USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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= 0.694 K(o=1.2,f=-5.4!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -170:sc= 0.475 (180deg=0.423) USER MOD Set 2.1: A 35 MET CE :methyl -177:sc= -0.29 (180deg=-0.332) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -148:sc= 1.02 (180deg=0.329) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.783) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -79:sc= 0.64 USER MOD Single : A 42 GLN : amide:sc= 0.705 K(o=0.71,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.593 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 61 SER OG : rot 76:sc= 0.508 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.909 K(o=0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.358 3.326 -14.169 1.00 0.00 N ATOM 70 CA PRO A 6 -31.276 4.744 -14.540 1.00 0.00 C ATOM 71 C PRO A 6 -32.579 5.349 -15.054 1.00 0.00 C ATOM 72 O PRO A 6 -32.810 6.543 -14.840 1.00 0.00 O ATOM 73 CB PRO A 6 -30.196 4.840 -15.627 1.00 0.00 C ATOM 74 CG PRO A 6 -30.188 3.428 -16.200 1.00 0.00 C ATOM 75 CD PRO A 6 -30.453 2.543 -14.992 1.00 0.00 C ATOM 0 HA PRO A 6 -31.042 5.318 -13.643 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.445 5.585 -16.383 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.226 5.117 -15.214 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.955 3.302 -16.964 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.232 3.191 -16.667 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.901 1.593 -15.285 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.531 2.310 -14.459 1.00 0.00 H new ATOM 83 N VAL A 7 -33.441 4.540 -15.688 1.00 0.00 N ATOM 84 CA VAL A 7 -34.768 4.996 -16.119 1.00 0.00 C ATOM 85 C VAL A 7 -35.512 5.564 -14.926 1.00 0.00 C ATOM 86 O VAL A 7 -35.977 6.693 -14.964 1.00 0.00 O ATOM 87 CB VAL A 7 -35.619 3.906 -16.799 1.00 0.00 C ATOM 88 CG1 VAL A 7 -37.047 4.376 -17.096 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.857 3.281 -17.951 1.00 0.00 C ATOM 0 H VAL A 7 -33.241 3.565 -15.913 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.603 5.760 -16.878 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.787 3.086 -16.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.603 3.570 -17.575 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.540 4.653 -16.164 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -37.015 5.239 -17.761 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.472 2.513 -18.420 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.613 4.049 -18.685 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.937 2.831 -17.577 1.00 0.00 H new ATOM 99 N MET A 8 -35.568 4.792 -13.845 1.00 0.00 N ATOM 100 CA MET A 8 -36.222 5.150 -12.594 1.00 0.00 C ATOM 101 C MET A 8 -35.734 6.472 -11.978 1.00 0.00 C ATOM 102 O MET A 8 -36.557 7.265 -11.523 1.00 0.00 O ATOM 103 CB MET A 8 -36.075 3.959 -11.650 1.00 0.00 C ATOM 104 CG MET A 8 -37.155 3.948 -10.569 1.00 0.00 C ATOM 105 SD MET A 8 -36.906 5.086 -9.175 1.00 0.00 S ATOM 106 CE MET A 8 -38.482 4.863 -8.305 1.00 0.00 C ATOM 0 H MET A 8 -35.143 3.865 -13.817 1.00 0.00 H new ATOM 0 HA MET A 8 -37.275 5.353 -12.789 1.00 0.00 H new ATOM 0 HB2 MET A 8 -36.127 3.033 -12.223 1.00 0.00 H new ATOM 0 HB3 MET A 8 -35.092 3.988 -11.180 1.00 0.00 H new ATOM 0 HG2 MET A 8 -38.111 4.184 -11.037 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.234 2.935 -10.174 1.00 0.00 H new ATOM 0 HE1 MET A 8 -38.499 5.494 -7.416 1.00 0.00 H new ATOM 0 HE2 MET A 8 -39.304 5.142 -8.964 1.00 0.00 H new ATOM 0 HE3 MET A 8 -38.591 3.819 -8.011 1.00 0.00 H new ATOM 116 N ILE A 9 -34.421 6.721 -11.942 1.00 0.00 N ATOM 117 CA ILE A 9 -33.842 8.018 -11.546 1.00 0.00 C ATOM 118 C ILE A 9 -34.339 9.164 -12.427 1.00 0.00 C ATOM 119 O ILE A 9 -34.876 10.147 -11.926 1.00 0.00 O ATOM 120 CB ILE A 9 -32.296 8.020 -11.514 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.671 6.678 -11.080 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.816 9.157 -10.595 1.00 0.00 C ATOM 123 CD1 ILE A 9 -30.173 6.626 -11.377 1.00 0.00 C ATOM 0 H ILE A 9 -33.719 6.023 -12.189 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.191 8.177 -10.526 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.958 8.178 -12.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.835 6.529 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -32.172 5.860 -11.597 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.726 9.166 -10.566 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.177 10.111 -10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.204 9.000 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.772 5.665 -11.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -30.010 6.748 -12.448 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.667 7.428 -10.839 1.00 0.00 H new ATOM 135 N LEU A 10 -34.125 9.070 -13.745 1.00 0.00 N ATOM 136 CA LEU A 10 -34.577 10.098 -14.694 1.00 0.00 C ATOM 137 C LEU A 10 -36.081 10.370 -14.584 1.00 0.00 C ATOM 138 O LEU A 10 -36.532 11.515 -14.598 1.00 0.00 O ATOM 139 CB LEU A 10 -33.997 9.801 -16.090 1.00 0.00 C ATOM 140 CG LEU A 10 -34.777 9.682 -17.411 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.743 8.513 -17.493 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.418 10.986 -17.848 1.00 0.00 C ATOM 0 H LEU A 10 -33.638 8.287 -14.182 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.170 11.076 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.250 10.576 -16.264 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.460 8.858 -15.985 1.00 0.00 H new ATOM 0 HG LEU A 10 -34.000 9.447 -18.138 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.241 8.520 -18.463 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.195 7.579 -17.373 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.488 8.600 -16.702 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.952 10.833 -18.786 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.118 11.322 -17.