23 -8.624 8.252 3.987 1.00 0.00 C ATOM 331 CG TYR A 23 -7.822 8.719 2.788 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.672 7.916 1.661 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.204 9.965 2.791 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.934 8.346 0.573 1.00 0.00 C ATOM 335 CE2 TYR A 23 -6.466 10.398 1.706 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.333 9.586 0.603 1.00 0.00 C ATOM 337 OH TYR A 23 -5.598 10.015 -0.476 1.00 0.00 O ATOM 0 H TYR A 23 -10.625 8.334 5.452 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.257 7.926 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.833 9.109 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.017 7.559 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.139 6.942 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.303 10.605 3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.829 7.713 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.995 11.370 1.724 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.243 10.910 -0.295 1.00 0.00 H new ATOM 347 N ARG A 24 -9.810 5.426 4.735 1.00 0.00 N ATOM 348 CA ARG A 24 -9.740 3.974 4.836 1.00 0.00 C ATOM 349 C ARG A 24 -10.850 3.333 4.021 1.00 0.00 C ATOM 350 O ARG A 24 -10.626 2.378 3.279 1.00 0.00 O ATOM 351 CB ARG A 24 -9.886 3.562 6.300 1.00 0.00 C ATOM 352 CG ARG A 24 -9.793 2.067 6.530 1.00 0.00 C ATOM 353 CD ARG A 24 -10.337 1.681 7.895 1.00 0.00 C ATOM 354 NE ARG A 24 -10.016 0.299 8.240 1.00 0.00 N ATOM 355 CZ ARG A 24 -10.767 -0.752 7.930 1.00 0.00 C ATOM 356 NH1 ARG A 24 -11.917 -0.594 7.280 1.00 0.00 N ATOM 357 NH2 ARG A 24 -10.367 -1.963 8.290 1.00 0.00 N ATOM 0 H ARG A 24 -9.897 5.901 5.633 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.778 3.639 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.112 4.059 6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.846 3.918 6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.350 1.543 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.754 1.749 6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.925 2.349 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.419 1.816 7.906 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.153 0.128 8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.229 0.340 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.487 -1.407 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.491 -2.080 8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.935 -2.778 8.058 1.00 0.00 H new ATOM 371 N GLN A 25 -12.045 3.882 4.159 1.00 0.00 N ATOM 372 CA GLN A 25 -13.210 3.394 3.449 1.00 0.00 C ATOM 373 C GLN A 25 -13.018 3.542 1.952 1.00 0.00 C ATOM 374 O GLN A 25 -13.327 2.637 1.171 1.00 0.00 O ATOM 375 CB GLN A 25 -14.432 4.179 3.905 1.00 0.00 C ATOM 376 CG GLN A 25 -15.725 3.781 3.223 1.00 0.00 C ATOM 377 CD GLN A 25 -16.901 4.582 3.736 1.00 0.00 C ATOM 378 OE1 GLN A 25 -17.851 4.858 3.004 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.849 4.960 5.004 1.00 0.00 N ATOM 0 H GLN A 25 -12.233 4.679 4.767 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.352 2.336 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.549 4.051 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.254 5.240 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.628 3.926 2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.910 2.719 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.043 4.711 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.615 5.500 5.407 1.00 0.00 H new ATOM 388 N ARG A 26 -12.495 4.691 1.571 1.00 0.00 N ATOM 389 CA ARG A 26 -12.195 4.983 0.184 1.00 0.00 C ATOM 390 C ARG A 26 -11.155 4.004 -0.350 1.00 0.00 C ATOM 391 O ARG A 26 -11.294 3.481 -1.453 1.00 0.00 O ATOM 392 CB ARG A 26 -11.700 6.425 0.067 1.00 0.00 C ATOM 393 CG ARG A 26 -11.544 6.928 -1.358 1.00 0.00 C ATOM 394 CD ARG A 26 -11.458 8.444 -1.383 1.00 0.00 C ATOM 395 NE ARG A 26 -12.655 9.047 -0.799 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.642 9.934 0.196 1.00 0.00 C ATOM 397 NH1 ARG A 26 -11.489 10.445 0.622 1.00 0.00 N ATOM 398 NH2 ARG A 26 -13.784 10.337 0.741 1.00 0.00 N ATOM 0 H ARG A 26 -12.266 5.448 2.215 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.098 4.871 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.396 7.078 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.739 6.507 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.646 6.500 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.389 6.596 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.576 8.771 -0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.338 8.788 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.561 8.771 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.612 10.158 0.187 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.482 11.124 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.671 9.968 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.774 11.016 1.502 1.00 0.00 H new ATOM 412 N LEU A 27 -10.142 3.729 0.459 1.00 0.00 N ATOM 413 CA LEU A 27 -9.069 2.821 0.066 1.00 0.00 C ATOM 414 C LEU A 27 -9.605 1.405 -0.088 1.00 0.00 C ATOM 415 O LEU A 27 -9.312 0.719 -1.069 1.00 0.00 O ATOM 416 CB LEU A 27 -7.933 2.841 1.096 1.00 0.00 C ATOM 417 CG LEU A 27 -7.172 4.164 1.221 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.065 4.042 2.252 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.600 4.586 -0.123 1.00 0.00 C ATOM 0 H LEU A 27 -10.039 4.122 1.395 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.673 3.158 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.348 2.588 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.221 2.057 0.839 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.873 4.931 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.533 4.990 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.496 3.788 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.369 3.260 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.064 5.528 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.915 3.819 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.411 4.714 -0.840 1.00 0.00 H new ATOM 431 N PHE A 28 -10.415 0.992 0.875 1.00 0.00 N ATOM 432 CA PHE A 28 -11.009 -0.341 0.876 1.00 0.00 C ATOM 433 C PHE A 28 -11.875 -0.532 -0.362 1.00 0.00 C ATOM 434 O PHE A 28 -11.806 -1.560 -1.039 1.00 0.00 O ATOM 435 CB PHE A 28 -11.858 -0.523 2.136 1.00 0.00 C ATOM 436 CG PHE A 28 -12.259 -1.947 2.406 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.373 -2.827 3.007 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.524 -2.405 2.065 1.00 0.00 C ATOM 439 CE1 PHE A 28 -11.737 -4.136 3.262 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.893 -3.713 2.319 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.998 -4.580 2.917 1.00 0.00 C ATOM 0 H PHE A 28 -10.680 1.566 1.675 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.212 -1.085 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.302 -0.145 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.758 0.086 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.385 -2.486 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.227 -1.733 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.036 -4.811 3.731 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.881 -4.057 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.284 -5.603 3.114 1.00 0.00 H new ATOM 451 N SER A 29 -12.670 0.486 -0.653 1.00 0.00 N ATOM 452 CA SER A 29 -13.574 0.469 -1.795 1.00 0.00 C ATOM 453 C SER A 29 -12.808 0.483 -3.115 1.00 0.00 C ATOM 454 O SER A 29 -13.286 -0.025 -4.132 1.00 0.00 O ATOM 455 CB SER A 29 -14.502 1.678 -1.730 1.00 0.00 C ATOM 456 OG SER A 29 -15.281 1.666 -0.542 1.00 0.00 O ATOM 0 H SER A 29 -12.708 1.346 -0.106 1.00 0.00 H new ATOM 0 HA SER A 29 -14.156 -0.452 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.913 2.594 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.160 1.682 -2.599 1.00 0.00 H new ATOM 0 HG SER A 29 -14.739 1.989 0.208 1.00 0.00 H new ATOM 462 N MET A 30 -11.626 1.081 -3.095 1.00 0.00 N ATOM 463 CA MET A 30 -10.792 1.172 -4.288 1.00 0.00 C ATOM 464 C MET A 30 -9.982 -0.102 -4.510 1.00 0.00 C ATOM 465 O MET A 30 -9.503 -0.347 -5.616 1.00 0.00 O ATOM 466 CB MET A 30 -9.862 2.385 -4.211 1.00 0.00 C ATOM 467 CG MET A 30 -10.574 3.707 -4.449 1.00 0.00 C ATOM 468 SD MET A 30 -9.440 5.107 -4.566 1.00 0.00 S ATOM 469 CE MET A 30 -8.664 5.052 -2.953 1.00 0.00 C ATOM 0 H MET A 30 -11.221 1.512 -2.264 1.00 0.00 H new ATOM 0 HA MET A 30 -11.460 1.295 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.387 2.408 -3.230 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.067 2.271 -4.948 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.156 3.640 -5.368 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.280 3.885 -3.637 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.173 6.004 -2.753 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.421 4.867 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.925 4.251 -2.932 1.00 0.00 H new ATOM 479 N GLY A 31 -9.827 -0.908 -3.465 1.00 0.00 N ATOM 480 CA GLY A 31 -9.148 -2.183 -3.621 1.00 0.00 C ATOM 481 C GLY A 31 -7.897 -2.311 -2.773 1.00 0.00 C ATOM 482 O GLY A 31 -7.102 -3.232 -2.967 1.00 0.00 O ATOM 0 H GLY A 31 -10.156 -0.705 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.837 -2.987 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.882 -2.318 -4.669 1.00 0.00 H new ATOM 486 N LEU A 32 -7.715 -1.394 -1.837 1.00 0.00 N ATOM 487 CA LEU A 32 -6.572 -1.446 -0.939 1.00 0.00 C ATOM 488 C LEU A 32 -7.012 -1.972 0.421 1.00 0.00 C ATOM 489 O LEU A 32 -7.548 -1.230 1.242 1.00 0.00 O ATOM 490 CB LEU A 32 -5.929 -0.062 -0.794 1.00 0.00 C ATOM 491 CG LEU A 32 -5.390 0.548 -2.091 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.844 1.941 -1.833 1.00 0.00 C ATOM 493 CD2 LEU A 32 -4.314 -0.340 -2.693 1.00 0.00 C ATOM 0 H LEU A 32 -8.343 -0.606 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.827 -2.121 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.666 0.620 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.111 -0.133 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.212 0.623 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.465 2.361 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.639 2.577 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.036 1.886 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.944 0.110 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.492 -0.447 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.733 -1.322 -2.913 1.00 0.00 H new ATOM 505 N LEU A 33 -6.809 -3.264 0.642 1.00 0.00 N ATOM 506 CA LEU A 33 -7.255 -3.906 1.862 1.00 0.00 C ATOM 507 C LEU A 33 -6.136 -4.738 2.479 1.00 0.00 C ATOM 508 O LEU A 33 -5.245 -5.220 1.772 1.00 0.00 O ATOM 509 CB LEU A 33 -8.474 -4.795 1.582 1.00 0.00 C ATOM 510 CG LEU A 33 -8.236 -5.994 0.653 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.309 -7.048 0.869 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.227 -5.564 -0.806 1.00 0.00 C ATOM 0 H LEU A 33 -6.336 -3.886 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.537 -3.127 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.852 -5.168 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.258 -4.175 1.148 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.261 -6.416 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.128 -7.893 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.281 -7.389 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.288 -6.620 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.056 -6.434 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.187 -5.113 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.431 -4.836 -0.966 1.00 0.00 H new ATOM 524 N PRO A 34 -6.162 -4.910 3.811 1.00 0.00 N ATOM 525 CA PRO A 34 -5.186 -5.737 4.521 1.00 0.00 C ATOM 526 C PRO A 34 -5.285 -7.202 4.113 1.00 0.00 C ATOM 527 O PRO A 34 -6.383 -7.752 3.996 1.00 0.00 O ATOM 528 CB PRO A 34 -5.563 -5.571 5.999 1.00 0.00 C ATOM 529 CG PRO A 34 -6.435 -4.365 6.053 1.00 0.00 C ATOM 530 CD PRO A 34 -7.142 -4.310 4.729 1.00 0.00 C ATOM 0 HA PRO A 34 -4.162 -5.436 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.087 -6.451 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.676 -5.442 6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.148 -4.435 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.845 -3.463 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.076 -4.871 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.389 -3.287 4.445 1.00 0.00 H new ATOM 538 N GLY A 35 -4.138 -7.826 3.896 1.00 0.00 N ATOM 539 CA GLY A 35 -4.115 -9.212 3.481 1.00 0.00 C ATOM 540 C GLY A 35 -3.685 -9.375 2.041 1.00 0.00 C ATOM 541 O GLY A 35 -3.359 -10.480 1.605 1.00 0.00 O ATOM 0 H GLY A 35 -3.219 -7.395 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.436 -9.770 4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.107 -9.644 3.612 1.00 0.00 H new ATOM 545 N ALA A 36 -3.684 -8.277 1.294 1.00 0.00 N ATOM 546 CA ALA A 36 -3.259 -8.305 -0.084 1.00 0.00 C ATOM 547 C ALA A 36 -1.748 -8.191 -0.166 1.00 0.00 C ATOM 548 O ALA A 36 -1.063 -8.091 0.853 1.00 0.00 O ATOM 549 CB ALA A 36 -3.930 -7.187 -0.870 1.00 0.00 C ATOM 0 H ALA A 36 -3.975 -7.358 1.628 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.558 -9.256 -0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.599 -7.222 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.012 -7.313 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.661 -6.224 -0.436 1.00 0.00 H new ATOM 555 N ALA A 37 -1.246 -8.199 -1.377 1.00 0.00 N ATOM 556 CA ALA A 37 0.186 -8.170 -1.622 1.00 0.00 C ATOM 557 C ALA A 37 0.498 -7.488 -2.947 1.00 0.00 C ATOM 558 O ALA A 37 -0.207 -7.677 -3.940 1.00 0.00 O ATOM 559 CB ALA A 37 0.756 -9.582 -1.603 1.00 0.00 C ATOM 0 H ALA A 37 -1.814 -8.226 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 37 0.656 -7.593 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.829 -9.544 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.572 -10.036 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.275 -10.179 -2.378 1.00 0.00 H new ATOM 565 N LEU A 38 1.537 -6.674 -2.946 1.00 0.00 N ATOM 566 CA LEU A 38 1.989 -6.004 -4.149 1.00 0.00 C ATOM 567 C LEU A 38 3.314 -6.596 -4.598 1.00 0.00 C ATOM 568 O LEU A 38 4.267 -6.673 -3.821 1.00 0.00 O ATOM 569 CB LEU A 38 2.177 -4.499 -3.923 1.00 0.00 C ATOM 570 CG LEU A 38 0.992 -3.725 -3.327 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.304 -4.067 -4.046 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.871 -3.970 -1.828 1.00 0.00 C ATOM 0 H LEU A 38 2.089 -6.460 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 38 1.225 -6.149 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.036 -4.361 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.431 -4.043 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 38 1.183 -2.662 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.125 -3.504 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.214 -3.808 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.502 -5.135 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.023 -3.409 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.719 -5.034 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.784 -3.643 -1.331 1.00 0.00 H new ATOM 584 N ARG A 39 3.374 -7.005 -5.846 1.00 0.00 N ATOM 585 CA ARG A 39 4.602 -7.527 -6.418 1.00 0.00 C ATOM 586 C ARG A 39 5.324 -6.385 -7.115 1.00 0.00 C ATOM 587 O ARG A 39 4.808 -5.820 -8.080 1.00 0.00 O ATOM 588 CB ARG A 39 4.292 -8.668 -7.391 1.00 0.00 C ATOM 589 CG ARG A 39 5.516 -9.447 -7.846 1.00 0.00 C ATOM 590 CD ARG A 39 5.122 -10.682 -8.643 1.00 0.00 C ATOM 591 NE ARG A 39 4.245 -11.576 -7.876 1.00 0.00 N ATOM 592 CZ ARG A 39 4.142 -12.890 -8.086 1.00 0.00 C ATOM 593 NH1 ARG A 39 4.877 -13.482 -9.020 1.00 0.00 N ATOM 594 NH2 ARG A 39 3.302 -13.614 -7.356 1.00 0.00 N ATOM 0 H ARG A 39 2.583 -6.987 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 39 5.242 -7.935 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.593 -9.356 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.790 -8.258 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.152 -8.805 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.104 -9.744 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.616 -10.376 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.020 -11.223 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 39 3.677 -11.166 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.526 -12.932 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.793 -14.487 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.736 -13.166 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.223 -14.618 -7.516 1.00 0.00 H new ATOM 608 N VAL A 40 6.495 -6.019 -6.609 1.00 0.00 N ATOM 609 CA VAL A 40 7.153 -4.806 -7.064 1.00 0.00 C ATOM 610 C VAL A 40 7.665 -4.940 -8.496 1.00 0.00 C ATOM 611 O VAL A 40 8.288 -5.936 -8.872 1.00 0.00 O ATOM 612 CB VAL A 40 8.300 -4.359 -6.121 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.537 -5.226 -6.284 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.631 -2.895 -6.352 1.00 0.00 C ATOM 0 H VAL A 40 7.002 -6.539 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 40 6.390 -4.028 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 40 7.954 -4.483 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.316 -4.879 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.289 -6.262 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.895 -5.160 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.438 -2.594 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.944 -2.752 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.749 -2.287 -6.152 1.00 0.00 H new ATOM 624 N VAL A 41 7.346 -3.936 -9.291 1.00 0.00 N ATOM 625 CA VAL A 41 7.778 -3.860 -10.671 1.00 0.00 C ATOM 626 C VAL A 41 8.917 -2.850 -10.827 1.00 0.00 C ATOM 627 O VAL A 41 9.834 -3.066 -11.617 1.00 0.00 O ATOM 628 CB VAL A 41 6.610 -3.461 -11.601 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.037 -3.500 -13.063 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.409 -4.363 -11.366 1.00 0.00 C ATOM 0 H VAL A 41 6.775 -3.145 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 41 8.132 -4.851 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 41 6.323 -2.437 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.196 -3.215 -13.695 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.861 -2.804 -13.220 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.359 -4.509 -13.321 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.596 -4.067 -12.030 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.686 -5.397 -11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.083 -4.272 -10.330 1.00 0.00 H new ATOM 640 N ARG A 42 8.861 -1.746 -10.078 1.00 0.00 N ATOM 641 CA ARG A 42 9.877 -0.705 -10.203 1.00 0.00 C ATOM 642 C ARG A 42 9.791 0.319 -9.069 1.00 0.00 C ATOM 643 O ARG A 42 8.704 0.698 -8.646 1.00 0.00 O ATOM 644 CB ARG A 42 9.689 0.027 -11.535 1.00 0.00 C ATOM 645 CG ARG A 42 10.873 0.883 -11.945 1.00 0.00 C ATOM 646 CD ARG A 42 10.430 2.095 -12.748 1.00 0.00 C ATOM 647 NE ARG A 42 9.364 1.776 -13.700 1.00 0.00 N ATOM 648 CZ ARG A 42 8.347 2.597 -13.973 1.00 0.00 C ATOM 649 NH1 ARG A 42 8.296 3.805 -13.421 1.00 0.00 N ATOM 650 NH2 ARG A 42 7.390 2.221 -14.808 1.00 0.00 N ATOM 0 H ARG A 42 8.134 -1.554 -9.389 1.00 0.00 H new ATOM 0 HA ARG A 42 10.852 -1.189 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.498 -0.708 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.803 0.659 -11.468 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.412 1.211 -11.056 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.567 0.287 -12.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.084 2.872 -12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.285 2.502 -13.288 1.00 0.00 H new ATOM 0 HE ARG A 42 9.400 0.877 -14.181 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.035 4.107 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.518 4.430 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.428 1.301 -15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.615 2.852 -15.013 1.00 0.00 H new ATOM 664 N ILE A 43 10.947 0.749 -8.572 1.00 0.00 N ATOM 665 CA ILE A 43 11.036 1.945 -7.735 1.00 0.00 C ATOM 666 C ILE A 43 11.937 2.939 -8.461 1.00 0.00 C ATOM 667 O ILE A 43 12.983 2.552 -8.986 1.00 0.00 O ATOM 668 CB ILE A 43 11.645 1.688 -6.330 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.916 0.554 -5.600 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.606 2.965 -5.487 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.432 -0.830 -5.943 1.00 0.00 C ATOM 0 H ILE A 43 11.841 0.285 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 43 10.021 2.310 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 43 12.683 1.386 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.008 0.709 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.854 0.605 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.037 2.766 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.180 3.747 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.573 3.292 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.866 -1.577 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.315 -1.007 -7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.487 -0.901 -5.677 1.00 0.00 H new ATOM 683 N ALA A 44 11.543 4.197 -8.518 1.00 0.00 N ATOM 684 CA ALA A 44 12.344 5.201 -9.208 1.00 0.00 C ATOM 685 C ALA A 44 13.582 5.568 -8.398 1.00 0.00 C ATOM 686 O ALA A 44 13.527 5.650 -7.170 1.00 0.00 O ATOM 687 CB ALA A 44 11.525 6.450 -9.487 1.00 0.00 C ATOM 0 H ALA A 44 10.682 4.550 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 44 12.663 4.769 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.145 7.184 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.671 6.193 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.171 6.871 -8.546 1.00 0.00 H new ATOM 693 N PRO A 45 14.712 5.808 -9.078 1.00 0.00 N ATOM 694 CA PRO A 45 15.964 6.223 -8.431 1.00 0.00 C ATOM 695 C PRO A 45 15.844 7.598 -7.772 1.00 0.00 C ATOM 696 O PRO A 45 16.698 8.000 -6.983 1.00 0.00 O ATOM 697 CB PRO A 45 16.972 6.263 -9.585 1.00 0.00 C ATOM 698 CG PRO A 45 16.150 6.397 -10.818 1.00 0.00 C ATOM 699 CD PRO A 45 14.869 5.668 -10.536 1.00 0.00 C ATOM 0 HA PRO A 45 16.252 5.545 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.660 7.102 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.576 5.356 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.961 7.445 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.663 5.968 -11.679 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.029 6.107 -11.075 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.928 4.622 -10.835 1.00 0.00 H new ATOM 707 N LEU A 46 14.767 8.305 -8.102 1.00 0.00 N ATOM 708 CA LEU A 46 14.471 9.611 -7.513 1.00 0.00 C ATOM 709 C LEU A 46 14.331 9.510 -5.999 1.00 0.00 C ATOM 710 O LEU A 46 14.575 10.471 -5.271 1.00 0.00 O ATOM 711 CB LEU A 46 13.171 10.176 -8.098 1.00 0.00 C ATOM 712 CG LEU A 46 13.270 10.784 -9.506 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.397 11.803 -9.577 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.458 9.700 -10.559 1.00 0.00 C ATOM 0 H LEU A 46 14.075 7.991 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 46 15.302 10.276 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.430 9.377 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.794 10.941 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 46 12.331 11.297 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.448 12.220 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.209 12.604 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.343 11.317 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.525 10.159 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.375 9.148 -10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.609 9.017 -10.533 1.00 0.00 H new ATOM 726 N GLY A 47 13.933 8.343 -5.538 1.00 0.00 N ATOM 727 CA GLY A 47 13.695 8.141 -4.133 1.00 0.00 C ATOM 728 C GLY A 47 12.674 7.070 -3.924 1.00 0.00 C ATOM 729 O GLY A 47 13.019 5.944 -3.567 1.00 0.00 O ATOM 0 H GLY A 47 13.769 7.522 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.626 7.866 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.353 9.071 -3.679 1.00 0.00 H new ATOM 733 N ASP A 48 11.418 7.411 -4.176 1.00 0.00 N ATOM 734 CA ASP A 48 10.369 6.411 -4.148 1.00 0.00 C ATOM 735 C ASP A 48 9.053 6.926 -4.704 1.00 0.00 C ATOM 736 O ASP A 48 8.498 7.934 -4.259 1.00 0.00 O ATOM 737 CB ASP A 48 10.152 5.979 -2.688 1.00 0.00 C ATOM 738 CG ASP A 48 9.121 4.874 -2.508 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.909 5.174 -2.582 1.00 0.00 O ATOM 740 OD2 ASP A 48 9.522 3.715 -2.247 1.00 0.00 O ATOM 0 H ASP A 48 11.107 8.357 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 48 10.685 5.578 -4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.103 5.643 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.842 6.847 -2.107 1.00 0.00 H new ATOM 745 N PRO A 49 8.616 6.262 -5.766 1.00 0.00 N ATOM 746 CA PRO A 49 7.264 5.844 -5.998 1.00 0.00 C ATOM 747 C PRO A 49 7.255 4.330 -5.914 1.00 0.00 C ATOM 748 O PRO A 49 8.304 3.711 -5.715 1.00 0.00 O ATOM 749 CB PRO A 49 7.025 6.292 -7.437 1.00 0.00 C ATOM 750 CG PRO A 49 8.395 6.328 -8.064 1.00 0.00 C ATOM 751 CD PRO A 49 9.395 6.014 -6.969 1.00 0.00 C ATOM 0 HA PRO A 49 6.520 6.238 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.368 5.599 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.549 7.272 -7.472 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.468 5.600 -8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.594 7.308 -8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.747 4.984 -7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.275 6.655 -7.024 1.00 0.00 H new ATOM 759 N ILE A 50 6.132 3.709 -6.085 1.00 0.00 N ATOM 760 CA ILE A 50 6.142 2.267 -6.074 1.00 0.00 C ATOM 761 C ILE A 50 5.333 1.719 -7.227 1.00 0.00 C ATOM 762 O ILE A 50 4.106 1.787 -7.227 1.00 0.00 O ATOM 763 CB ILE A 50 5.616 1.684 -4.746 