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.645 11.742 -17.990 1.00 0.00 H new ATOM 154 N ASN A 11 -36.832 9.294 -14.371 1.00 0.00 N ATOM 155 CA ASN A 11 -38.241 9.289 -13.994 1.00 0.00 C ATOM 156 C ASN A 11 -38.499 10.118 -12.721 1.00 0.00 C ATOM 157 O ASN A 11 -39.271 11.065 -12.760 1.00 0.00 O ATOM 158 CB ASN A 11 -38.678 7.818 -13.884 1.00 0.00 C ATOM 159 CG ASN A 11 -39.828 7.562 -12.922 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.992 7.774 -13.231 1.00 0.00 O ATOM 161 ND2 ASN A 11 -39.533 7.097 -11.726 1.00 0.00 N ATOM 0 H ASN A 11 -36.453 8.351 -14.462 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.851 9.781 -14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.966 7.465 -14.874 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.821 7.222 -13.570 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -40.277 6.912 -11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -38.561 6.922 -11.473 1.00 0.00 H new ATOM 168 N GLU A 12 -37.906 9.759 -11.579 1.00 0.00 N ATOM 169 CA GLU A 12 -38.068 10.487 -10.314 1.00 0.00 C ATOM 170 C GLU A 12 -37.701 11.980 -10.422 1.00 0.00 C ATOM 171 O GLU A 12 -38.511 12.854 -10.108 1.00 0.00 O ATOM 172 CB GLU A 12 -37.406 9.710 -9.151 1.00 0.00 C ATOM 173 CG GLU A 12 -36.006 10.140 -8.690 1.00 0.00 C ATOM 174 CD GLU A 12 -35.440 9.148 -7.666 1.00 0.00 C ATOM 175 OE1 GLU A 12 -36.048 8.956 -6.586 1.00 0.00 O ATOM 176 OE2 GLU A 12 -34.389 8.521 -7.940 1.00 0.00 O ATOM 0 H GLU A 12 -37.293 8.947 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.129 10.527 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -38.072 9.770 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -37.353 8.661 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -35.339 10.202 -9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -36.053 11.136 -8.250 1.00 0.00 H new ATOM 183 N LEU A 13 -36.469 12.268 -10.859 1.00 0.00 N ATOM 184 CA LEU A 13 -35.922 13.591 -11.173 1.00 0.00 C ATOM 185 C LEU A 13 -36.681 14.449 -12.208 1.00 0.00 C ATOM 186 O LEU A 13 -36.594 15.671 -12.093 1.00 0.00 O ATOM 187 CB LEU A 13 -34.407 13.490 -11.438 1.00 0.00 C ATOM 188 CG LEU A 13 -33.586 13.022 -10.208 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.093 13.050 -10.527 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.780 13.872 -8.952 1.00 0.00 C ATOM 0 H LEU A 13 -35.781 11.531 -11.013 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.091 14.182 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.237 12.797 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.038 14.464 -11.760 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.955 12.017 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.528 12.719 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.888 12.385 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -31.796 14.066 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.168 13.472 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.481 14.900 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.829 13.852 -8.657 1.00 0.00 H new ATOM 202 N ARG A 14 -37.392 13.854 -13.189 1.00 0.00 N ATOM 203 CA ARG A 14 -37.976 14.483 -14.412 1.00 0.00 C ATOM 204 C ARG A 14 -37.956 16.027 -14.517 1.00 0.00 C ATOM 205 O ARG A 14 -38.996 16.657 -14.320 1.00 0.00 O ATOM 206 CB ARG A 14 -39.333 13.859 -14.829 1.00 0.00 C ATOM 207 CG ARG A 14 -40.595 13.808 -13.926 1.00 0.00 C ATOM 208 CD ARG A 14 -40.908 14.876 -12.868 1.00 0.00 C ATOM 209 NE ARG A 14 -40.010 14.824 -11.697 1.00 0.00 N ATOM 210 CZ ARG A 14 -39.486 15.843 -11.042 1.00 0.00 C ATOM 211 NH1 ARG A 14 -39.518 17.060 -11.502 1.00 0.00 N ATOM 212 NH2 ARG A 14 -38.893 15.632 -9.903 1.00 0.00 N ATOM 0 H ARG A 14 -37.592 12.854 -13.154 1.00 0.00 H new ATOM 0 HA ARG A 14 -37.238 14.210 -15.166 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -39.635 14.376 -15.740 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.118 12.827 -15.105 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -41.454 13.775 -14.596 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.562 12.853 -13.402 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -40.838 15.862 -13.327 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -41.938 14.753 -12.532 1.00 0.00 H new ATOM 0 HE ARG A 14 -39.767 13.894 -11.355 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -39.960 17.254 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -39.101 17.820 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -38.837 14.686 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -38.485 16.412 -9.388 1.00 0.00 H new ATOM 226 N PRO A 15 -36.810 16.676 -14.817 1.00 0.00 N ATOM 227 CA PRO A 15 -36.660 18.124 -14.619 1.00 0.00 C ATOM 228 C PRO A 15 -37.666 19.018 -15.361 1.00 0.00 C ATOM 229 O PRO A 15 -38.099 20.047 -14.838 1.00 0.00 O ATOM 230 CB PRO A 15 -35.218 18.448 -15.012 1.00 0.00 C ATOM 231 CG PRO A 15 -34.477 17.136 -14.767 1.00 0.00 C ATOM 232 CD PRO A 15 -35.516 16.078 -15.128 1.00 0.00 C ATOM 0 HA PRO A 15 -36.882 18.353 -13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -35.147 18.760 -16.054 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.810 19.258 -14.408 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -33.586 17.054 -15.389 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -34.152 17.044 -13.731 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -35.452 15.809 -16.182 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.359 15.164 -14.556 1.00 0.00 H new ATOM 240 N GLY A 16 -38.066 18.596 -16.560 1.00 0.00 N ATOM 241 CA GLY A 16 -39.124 19.216 -17.366 1.00 0.00 C ATOM 242 C GLY A 16 -39.298 18.523 -18.721 1.00 0.00 C ATOM 243 O GLY A 16 -39.592 19.183 -19.720 1.00 0.00 O ATOM 0 H GLY A 16 -37.649 17.784 -17.015 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -40.065 19.180 -16.817 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.888 20.268 -17.525 1.00 0.00 H new ATOM 247 N LEU A 17 -39.014 17.215 -18.778 1.00 0.00 N ATOM 248 CA LEU A 17 -38.746 16.492 -20.018 1.00 0.00 C ATOM 249 C LEU A 17 -39.955 15.753 -20.606 1.00 0.00 C ATOM 250 O LEU A 17 -40.963 15.521 -19.934 1.00 0.00 O ATOM 251 CB LEU A 17 -37.522 15.591 -19.809 1.00 0.00 C ATOM 252 CG LEU A 17 -37.471 14.705 -18.555 1.00 0.00 C ATOM 253 CD1 LEU A 17 -38.426 13.519 -18.600 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.046 14.190 -18.433 1.00 0.00 C ATOM 0 H LEU A 17 -38.964 16.624 -17.948 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.523 17.228 -20.790 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.437 14.940 -20.679 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -36.638 16.229 -19.801 1.00 0.00 H new ATOM 0 HG LEU A 17 -37.780 15.308 -17.701 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -38.332 12.941 -17.