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.162 2.469 -3.552 1.00 0.00 C ATOM 765 CG2 ILE A 50 6.017 0.221 -4.629 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.686 1.947 -2.218 1.00 0.00 C ATOM 0 H ILE A 50 5.224 4.150 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 50 7.183 1.961 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 50 4.529 1.764 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.251 2.440 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.868 3.514 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.643 -0.185 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.592 -0.340 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.104 0.139 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.113 2.551 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.598 2.001 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.003 0.911 -2.099 1.00 0.00 H new ATOM 778 N GLN A 51 6.031 1.212 -8.226 1.00 0.00 N ATOM 779 CA GLN A 51 5.390 0.532 -9.328 1.00 0.00 C ATOM 780 C GLN A 51 5.211 -0.918 -8.926 1.00 0.00 C ATOM 781 O GLN A 51 6.194 -1.621 -8.733 1.00 0.00 O ATOM 782 CB GLN A 51 6.259 0.614 -10.583 1.00 0.00 C ATOM 783 CG GLN A 51 5.476 0.554 -11.880 1.00 0.00 C ATOM 784 CD GLN A 51 4.714 1.838 -12.152 1.00 0.00 C ATOM 785 OE1 GLN A 51 5.133 2.921 -11.743 1.00 0.00 O ATOM 786 NE2 GLN A 51 3.593 1.729 -12.841 1.00 0.00 N ATOM 0 H GLN A 51 7.048 1.261 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 51 4.430 0.997 -9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.829 1.542 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.980 -0.203 -10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.160 0.358 -12.706 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.776 -0.280 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.279 0.813 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.041 2.560 -13.052 1.00 0.00 H new ATOM 795 N VAL A 52 3.978 -1.359 -8.762 1.00 0.00 N ATOM 796 CA VAL A 52 3.713 -2.714 -8.295 1.00 0.00 C ATOM 797 C VAL A 52 2.566 -3.339 -9.059 1.00 0.00 C ATOM 798 O VAL A 52 1.832 -2.649 -9.753 1.00 0.00 O ATOM 799 CB VAL A 52 3.360 -2.755 -6.793 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.566 -2.423 -5.933 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.205 -1.805 -6.485 1.00 0.00 C ATOM 0 H VAL A 52 3.143 -0.803 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 52 4.633 -3.274 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 52 3.047 -3.771 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.284 -2.460 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.358 -3.147 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.923 -1.423 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.972 -1.849 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.490 -0.787 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.328 -2.100 -7.061 1.00 0.00 H new ATOM 811 N GLU A 53 2.419 -4.644 -8.925 1.00 0.00 N ATOM 812 CA GLU A 53 1.296 -5.351 -9.508 1.00 0.00 C ATOM 813 C GLU A 53 0.505 -6.040 -8.408 1.00 0.00 C ATOM 814 O GLU A 53 1.054 -6.837 -7.640 1.00 0.00 O ATOM 815 CB GLU A 53 1.784 -6.371 -10.535 1.00 0.00 C ATOM 816 CG GLU A 53 0.663 -7.105 -11.249 1.00 0.00 C ATOM 817 CD GLU A 53 1.177 -8.086 -12.277 1.00 0.00 C ATOM 818 OE1 GLU A 53 1.469 -7.659 -13.414 1.00 0.00 O ATOM 819 OE2 GLU A 53 1.293 -9.289 -11.957 1.00 0.00 O ATOM 0 H GLU A 53 3.070 -5.239 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 53 0.649 -4.638 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.401 -5.861 -11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.422 -7.100 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.056 -7.636 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.011 -6.380 -11.737 1.00 0.00 H new ATOM 826 N THR A 54 -0.774 -5.716 -8.316 1.00 0.00 N ATOM 827 CA THR A 54 -1.611 -6.271 -7.268 1.00 0.00 C ATOM 828 C THR A 54 -2.186 -7.622 -7.689 1.00 0.00 C ATOM 829 O THR A 54 -1.682 -8.675 -7.296 1.00 0.00 O ATOM 830 CB THR A 54 -2.761 -5.309 -6.912 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.282 -3.959 -6.913 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.348 -5.639 -5.548 1.00 0.00 C ATOM 0 H THR A 54 -1.252 -5.076 -8.950 1.00 0.00 H new ATOM 0 HA THR A 54 -0.984 -6.411 -6.388 1.00 0.00 H new ATOM 0 HB THR A 54 -3.544 -5.423 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.017 -3.351 -6.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.157 -4.945 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.736 -6.658 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.572 -5.551 -4.787 1.00 0.00 H new ATOM 840 N ARG A 55 -3.227 -7.582 -8.507 1.00 0.00 N ATOM 841 CA ARG A 55 -3.886 -8.796 -8.976 1.00 0.00 C ATOM 842 C ARG A 55 -4.443 -8.584 -10.378 1.00 0.00 C ATOM 843 O ARG A 55 -5.154 -9.435 -10.909 1.00 0.00 O ATOM 844 CB ARG A 55 -5.028 -9.176 -8.027 1.00 0.00 C ATOM 845 CG ARG A 55 -6.115 -8.113 -7.939 1.00 0.00 C ATOM 846 CD ARG A 55 -7.251 -8.530 -7.021 1.00 0.00 C ATOM 847 NE ARG A 55 -8.289 -7.503 -6.953 1.00 0.00 N ATOM 848 CZ ARG A 55 -9.211 -7.434 -5.992 1.00 0.00 C ATOM 849 NH1 ARG A 55 -9.272 -8.366 -5.045 1.00 0.00 N ATOM 850 NH2 ARG A 55 -10.088 -6.438 -5.987 1.00 0.00 N ATOM 0 H ARG A 55 -3.637 -6.718 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.152 -9.602 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.472 -10.114 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.621 -9.353 -7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.681 -7.181 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.509 -7.915 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.685 -9.464 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.861 -8.721 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.309 -6.795 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.610 -9.142 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.981 -8.305 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.056 -5.727 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.794 -6.384 -5.253 1.00 0.00 H new ATOM 864 N GLN A 56 -4.109 -7.449 -10.976 1.00 0.00 N ATOM 865 CA GLN A 56 -4.698 -7.062 -12.248 1.00 0.00 C ATOM 866 C GLN A 56 -3.631 -6.517 -13.186 1.00 0.00 C ATOM 867 O GLN A 56 -3.337 -7.105 -14.222 1.00 0.00 O ATOM 868 CB GLN A 56 -5.775 -5.999 -12.022 1.00 0.00 C ATOM 869 CG GLN A 56 -6.972 -6.128 -12.945 1.00 0.00 C ATOM 870 CD GLN A 56 -7.805 -7.356 -12.631 1.00 0.00 C ATOM 871 OE1 GLN A 56 -8.712 -7.305 -11.800 1.00 0.00 O ATOM 872 NE2 GLN A 56 -7.514 -8.462 -13.291 1.00 0.00 