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.450 13.880 -18.699 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.180 12.886 -19.453 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -35.963 13.553 -17.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -35.790 13.614 -19.322 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -35.361 15.033 -18.337 1.00 0.00 H new ATOM 266 N LYS A 18 -39.817 15.376 -21.880 1.00 0.00 N ATOM 267 CA LYS A 18 -40.766 14.543 -22.635 1.00 0.00 C ATOM 268 C LYS A 18 -40.073 13.456 -23.443 1.00 0.00 C ATOM 269 O LYS A 18 -38.990 13.682 -23.990 1.00 0.00 O ATOM 270 CB LYS A 18 -41.783 15.347 -23.463 1.00 0.00 C ATOM 271 CG LYS A 18 -41.259 16.461 -24.393 1.00 0.00 C ATOM 272 CD LYS A 18 -40.579 16.028 -25.702 1.00 0.00 C ATOM 273 CE LYS A 18 -41.463 15.141 -26.587 1.00 0.00 C ATOM 274 NZ LYS A 18 -40.851 14.937 -27.921 1.00 0.00 N ATOM 0 H LYS A 18 -39.010 15.652 -22.439 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.363 14.034 -21.879 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.344 14.641 -24.075 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.491 15.800 -22.769 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.097 17.109 -24.647 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.549 17.065 -23.828 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -40.292 16.917 -26.264 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -39.661 15.490 -25.465 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -41.616 14.177 -26.103 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -42.445 15.600 -26.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -41.555 14.527 -28.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -40.527 15.851 -28.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.041 14.290 -27.836 1.00 0.00 H new ATOM 288 N TYR A 19 -40.703 12.282 -23.473 1.00 0.00 N ATOM 289 CA TYR A 19 -40.196 11.087 -24.135 1.00 0.00 C ATOM 290 C TYR A 19 -40.927 10.814 -25.450 1.00 0.00 C ATOM 291 O TYR A 19 -42.157 10.846 -25.526 1.00 0.00 O ATOM 292 CB TYR A 19 -40.343 9.838 -23.259 1.00 0.00 C ATOM 293 CG TYR A 19 -39.841 9.959 -21.846 1.00 0.00 C ATOM 294 CD1 TYR A 19 -38.510 9.631 -21.565 1.00 0.00 C ATOM 295 CD2 TYR A 19 -40.710 10.363 -20.815 1.00 0.00 C ATOM 296 CE1 TYR A 19 -38.028 9.714 -20.252 1.00 0.00 C ATOM 297 CE2 TYR A 19 -40.235 10.442 -19.494 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.899 10.100 -19.205 1.00 0.00 C ATOM 299 OH TYR A 19 -38.484 10.143 -17.916 1.00 0.00 O ATOM 0 H TYR A 19 -41.607 12.135 -23.023 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.141 11.285 -24.325 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.397 9.564 -23.226 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.815 9.016 -23.742 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -37.853 9.313 -22.361 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.737 10.611 -21.038 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -36.994 9.484 -20.039 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -40.894 10.765 -18.701 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.225 10.432 -17.343 1.00 0.00 H new ATOM 309 N ASP A 20 -40.147 10.492 -26.471 1.00 0.00 N ATOM 310 CA ASP A 20 -40.606 9.889 -27.724 1.00 0.00 C ATOM 311 C ASP A 20 -40.235 8.405 -27.748 1.00 0.00 C ATOM 312 O ASP A 20 -39.091 8.044 -27.461 1.00 0.00 O ATOM 313 CB ASP A 20 -39.956 10.563 -28.936 1.00 0.00 C ATOM 314 CG ASP A 20 -40.196 12.068 -28.956 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.293 12.515 -29.368 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.284 12.817 -28.538 1.00 0.00 O ATOM 0 H ASP A 20 -39.139 10.647 -26.454 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.687 10.019 -27.778 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.884 10.368 -28.926 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.352 10.122 -29.851 1.00 0.00 H new ATOM 321 N PHE A 21 -41.179 7.558 -28.162 1.00 0.00 N ATOM 322 CA PHE A 21 -40.940 6.132 -28.374 1.00 0.00 C ATOM 323 C PHE A 21 -40.849 5.859 -29.881 1.00 0.00 C ATOM 324 O PHE A 21 -41.775 6.127 -30.654 1.00 0.00 O ATOM 325 CB PHE A 21 -42.050 5.301 -27.707 1.00 0.00 C ATOM 326 CG PHE A 21 -41.999 3.809 -28.010 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.768 3.133 -28.115 1.00 0.00 C ATOM 328 CD2 PHE A 21 -43.195 3.105 -28.257 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.730 1.797 -28.543 1.00 0.00 C ATOM 330 CE2 PHE A 21 -43.157 1.755 -28.652 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.923 1.106 -28.821 1.00 0.00 C ATOM 0 H PHE A 21 -42.137 7.846 -28.361 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.997 5.838 -27.913 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.991 5.441 -26.628 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -43.017 5.690 -28.026 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.850 3.644 -27.865 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -44.146 3.605 -28.142 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -39.780 1.297 -28.659 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -44.078 1.217 -28.825 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.890 0.082 -29.163 1.00 0.00 H new ATOM 341 N LEU A 22 -39.690 5.344 -30.275 1.00 0.00 N ATOM 342 CA LEU A 22 -39.242 5.034 -31.620 1.00 0.00 C ATOM 343 C LEU A 22 -38.873 3.544 -31.626 1.00 0.00 C ATOM 344 O LEU A 22 -38.279 3.035 -30.683 1.00 0.00 O ATOM 345 CB LEU A 22 -38.014 5.887 -32.010 1.00 0.00 C ATOM 346 CG LEU A 22 -38.129 7.426 -32.025 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.005 8.086 -30.657 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.983 8.021 -32.848 1.00 0.00 C ATOM 0 H LEU A 22 -38.972 5.112 -29.589 1.00 0.00 H new ATOM 0 HA LEU A 22 -40.026 5.255 -32.344 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -37.206 5.627 -31.326 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -37.702 5.573 -33.006 1.00 0.00 H new ATOM 0 HG LEU A 22 -39.122 7.619 -32.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.098 9.167 -30.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.795 7.717 -30.002 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -37.034 7.847 -30.224 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.067 9.108 -32.857 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -36.029 7.734 -32.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -37.035 7.645 -33.870 1.00 0.00 H new ATOM 360 N SER A 23 -39.259 2.787 -32.634 1.00 0.00 N ATOM 361 CA SER A 23 -38.509 1.573 -32.970 1.00 0.00 C ATOM 362 C SER A 23 -37.336 1.927 -33.894 1.00 0.00 C ATOM 363 O SER A 23 -37.353 2.970 -34.553 1.00 0.00 O ATOM 364 CB SER A 23 -39.455 0.593 -33.642 1.00 0.00 C ATOM 365 OG SER A 23 -38.889 -0.703 -33.671 1.00 0.00 O ATOM 0 H SER A 23 -40.067 2.976 -33.228 1.00 0.00 H new ATOM 0 HA SER A 23 -38.100 1.116 -32.069 1.00 0.00 H new ATOM 0 HB2 SER A 23 -40.404 0.570 -33.106 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.670 0.925 -34.658 1.00 0.00 H new ATOM 0 HG SER A 23 -39.512 -1.322 -34.106 1.00 0.00 H new ATOM 490 N PHE A 33 -35.104 -0.879 -29.811 1.00 0.00 N ATOM 491 CA PHE A 33 -36.165 0.063 -29.538 1.00 0.00 C ATOM 492 C PHE A 33 -35.440 1.312 -29.070 1.00 0.00 C ATOM 493 O PHE A 33 -34.427 1.257 -28.373 1.00 0.00 O ATOM 494 CB PHE A 33 -37.070 -0.431 -28.405 1.00 0.00 C ATOM 495 CG PHE A 33 -37.787 -1.746 -28.646 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.076 -2.959 -28.617 1.00 0.00 C ATOM 497 CD2 PHE A 33 -39.180 -1.768 -28.828 1.00 0.00 C ATOM 498 CE1 PHE A 33 -37.750 -4.179 -28.775 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.859 -2.988 -28.972 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.144 -4.199 -28.950 1.00 0.00 C ATOM 0 HA PHE A 33 -36.797 0.217 -30.412 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.466 -0.530 -27.503 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.818 0.336 -28.205 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.006 -2.951 -28.472 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -39.732 -0.840 -28.857 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.196 -5.106 -28.762 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -40.931 -2.997 -29.100 1.00 0.00 H new ATOM 0 HZ PHE A 33 -39.663 -5.139 -29.067 1.00 0.00 H new ATOM 510 N VAL A 34 -35.875 2.439 -29.579 1.00 0.00 N ATOM 511 CA VAL A 34 -35.185 3.706 -29.471 1.00 0.00 C ATOM 512 C VAL A 34 -36.030 4.691 -28.661 1.00 0.00 C ATOM 513 O VAL A 34 -37.221 4.889 -28.890 1.00 0.00 O ATOM 514 CB VAL A 34 -34.856 4.152 -30.896 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.343 5.567 -30.939 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.720 3.313 -31.466 1.00 0.00 C ATOM 0 H VAL A 34 -36.750 2.504 -30.099 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.247 3.637 -28.921 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.783 4.049 -31.459 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -34.122 5.843 -31.970 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -35.100 6.241 -30.538 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.435 5.643 -30.340 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.498 3.643 -32.481 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.833 3.431 -30.844 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.015 2.264 -31.482 1.00 0.00 H new ATOM 526 N MET A 35 -35.399 5.313 -27.674 1.00 0.00 N ATOM 527 CA MET A 35 -36.026 6.326 -26.826 1.00 0.00 C ATOM 528 C MET A 35 -35.359 7.675 -27.034 1.00 0.00 C ATOM 529 O MET A 35 -34.156 7.813 -26.811 1.00 0.00 O ATOM 530 CB MET A 35 -35.947 5.900 -25.352 1.00 0.00 C ATOM 531 CG MET A 35 -37.203 5.131 -24.948 1.00 0.00 C ATOM 532 SD MET A 35 -38.634 6.247 -24.819 1.00 0.00 S ATOM 533 CE MET A 35 -40.003 5.085 -24.647 1.00 0.00 C ATOM 0 H MET A 35 -34.425 5.128 -27.434 1.00 0.00 H new ATOM 0 HA MET A 35 -37.076 6.420 -27.103 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.066 5.278 -25.194 1.00 0.00 H new ATOM 0 HB3 MET A 35 -35.833 6.780 -24.719 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.409 4.352 -25.682 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.038 4.633 -23.993 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.944 5.634 -24.612 1.00 0.00 H new ATOM 0 HE2 MET A 35 -40.011 4.404 -25.498 1.00 0.00 H new ATOM 0 HE3 MET A 35 -39.882 4.514 -23.727 1.00 0.00 H new ATOM 543 N SER A 36 -36.158 8.676 -27.393 1.00 0.00 N ATOM 544 CA SER A 36 -35.730 10.071 -27.479 1.00 0.00 C ATOM 545 C SER A 36 -36.267 10.867 -26.294 1.00 0.00 C ATOM 546 O SER A 36 -37.410 10.675 -25.882 1.00 0.00 O ATOM 547 CB SER A 36 -36.032 10.729 -28.824 1.00 0.00 C ATOM 548 OG SER A 36 -36.632 12.009 -28.716 1.00 0.00 O ATOM 0 H SER A 36 -37.139 8.539 -27.637 1.00 0.00 H new ATOM 0 HA SER A 36 -34.642 10.073 -27.421 1.00 0.00 H new ATOM 0 HB2 SER A 36 -35.104 10.820 -29.389 1.00 0.00 H new ATOM 0 HB3 SER A 36 -36.691 10.077 -29.397 1.00 0.00 H new ATOM 0 HG SER A 36 -37.586 11.907 -28.517 1.00 0.00 H new ATOM 554 N VAL A 37 -35.430 11.712 -25.701 1.00 0.00 N ATOM 555 CA VAL A 37 -35.866 12.724 -24.727 1.00 0.00 C ATOM 556 C VAL A 37 -35.496 14.137 -25.154 1.00 0.00 C ATOM 557 O VAL A 37 -34.361 14.390 -25.563 1.00 0.00 O ATOM 558 CB VAL A 37 -35.402 12.511 -23.279 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.251 11.544 -22.483 1.00 0.00 C ATOM 560 CG2 VAL A 37 -33.926 12.139 -23.124 1.00 0.00 C ATOM 0 H VAL A 37 -34.426 11.720 -25.878 1.00 0.00 H new ATOM 0 HA VAL A 37 -36.948 12.593 -24.727 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.538 13.506 -22.856 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -35.851 11.454 -21.473 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.276 11.913 -22.436 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -36.239 10.567 -22.966 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -33.692 12.009 -22.067 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -33.727 11.209 -23.656 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.305 12.934 -23.538 1.00 0.00 H new ATOM 570 N VAL A 38 -36.451 15.058 -24.999 1.00 0.00 N ATOM 571 CA VAL A 38 -36.162 16.504 -24.966 1.00 0.00 C ATOM 572 C VAL A 38 -36.261 16.964 -23.511 1.00 0.00 C ATOM 573 O VAL A 38 -37.265 16.681 -22.850 1.00 0.00 O ATOM 574 CB VAL A 38 -37.142 17.331 -25.823 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.774 18.822 -25.827 