N ATOM 0 H GLN A 56 -3.435 -6.782 -10.601 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.149 -7.944 -12.703 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.118 -6.058 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.331 -5.012 -12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.594 -5.237 -12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.629 -6.178 -13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.755 -8.465 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.048 -9.314 -13.120 1.00 0.00 H new ATOM 881 N THR A 57 -3.044 -5.393 -12.806 1.00 0.00 N ATOM 882 CA THR A 57 -2.024 -4.753 -13.615 1.00 0.00 C ATOM 883 C THR A 57 -1.103 -3.942 -12.709 1.00 0.00 C ATOM 884 O THR A 57 -1.276 -3.944 -11.487 1.00 0.00 O ATOM 885 CB THR A 57 -2.654 -3.845 -14.703 1.00 0.00 C ATOM 886 OG1 THR A 57 -1.653 -3.403 -15.635 1.00 0.00 O ATOM 887 CG2 THR A 57 -3.343 -2.638 -14.075 1.00 0.00 C ATOM 0 H THR A 57 -3.260 -4.904 -11.937 1.00 0.00 H new ATOM 0 HA THR A 57 -1.448 -5.523 -14.128 1.00 0.00 H new ATOM 0 HB THR A 57 -3.400 -4.434 -15.236 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.068 -2.833 -16.315 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.776 -2.018 -14.859 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.132 -2.978 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.614 -2.055 -13.512 1.00 0.00 H new ATOM 895 N SER A 58 -0.130 -3.270 -13.302 1.00 0.00 N ATOM 896 CA SER A 58 0.819 -2.478 -12.542 1.00 0.00 C ATOM 897 C SER A 58 0.214 -1.134 -12.134 1.00 0.00 C ATOM 898 O SER A 58 -0.554 -0.521 -12.883 1.00 0.00 O ATOM 899 CB SER A 58 2.098 -2.264 -13.350 1.00 0.00 C ATOM 900 OG SER A 58 2.659 -3.505 -13.760 1.00 0.00 O ATOM 0 H SER A 58 0.022 -3.258 -14.310 1.00 0.00 H new ATOM 0 HA SER A 58 1.065 -3.026 -11.632 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.880 -1.653 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.823 -1.714 -12.750 1.00 0.00 H new ATOM 0 HG SER A 58 3.475 -3.340 -14.277 1.00 0.00 H new ATOM 906 N LEU A 59 0.566 -0.702 -10.937 1.00 0.00 N ATOM 907 CA LEU A 59 0.110 0.561 -10.383 1.00 0.00 C ATOM 908 C LEU A 59 1.285 1.337 -9.821 1.00 0.00 C ATOM 909 O LEU A 59 2.390 0.808 -9.713 1.00 0.00 O ATOM 910 CB LEU A 59 -0.920 0.318 -9.278 1.00 0.00 C ATOM 911 CG LEU A 59 -2.379 0.425 -9.710 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.299 -0.131 -8.633 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.733 1.873 -10.010 1.00 0.00 C ATOM 0 H LEU A 59 1.183 -1.224 -10.315 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.356 1.140 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.754 -0.675 -8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.743 1.034 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.515 -0.165 -10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.335 -0.046 -8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.060 -1.180 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.162 0.433 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.777 1.936 -10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.581 2.478 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.096 2.245 -10.812 1.00 0.00 H new ATOM 925 N ALA A 60 1.037 2.585 -9.460 1.00 0.00 N ATOM 926 CA ALA A 60 2.065 3.442 -8.893 1.00 0.00 C ATOM 927 C ALA A 60 1.475 4.283 -7.774 1.00 0.00 C ATOM 928 O ALA A 60 0.301 4.659 -7.826 1.00 0.00 O ATOM 929 CB ALA A 60 2.666 4.339 -9.966 1.00 0.00 C ATOM 0 H ALA A 60 0.124 3.030 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 60 2.859 2.815 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.434 4.973 -9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.111 3.723 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.884 4.964 -10.398 1.00 0.00 H new ATOM 935 N LEU A 61 2.279 4.581 -6.762 1.00 0.00 N ATOM 936 CA LEU A 61 1.817 5.378 -5.640 1.00 0.00 C ATOM 937 C LEU A 61 2.968 6.187 -5.074 1.00 0.00 C ATOM 938 O LEU A 61 4.133 5.862 -5.299 1.00 0.00 O ATOM 939 CB LEU A 61 1.184 4.506 -4.542 1.00 0.00 C ATOM 940 CG LEU A 61 2.088 3.442 -3.918 1.00 0.00 C ATOM 941 CD1 LEU A 61 1.619 3.112 -2.510 1.00 0.00 C ATOM 942 CD2 LEU A 61 2.100 2.179 -4.766 1.00 0.00 C ATOM 0 H LEU A 61 3.252 4.282 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 61 1.044 6.054 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.828 5.161 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.309 4.009 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 61 3.101 3.841 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.271 2.353 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.652 4.012 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.597 2.734 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.749 1.436 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.088 1.781 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.471 2.414 -5.764 1.00 0.00 H new ATOM 954 N ARG A 62 2.630 7.254 -4.375 1.00 0.00 N ATOM 955 CA ARG A 62 3.624 8.118 -3.776 1.00 0.00 C ATOM 956 C ARG A 62 3.784 7.817 -2.294 1.00 0.00 C ATOM 957 O ARG A 62 3.027 7.032 -1.725 1.00 0.00 O ATOM 958 CB ARG A 62 3.231 9.577 -3.968 1.00 0.00 C ATOM 959 CG ARG A 62 3.694 10.173 -5.281 1.00 0.00 C ATOM 960 CD ARG A 62 5.200 10.403 -5.279 1.00 0.00 C ATOM 961 NE ARG A 62 5.647 11.140 -6.456 1.00 0.00 N ATOM 962 CZ ARG A 62 6.720 11.934 -6.472 1.00 0.00 C ATOM 963 NH1 ARG A 62 7.430 12.133 -5.368 1.00 0.00 N ATOM 964 NH2 ARG A 62 7.073 12.547 -7.592 1.00 0.00 N ATOM 0 H ARG A 62 1.666 7.543 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 62 4.578 7.933 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.146 9.661 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.644 10.165 -3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.426 9.507 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.179 11.118 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.481 10.952 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.712 9.442 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 62 5.108 11.043 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.157 11.677 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.248 12.742 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.525 12.412 -8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.893 13.154 -7.605 1.00 0.00 H new ATOM 978 N ARG A 63 4.771 8.463 -1.684 1.00 0.00 N ATOM 979 CA ARG A 63 5.076 8.288 -0.265 1.00 0.00 C ATOM 980 C ARG A 63 3.863 8.564 0.620 1.00 0.00 C ATOM 981 O ARG A 63 3.688 7.921 1.653 1.00 0.00 O ATOM 982 CB ARG