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.184 16.874 -27.286 1.00 0.00 C ATOM 0 H VAL A 38 -37.440 14.831 -24.893 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.167 16.663 -25.381 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.117 17.174 -25.362 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.487 19.371 -26.441 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -36.802 19.206 -24.807 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.771 18.948 -26.235 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -37.890 17.492 -27.840 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.192 16.973 -27.727 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.500 15.832 -27.333 1.00 0.00 H new ATOM 586 N VAL A 39 -35.226 17.657 -23.018 1.00 0.00 N ATOM 587 CA VAL A 39 -35.141 18.169 -21.634 1.00 0.00 C ATOM 588 C VAL A 39 -34.835 19.682 -21.608 1.00 0.00 C ATOM 589 O VAL A 39 -35.704 20.458 -22.002 1.00 0.00 O ATOM 590 CB VAL A 39 -34.282 17.226 -20.753 1.00 0.00 C ATOM 591 CG1 VAL A 39 -32.865 16.982 -21.274 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.236 17.649 -19.276 1.00 0.00 C ATOM 0 H VAL A 39 -34.404 17.885 -23.578 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.113 18.134 -21.143 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.810 16.275 -20.821 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.338 16.312 -20.595 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -32.914 16.530 -22.265 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -32.331 17.930 -21.334 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.619 16.947 -18.716 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -33.811 18.650 -19.197 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -35.246 17.651 -18.866 1.00 0.00 H new ATOM 602 N ASP A 40 -33.655 20.144 -21.172 1.00 0.00 N ATOM 603 CA ASP A 40 -33.356 21.565 -20.874 1.00 0.00 C ATOM 604 C ASP A 40 -33.018 22.415 -22.126 1.00 0.00 C ATOM 605 O ASP A 40 -32.003 23.115 -22.187 1.00 0.00 O ATOM 606 CB ASP A 40 -32.252 21.624 -19.802 1.00 0.00 C ATOM 607 CG ASP A 40 -32.064 23.044 -19.229 1.00 0.00 C ATOM 608 OD1 ASP A 40 -33.080 23.725 -18.946 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.901 23.475 -19.037 1.00 0.00 O ATOM 0 H ASP A 40 -32.857 19.530 -21.010 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.265 22.026 -20.487 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.499 20.938 -18.992 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.311 21.282 -20.234 1.00 0.00 H new ATOM 614 N GLY A 41 -33.810 22.260 -23.190 1.00 0.00 N ATOM 615 CA GLY A 41 -33.493 22.751 -24.538 1.00 0.00 C ATOM 616 C GLY A 41 -32.530 21.815 -25.281 1.00 0.00 C ATOM 617 O GLY A 41 -31.939 22.193 -26.295 1.00 0.00 O ATOM 0 H GLY A 41 -34.709 21.780 -23.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.414 22.853 -25.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.050 23.744 -24.467 1.00 0.00 H new ATOM 621 N GLN A 42 -32.358 20.599 -24.752 1.00 0.00 N ATOM 622 CA GLN A 42 -31.384 19.591 -25.163 1.00 0.00 C ATOM 623 C GLN A 42 -32.108 18.323 -25.631 1.00 0.00 C ATOM 624 O GLN A 42 -33.207 18.031 -25.150 1.00 0.00 O ATOM 625 CB GLN A 42 -30.478 19.245 -23.967 1.00 0.00 C ATOM 626 CG GLN A 42 -29.886 20.421 -23.171 1.00 0.00 C ATOM 627 CD GLN A 42 -29.249 21.508 -24.037 1.00 0.00 C ATOM 628 OE1 GLN A 42 -28.410 21.255 -24.892 1.00 0.00 O ATOM 629 NE2 GLN A 42 -29.623 22.757 -23.849 1.00 0.00 N ATOM 0 H GLN A 42 -32.934 20.275 -23.975 1.00 0.00 H new ATOM 0 HA GLN A 42 -30.784 19.985 -25.983 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -31.051 18.625 -23.278 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.652 18.635 -24.334 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.675 20.870 -22.567 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -29.135 20.036 -22.481 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -30.321 22.979 -23.139 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -29.214 23.502 -24.413 1.00 0.00 H new ATOM 638 N PHE A 43 -31.483 17.546 -26.518 1.00 0.00 N ATOM 639 CA PHE A 43 -32.078 16.364 -27.152 1.00 0.00 C ATOM 640 C PHE A 43 -31.117 15.169 -27.139 1.00 0.00 C ATOM 641 O PHE A 43 -29.937 15.304 -27.475 1.00 0.00 O ATOM 642 CB PHE A 43 -32.476 16.722 -28.589 1.00 0.00 C ATOM 643 CG PHE A 43 -32.938 15.547 -29.436 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.259 15.076 -29.329 1.00 0.00 C ATOM 645 CD2 PHE A 43 -32.052 14.932 -30.344 1.00 0.00 C ATOM 646 CE1 PHE A 43 -34.711 14.060 -30.188 1.00 0.00 C ATOM 647 CE2 PHE A 43 -32.492 13.870 -31.157 1.00 0.00 C ATOM 648 CZ PHE A 43 -33.830 13.442 -31.089 1.00 0.00 C ATOM 0 H PHE A 43 -30.526 17.724 -26.824 1.00 0.00 H new ATOM 0 HA PHE A 43 -32.960 16.067 -26.585 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.274 17.463 -28.556 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -31.624 17.193 -29.080 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -34.924 15.494 -28.588 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -31.031 15.277 -30.416 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -35.746 13.752 -30.155 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -31.803 13.385 -31.832 1.00 0.00 H new ATOM 0 HZ PHE A 43 -34.178 12.642 -31.726 1.00 0.00 H new ATOM 658 N PHE A 44 -31.642 13.998 -26.775 1.00 0.00 N ATOM 659 CA PHE A 44 -30.905 12.731 -26.698 1.00 0.00 C ATOM 660 C PHE A 44 -31.706 11.580 -27.329 1.00 0.00 C ATOM 661 O PHE A 44 -32.935 11.610 -27.332 1.00 0.00 O ATOM 662 CB PHE A 44 -30.561 12.422 -25.228 1.00 0.00 C ATOM 663 CG PHE A 44 -29.933 13.584 -24.477 1.00 0.00 C ATOM 664 CD1 PHE A 44 -30.760 14.541 -23.859 1.00 0.00 C ATOM 665 CD2 PHE A 44 -28.536 13.759 -24.462 1.00 0.00 C ATOM 666 CE1 PHE A 44 -30.197 15.675 -23.259 1.00 0.00 C ATOM 667 CE2 PHE A 44 -27.974 14.893 -23.846 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.812 15.858 -23.259 1.00 0.00 C ATOM 0 H PHE A 44 -32.624 13.900 -26.517 1.00 0.00 H new ATOM 0 HA PHE A 44 -29.980 12.830 -27.266 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.471 12.119 -24.710 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.878 11.573 -25.197 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -31.831 14.401 -23.847 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -27.895 13.022 -24.924 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -30.837 16.411 -22.794 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -26.902 15.022 -23.824 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.384 16.741 -22.808 1.00 0.00 H new ATOM 678 N GLU A 45 -31.010 10.541 -27.797 1.00 0.00 N ATOM 679 CA GLU A 45 -31.550 9.286 -28.357 1.00 0.00 C ATOM 680 C GLU A 45 -30.773 8.109 -27.756 1.00 0.00 C ATOM 681 O GLU A 45 -29.541 8.141 -27.674 1.00 0.00 O ATOM 682 CB GLU A 45 -31.404 9.256 -29.889 1.00 0.00 C ATOM 683 CG GLU A 45 -32.349 10.209 -30.636 1.00 0.00 C ATOM 684 CD GLU A 45 -33.674 9.534 -31.035 1.00 0.00 C ATOM 685 OE1 GLU A 45 -34.184 8.687 -30.267 1.00 0.00 O ATOM 686 OE2 GLU A 45 -34.198 9.867 -32.126 1.00 0.00 O ATOM 0 H GLU A 45 -29.990 10.548 -27.798 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.610 9.217 -28.112 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.375 9.507 -30.149 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.582 8.239 -30.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -32.561 11.073 -30.006 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.851 10.581 -31.531 1.00 0.00 H new ATOM 693 N GLY A 46 -31.491 7.069 -27.333 1.00 0.00 N ATOM 694 CA GLY A 46 -30.940 5.889 -26.667 1.00 0.00 C ATOM 695 C GLY A 46 -31.523 4.599 -27.224 1.00 0.00 C ATOM 696 O GLY A 46 -32.737 4.412 -27.218 1.00 0.00 O ATOM 0 H GLY A 46 -32.503 7.023 -27.448 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.856 5.878 -26.785 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.144 5.947 -25.598 1.00 0.00 H new ATOM 700 N SER A 47 -30.661 3.714 -27.722 1.00 0.00 N ATOM 701 CA SER A 47 -31.044 2.483 -28.425 1.00 0.00 C ATOM 702 C SER A 47 -30.827 1.249 -27.552 1.00 0.00 C ATOM 703 O SER A 47 -29.706 0.948 -27.136 1.00 0.00 O ATOM 704 CB SER A 47 -30.280 2.362 -29.745 1.00 0.00 C ATOM 705 OG SER A 47 -28.878 2.504 -29.579 1.00 0.00 O ATOM 0 H SER A 47 -29.651 3.833 -27.648 1.00 0.00 H new ATOM 0 HA SER A 47 -32.110 2.541 -28.647 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.492 1.393 -30.196 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.639 3.122 -30.439 1.00 0.00 H new ATOM 0 HG SER A 47 -28.435 2.417 -30.449 1.00 0.00 H new ATOM 711 N GLY A 48 -31.926 0.585 -27.202 1.00 0.00 N ATOM 712 CA GLY A 48 -31.953 -0.564 -26.285 1.00 0.00 C ATOM 713 C GLY A 48 -32.816 -1.747 -26.725 1.00 0.00 C ATOM 714 O GLY A 48 -33.866 -1.549 -27.333 1.00 0.00 O ATOM 0 H GLY A 48 -32.850 0.834 -27.555 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.931 -0.917 -26.144 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.308 -0.221 -25.313 1.00 0.00 H new ATOM 718 N ARG A 49 -32.397 -2.986 -26.417 1.00 0.00 N ATOM 719 CA ARG A 49 -33.199 -4.217 -26.632 1.00 0.00 C ATOM 720 C ARG A 49 -34.674 -4.160 -26.169 1.00 0.00 C ATOM 721 O ARG A 49 -35.488 -4.903 -26.709 1.00 0.00 O ATOM 722 CB ARG A 49 -32.503 -5.465 -26.041 1.00 0.00 C ATOM 723 CG ARG A 49 -31.669 -6.295 -27.034 1.00 0.00 C ATOM 724 CD ARG A 49 -30.254 -5.760 -27.317 1.00 0.00 C ATOM 725 NE ARG A 49 -30.131 -5.056 -28.609 1.00 0.00 N ATOM 726 CZ ARG A 49 -29.882 -5.604 -29.789 1.00 0.00 C ATOM 727 NH1 ARG A 49 -29.920 -6.885 -30.013 1.00 0.00 N ATOM 728 NH2 ARG A 49 -29.556 -4.870 -30.805 1.00 0.00 N ATOM 0 H ARG A 49 -31.482 -3.170 -26.006 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.247 -4.294 -27.718 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.853 -5.145 -25.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -33.265 -6.111 -25.605 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -31.585 -7.312 -26.650 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -32.212 -6.354 -27.977 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -29.965 -5.081 -26.515 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -29.550 -6.592 -27.299 1.00 0.00 H new ATOM 0 HE ARG A 49 -30.250 -4.043 -28.591 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -30.152 -7.528 -29.256 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -29.718 -7.246 -30.945 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -29.488 -3.857 -30.702 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -29.367 -5.304 -31.708 1.00 0.00 H new ATOM 742 N ASN A 50 -35.026 -3.291 -25.213 1.00 0.00 N ATOM 743 CA ASN A 50 -36.385 -2.758 -24.984 1.00 0.00 C ATOM 744 C ASN A 50 -36.298 -1.427 -24.196 1.00 0.00 C ATOM 745 O ASN A 50 -35.202 -1.042 -23.793 1.00 0.00 O ATOM 746 CB ASN A 50 -37.275 -3.809 -24.279 1.00 0.00 C ATOM 747 CG ASN A 50 -38.755 -3.678 -24.636 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.286 -2.595 -24.850 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.469 -4.776 -24.717 1.00 0.00 N ATOM 0 H ASN A 50 -34.347 -2.922 -24.548 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.859 -2.544 -25.942 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.930 -4.807 -24.547 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.158 -3.711 -23.200 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.459 -4.724 -24.957 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -39.034 -5.681 -24.540 1.00 0.00 H new ATOM 756 N LYS A 51 -37.413 -0.738 -23.915 1.00 0.00 N ATOM 757 CA LYS A 51 -37.501 0.526 -23.131 1.00 0.00 C ATOM 758 C LYS A 51 -36.765 0.512 -21.791 1.00 0.00 C ATOM 759 O LYS A 51 -36.109 1.501 -21.489 1.00 0.00 O ATOM 760 CB LYS A 51 -38.974 0.921 -22.955 1.00 0.00 C ATOM 761 CG LYS A 51 -39.477 1.586 -24.249 1.00 0.00 C ATOM 762 CD LYS A 51 -41.003 1.775 -24.288 1.00 0.00 C ATOM 763 CE LYS A 51 -41.805 0.470 -24.430 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.576 -0.202 -25.738 1.00 0.00 N ATOM 0 H LYS A 51 -38.328 -1.053 -24.239 1.00 0.00 H new ATOM 0 HA LYS A 51 -36.974 1.280 -23.715 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.575 0.040 -22.727 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.081 1.606 -22.114 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -38.995 2.558 -24.360 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.172 0.980 -25.102 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.317 2.282 -23.375 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.254 2.433 -25.120 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.531 -0.210 -23.623 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.867 0.687 -24.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.259 -0.977 -25.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.699 0.486 -26.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -40.610 -0.585 -25.767 1.00 0.00 H new ATOM 778 N LYS A 52 -36.738 -0.607 -21.057 1.00 0.00 N ATOM 779 CA LYS A 52 -35.888 -0.801 -19.854 1.00 0.00 C ATOM 780 C LYS A 52 -34.382 -0.573 -20.055 1.00 0.00 C ATOM 781 O LYS A 52 -33.643 -0.457 -19.078 1.00 0.00 O ATOM 782 CB LYS A 52 -36.176 -2.161 -19.202 1.00 0.00 C ATOM 783 CG LYS A 52 -36.092 -3.403 -20.103 1.00 0.00 C ATOM 784 CD LYS A 52 -34.739 -3.721 -20.755 1.00 0.00 C ATOM 785 CE LYS A 52 -34.804 -5.086 -21.451 1.00 0.00 C ATOM 786 NZ LYS A 52 -33.449 -5.642 -21.713 1.00 0.00 N ATOM 0 H LYS A 52 -37.311 -1.421 -21.277 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.179 -0.001 -19.174 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.477 -2.295 -18.376 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -37.176 -2.124 -18.770 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -36.390 -4.268 -19.511 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.829 -3.291 -20.898 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -34.482 -2.946 -21.478 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.953 -3.725 -20.000 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.368 -5.783 -20.831 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -35.344 -4.988 -22.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -33.538 -6.565 -22.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -32.919 -4.990 -22.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -32.942 -5.760 -20.813 1.00 0.00 H new ATOM 800 N LEU A 53 -33.947 -0.492 -21.315 1.00 0.00 N ATOM 801 CA LEU A 53 -32.575 -0.278 -21.754 1.00 0.00 C ATOM 802 C LEU A 53 -32.485 0.934 -22.705 1.00 0.00 C ATOM 803 O LEU A 53 -31.599 1.763 -22.545 1.00 0.00 O ATOM 804 CB LEU A 53 -32.063 -1.597 -22.368 1.00 0.00 C ATOM 805 CG LEU A 53 -30.639 -1.575 -22.953 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.596 -1.038 -21.974 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.231 -2.995 -23.339 1.00 0.00 C ATOM 0 H LEU A 53 -34.589 -0.580 -22.103 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.926 -0.023 -20.916 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.105 -2.370 -21.600 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.752 -1.896 -23.158 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.667 -0.909 -23.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.614 -1.048 -22.447 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.853 -0.017 -21.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.576 -1.665 -21.083 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.223 -2.984 -23.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.253 -3.633 -22.455 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.926 -3.383 -24.084 1.00 0.00 H new ATOM 819 N ALA A 54 -33.410 1.102 -23.655 1.00 0.00 N ATOM 820 CA ALA A 54 -33.516 2.280 -24.518 1.00 0.00 C ATOM 821 C ALA A 54 -33.628 3.572 -23.699 1.00 0.00 C ATOM 822 O ALA A 54 -32.818 4.491 -23.841 1.00 0.00 O ATOM 823 CB ALA A 54 -34.706 2.081 -25.468 1.00 0.00 C ATOM 0 H ALA A 54 -34.126 0.402 -23.849 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.607 2.388 -25.110 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.801 2.950 -26.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.543 1.189 -26.074 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.620 1.962 -24.886 1.00 0.00 H new ATOM 829 N LYS A 55 -34.615 3.614 -22.791 1.00 0.00 N ATOM 830 CA LYS A 55 -34.725 4.640 -21.754 1.00 0.00 C ATOM 831 C LYS A 55 -33.460 4.721 -20.905 1.00 0.00 C ATOM 832 O LYS A 55 -33.059 5.829 -20.616 1.00 0.00 O ATOM 833 CB LYS A 55 -35.993 4.443 -20.904 1.00 0.00 C ATOM 834 CG LYS A 55 -36.362 5.729 -20.161 1.00 0.00 C ATOM 835 CD LYS A 55 -37.864 6.019 -20.103 1.00 0.00 C ATOM 836 CE LYS A 55 -38.526 6.117 -21.484 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.910 6.653 -21.372 1.00 0.00 N ATOM 0 H LYS A 55 -35.367 2.925 -22.760 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.825 5.605 -22.251 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.821 4.139 -21.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.833 3.638 -20.187 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -35.977 5.669 -19.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.861 6.569 -20.643 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.355 5.233 -19.529 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -38.024 6.954 -19.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.933 6.763 -22.131 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.550 5.133 -21.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.505 6.237 -22.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.302 6.410 -20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.892 7.687 -21.481 1.00 0.00 H new ATOM 851 N ALA A 56 -32.832 3.616 -20.489 1.00 0.00 N ATOM 852 CA ALA A 56 -31.599 3.630 -19.695 1.00 0.00 C ATOM 853 C ALA A 56 -30.472 4.429 -20.360 1.00 0.00 C ATOM 854 O ALA A 56 -29.900 5.306 -19.732 1.00 0.00 O ATOM 855 CB ALA A 56 -31.159 2.201 -19.347 1.00 0.00 C ATOM 0 H ALA A 56 -33.170 2.676 -20.697 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.824 4.151 -18.765 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.243 2.236 -18.758 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.943 1.709 -18.