A 63 6.254 9.190 0.124 1.00 0.00 C ATOM 983 CG ARG A 63 6.023 10.678 -0.109 1.00 0.00 C ATOM 984 CD ARG A 63 5.494 11.373 1.138 1.00 0.00 C ATOM 985 NE ARG A 63 5.241 12.794 0.905 1.00 0.00 N ATOM 986 CZ ARG A 63 5.731 13.769 1.668 1.00 0.00 C ATOM 987 NH1 ARG A 63 6.519 13.477 2.697 1.00 0.00 N ATOM 988 NH2 ARG A 63 5.435 15.033 1.396 1.00 0.00 N ATOM 0 H ARG A 63 5.385 9.125 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 63 5.352 7.246 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.481 9.033 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.133 8.880 -0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.958 11.147 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.315 10.812 -0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.572 10.888 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.214 11.261 1.949 1.00 0.00 H new ATOM 0 HE ARG A 63 4.655 13.054 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.749 12.505 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.894 14.225 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.833 15.257 0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.809 15.781 1.979 1.00 0.00 H new ATOM 1002 N LYS A 64 3.039 9.521 0.215 1.00 0.00 N ATOM 1003 CA LYS A 64 1.816 9.840 0.950 1.00 0.00 C ATOM 1004 C LYS A 64 0.877 8.640 0.983 1.00 0.00 C ATOM 1005 O LYS A 64 0.415 8.230 2.046 1.00 0.00 O ATOM 1006 CB LYS A 64 1.094 11.032 0.317 1.00 0.00 C ATOM 1007 CG LYS A 64 -0.265 11.298 0.942 1.00 0.00 C ATOM 1008 CD LYS A 64 -1.051 12.351 0.182 1.00 0.00 C ATOM 1009 CE LYS A 64 -2.487 12.417 0.675 1.00 0.00 C ATOM 1010 NZ LYS A 64 -3.278 13.440 -0.052 1.00 0.00 N ATOM 0 H LYS A 64 3.192 10.091 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 64 2.102 10.098 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.715 11.922 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.968 10.850 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.837 10.371 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.131 11.622 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.575 13.324 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.038 12.121 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.957 11.441 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.494 12.643 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.251 13.452 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.845 14.376 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.294 13.211 -1.066 1.00 0.00 H new ATOM 1024 N ASP A 65 0.611 8.083 -0.192 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.297 6.945 -0.323 1.00 0.00 C ATOM 1026 C ASP A 65 0.299 5.734 0.386 1.00 0.00 C ATOM 1027 O ASP A 65 -0.400 4.970 1.052 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.529 6.643 -1.808 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.855 5.957 -2.084 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.901 4.712 -2.075 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.851 6.672 -2.345 1.00 0.00 O ATOM 0 H ASP A 65 1.013 8.401 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.256 7.182 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.486 7.575 -2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.281 6.012 -2.174 1.00 0.00 H new ATOM 1036 N LEU A 66 1.616 5.598 0.254 1.00 0.00 N ATOM 1037 CA LEU A 66 2.368 4.548 0.928 1.00 0.00 C ATOM 1038 C LEU A 66 2.233 4.661 2.445 1.00 0.00 C ATOM 1039 O LEU A 66 2.117 3.659 3.142 1.00 0.00 O ATOM 1040 CB LEU A 66 3.844 4.644 0.535 1.00 0.00 C ATOM 1041 CG LEU A 66 4.788 3.683 1.265 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.409 2.237 0.987 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.231 3.944 0.863 1.00 0.00 C ATOM 0 H LEU A 66 2.190 6.213 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 66 1.963 3.584 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.928 4.464 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.183 5.664 0.714 1.00 0.00 H new ATOM 0 HG LEU A 66 4.691 3.859 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.093 1.573 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.390 2.056 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.471 2.044 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.887 3.252 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.341 3.799 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.501 4.968 1.121 1.00 0.00 H new ATOM 1055 N ALA A 67 2.243 5.888 2.942 1.00 0.00 N ATOM 1056 CA ALA A 67 2.202 6.141 4.379 1.00 0.00 C ATOM 1057 C ALA A 67 0.863 5.747 4.989 1.00 0.00 C ATOM 1058 O ALA A 67 0.755 5.585 6.204 1.00 0.00 O ATOM 1059 CB ALA A 67 2.504 7.604 4.668 1.00 0.00 C ATOM 0 H ALA A 67 2.279 6.731 2.369 1.00 0.00 H new ATOM 0 HA ALA A 67 2.968 5.519 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.470 7.777 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.497 7.852 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.762 8.233 4.176 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.151 5.587 4.149 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.472 5.197 4.626 1.00 0.00 C ATOM 1067 C LEU A 68 -1.566 3.684 4.800 1.00 0.00 C ATOM 1068 O LEU A 68 -2.346 3.185 5.617 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.552 5.685 3.659 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.587 7.201 3.433 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.632 7.563 2.391 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.862 7.932 4.738 1.00 0.00 C ATOM 0 H LEU A 68 -0.086 5.720 3.140 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.631 5.663 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.405 5.193 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.525 5.367 4.035 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.610 7.513 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.641 8.643 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.391 7.071 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.614 7.234 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.883 9.006 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.825 7.613 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.076 7.701 5.457 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.751 2.959 4.052 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.794 1.505 4.068 1.00 0.00 C ATOM 1086 C LEU A 69 0.445 0.937 4.747 1.00 0.00 C ATOM 1087 O LEU A 69 1.568 1.334 4.445 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.887 0.959 2.641 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.114 1.403 1.841 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -2.028 0.879 0.418 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.390 0.916 2.509 1.00 0.00 C ATOM 0 H LEU A 69 -0.050 3.354 3.425 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.677 1.200 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.008 1.261 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.880 -0.130 2.687 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.136 2.492 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.906 1.201 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.130 1.270 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.987 -0.210 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.252 1.241 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.379 -0.173 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.455 1.330 3.515 1.00 0.00 H new ATOM 1103 N THR A 70 0.247 0.008 5.663 1.00 0.00 N ATOM 1104 CA THR A 70 1.366 -0.653 6.296 1.00 0.00 C ATOM 1105 C THR A 70 1.772 -1.870 5.474 1.00 0.00 C ATOM 1106 O THR A 70 1.018 -2.841 5.357 1.00 0.00 O ATOM 1107 CB THR A 70 1.022 -1.085 7.725 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.352 -0.012 8.407 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.275 -1.474 8.496 1.00 0.00 C ATOM 0 H THR A 70 -0.671 -0.302 5.982 1.00 0.00 H new ATOM 0 HA THR A 70 2.195 0.053 6.346 1.00 0.00 H new ATOM 0 HB THR A 70 0.367 -1.955 7.671 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.132 -0.292 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.001 -1.776 9.507 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.770 -2.303 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.952 -0.621 8.543 1.00 0.00 H new ATOM 1117 N LEU A 71 2.958 -1.808 4.903 1.00 0.00 N ATOM 1118 CA LEU A 71 3.431 -2.853 4.011 1.00 0.00 C ATOM 1119 C LEU A 71 4.648 -3.546 4.601 1.00 0.00 C ATOM 1120 O LEU A 71 5.582 -2.889 5.074 1.00 0.00 O ATOM 1121 CB LEU A 71 3.791 -2.266 2.641 1.00 0.00 C ATOM 1122 CG LEU A 71 2.668 -1.507 1.931 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.140 -1.008 0.576 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.444 -2.386 1.769 1.00 0.00 C ATOM 0 H LEU A 71 3.617 -1.041 5.040 1.00 0.00 H new ATOM 0 HA LEU A 71 2.630 -3.582 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.638 -1.592 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.122 -3.078 1.994 1.00 0.00 H new ATOM 0 HG LEU A 71 2.396 -0.649 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.330 -0.470 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.990 -0.339 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.439 -1.856 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.658 -1.826 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.703 -3.265 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.089 -2.701 2.751 1.00 0.00 H new ATOM 1136 N VAL A 72 4.627 -4.866 4.584 1.00 0.00 N ATOM 1137 CA VAL A 72 5.774 -5.658 5.003 1.00 0.00 C ATOM 1138 C VAL A 72 6.122 -6.665 3.913 1.00 0.00 C ATOM 1139 O VAL A 72 5.232 -7.213 3.270 1.00 0.00 O ATOM 1140 CB VAL A 72 5.516 -6.408 6.332 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.244 -5.427 7.463 1.00 0.00 C ATOM 1142 CG2 VAL A 72 4.364 -7.393 6.191 1.00 0.00 C ATOM 0 H VAL A 72 3.824 -5.417 4.283 1.00 0.00 H new ATOM 0 HA VAL A 72 6.604 -4.971 5.168 1.00 0.00 H new ATOM 0 HB VAL A 72 6.416 -6.973 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.066 -5.977 8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.106 -4.772 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.366 -4.828 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.205 -7.905 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.458 -6.855 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.603 -8.125 5.419 1.00 0.00 H new ATOM 1152 N PRO A 73 7.411 -6.908 3.662 1.00 0.00 N ATOM 1153 CA PRO A 73 7.829 -7.871 2.640 1.00 0.00 C ATOM 1154 C PRO A 73 7.410 -9.299 2.982 1.00 0.00 C ATOM 1155 O PRO A 73 7.071 -9.603 4.128 1.00 0.00 O ATOM 1156 CB PRO A 73 9.360 -7.757 2.630 1.00 0.00 C ATOM 1157 CG PRO A 73 9.669 -6.479 3.336 1.00 0.00 C ATOM 1158 CD PRO A 73 8.555 -6.263 4.318 1.00 0.00 C ATOM 0 HA PRO A 73 7.368 -7.656 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.820 -8.606 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.746 -7.746 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.631 -6.538 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.732 -5.650 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.775 -6.716 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.374 -5.203 4.497 1.00 0.00 H new ATOM 1166 N LEU A 74 7.415 -10.163 1.978 1.00 0.00 N ATOM 1167 CA LEU A 74 7.170 -11.579 2.193 1.00 0.00 C ATOM 1168 C LEU A 74 8.344 -12.219 2.922 1.00 0.00 C ATOM 1169 O LEU A 74 8.156 -12.973 3.875 1.00 0.00 O ATOM 1170 CB LEU A 74 6.932 -12.291 0.862 1.00 0.00 C ATOM 1171 CG LEU A 74 5.674 -11.866 0.102 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.528 -12.682 -1.168 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.438 -12.017 0.973 1.00 0.00 C ATOM 0 H LEU A 74 7.586 -9.907 1.006 1.00 0.00 H new ATOM 0 HA LEU A 74 6.276 -11.680 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.797 -12.123 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.877 -13.364 1.049 1.00 0.00 H new ATOM 0 HG LEU A 74 5.774 -10.814 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.629 -12.370 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.399 -12.524 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.451 -13.739 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.557 -11.709 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.330 -13.059 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.539 -11.392 1.860 1.00 0.00 H new ATOM 1185 N ASP A 75 9.550 -11.903 2.473 1.00 0.00 N ATOM 1186 CA ASP A 75 10.759 -12.426 3.090 1.00 0.00 C ATOM 1187 C ASP A 75 11.709 -11.286 3.404 1.00 0.00 C ATOM 1188 O ASP A 75 12.292 -10.728 2.457 1.00 0.00 O ATOM 1189 CB ASP A 75 11.446 -13.441 2.174 1.00 0.00 C ATOM 1190 CG ASP A 75 12.703 -14.022 2.792 1.00 0.00 C ATOM 1191 OD1 ASP A 75 12.586 -14.852 3.717 1.00 0.00 O ATOM 1192 OD2 ASP A 75 13.814 -13.666 2.346 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.851 -10.939 4.594 1.00 0.00 O ATOM 0 H ASP A 75 9.717 -11.284 1.680 1.00 0.00 H new ATOM 0 HA ASP A 75 10.482 -12.933 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.751 -14.249 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.698 -12.960 1.229 1.00 0.00 H new