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.979 1.642 -20.265 1.00 0.00 H new ATOM 861 N ARG A 57 -30.177 4.138 -21.629 1.00 0.00 N ATOM 862 CA ARG A 57 -29.269 4.827 -22.561 1.00 0.00 C ATOM 863 C ARG A 57 -29.608 6.318 -22.718 1.00 0.00 C ATOM 864 O ARG A 57 -28.760 7.176 -22.467 1.00 0.00 O ATOM 865 CB ARG A 57 -29.319 4.071 -23.912 1.00 0.00 C ATOM 866 CG ARG A 57 -28.989 2.565 -23.818 1.00 0.00 C ATOM 867 CD ARG A 57 -27.588 2.202 -24.292 1.00 0.00 C ATOM 868 NE ARG A 57 -27.519 2.160 -25.767 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.474 2.373 -26.544 1.00 0.00 C ATOM 870 NH1 ARG A 57 -25.293 2.653 -26.072 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.605 2.306 -27.835 1.00 0.00 N ATOM 0 H ARG A 57 -30.611 3.332 -22.079 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.254 4.811 -22.163 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.315 4.185 -24.341 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.619 4.541 -24.603 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.105 2.243 -22.783 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.716 2.008 -24.409 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.872 2.931 -23.912 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -27.303 1.232 -23.884 1.00 0.00 H new ATOM 0 HE ARG A 57 -28.391 1.938 -26.247 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.148 2.715 -25.064 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.513 2.810 -26.710 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -27.514 2.089 -28.245 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.799 2.470 -28.439 1.00 0.00 H new ATOM 885 N ALA A 58 -30.850 6.622 -23.108 1.00 0.00 N ATOM 886 CA ALA A 58 -31.386 7.986 -23.215 1.00 0.00 C ATOM 887 C ALA A 58 -31.251 8.780 -21.900 1.00 0.00 C ATOM 888 O ALA A 58 -30.646 9.854 -21.872 1.00 0.00 O ATOM 889 CB ALA A 58 -32.842 7.901 -23.686 1.00 0.00 C ATOM 0 H ALA A 58 -31.531 5.907 -23.366 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.798 8.540 -23.946 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.256 8.906 -23.771 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.882 7.409 -24.658 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.425 7.328 -22.965 1.00 0.00 H new ATOM 895 N ALA A 59 -31.757 8.204 -20.805 1.00 0.00 N ATOM 896 CA ALA A 59 -31.576 8.652 -19.429 1.00 0.00 C ATOM 897 C ALA A 59 -30.110 8.915 -19.101 1.00 0.00 C ATOM 898 O ALA A 59 -29.792 10.023 -18.720 1.00 0.00 O ATOM 899 CB ALA A 59 -32.151 7.611 -18.454 1.00 0.00 C ATOM 0 H ALA A 59 -32.336 7.366 -20.863 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.114 9.594 -19.319 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.011 7.956 -17.429 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.215 7.478 -18.650 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.635 6.660 -18.591 1.00 0.00 H new ATOM 905 N GLN A 60 -29.218 7.943 -19.271 1.00 0.00 N ATOM 906 CA GLN A 60 -27.786 8.037 -18.980 1.00 0.00 C ATOM 907 C GLN A 60 -27.121 9.234 -19.682 1.00 0.00 C ATOM 908 O GLN A 60 -26.424 10.024 -19.038 1.00 0.00 O ATOM 909 CB GLN A 60 -27.140 6.688 -19.366 1.00 0.00 C ATOM 910 CG GLN A 60 -27.044 5.744 -18.153 1.00 0.00 C ATOM 911 CD GLN A 60 -26.508 4.356 -18.511 1.00 0.00 C ATOM 912 OE1 GLN A 60 -27.065 3.332 -18.140 1.00 0.00 O ATOM 913 NE2 GLN A 60 -25.400 4.252 -19.216 1.00 0.00 N ATOM 0 H GLN A 60 -29.483 7.026 -19.631 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.636 8.225 -17.917 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.727 6.214 -20.153 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.144 6.863 -19.773 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.396 6.194 -17.401 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -28.031 5.640 -17.702 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.918 5.092 -19.536 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -25.024 3.331 -19.442 1.00 0.00 H new ATOM 922 N SER A 61 -27.382 9.399 -20.981 1.00 0.00 N ATOM 923 CA SER A 61 -26.972 10.571 -21.774 1.00 0.00 C ATOM 924 C SER A 61 -27.462 11.899 -21.170 1.00 0.00 C ATOM 925 O SER A 61 -26.663 12.783 -20.824 1.00 0.00 O ATOM 926 CB SER A 61 -27.453 10.429 -23.227 1.00 0.00 C ATOM 927 OG SER A 61 -27.035 9.199 -23.801 1.00 0.00 O ATOM 0 H SER A 61 -27.896 8.708 -21.528 1.00 0.00 H new ATOM 0 HA SER A 61 -25.883 10.601 -21.757 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.541 10.494 -23.258 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.067 11.258 -23.821 1.00 0.00 H new ATOM 0 HG SER A 61 -27.588 8.470 -23.450 1.00 0.00 H new ATOM 933 N ALA A 62 -28.787 12.014 -21.008 1.00 0.00 N ATOM 934 CA ALA A 62 -29.452 13.168 -20.416 1.00 0.00 C ATOM 935 C ALA A 62 -28.903 13.486 -19.017 1.00 0.00 C ATOM 936 O ALA A 62 -28.357 14.569 -18.837 1.00 0.00 O ATOM 937 CB ALA A 62 -30.964 12.920 -20.423 1.00 0.00 C ATOM 0 H ALA A 62 -29.438 11.283 -21.295 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.246 14.057 -21.012 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.475 13.776 -19.983 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.305 12.782 -21.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.189 12.025 -19.842 1.00 0.00 H new ATOM 943 N LEU A 63 -28.973 12.528 -18.080 1.00 0.00 N ATOM 944 CA LEU A 63 -28.409 12.535 -16.723 1.00 0.00 C ATOM 945 C LEU A 63 -27.020 13.161 -16.716 1.00 0.00 C ATOM 946 O LEU A 63 -26.832 14.183 -16.064 1.00 0.00 O ATOM 947 CB LEU A 63 -28.335 11.097 -16.146 1.00 0.00 C ATOM 948 CG LEU A 63 -29.525 10.597 -15.303 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.889 11.164 -15.670 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.626 9.070 -15.309 1.00 0.00 C ATOM 0 H LEU A 63 -29.467 11.656 -18.269 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.070 13.133 -16.095 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.203 10.408 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.437 11.029 -15.531 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.286 10.975 -14.309 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.648 10.742 -15.011 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.874 12.248 -15.558 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.123 10.909 -16.704 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.477 8.759 -14.703 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.761 8.718 -16.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.712 8.643 -14.896 1.00 0.00 H new ATOM 962 N ALA A 64 -26.069 12.598 -17.472 1.00 0.00 N ATOM 963 CA ALA A 64 -24.714 13.136 -17.544 1.00 0.00 C ATOM 964 C ALA A 64 -24.719 14.630 -17.925 1.00 0.00 C ATOM 965 O ALA A 64 -24.225 15.461 -17.150 1.00 0.00 O ATOM 966 CB ALA A 64 -23.889 12.275 -18.506 1.00 0.00 C ATOM 0 H ALA A 64 -26.219 11.766 -18.043 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.246 13.090 -16.561 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.874 12.668 -18.567 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.859 11.248 -18.141 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.346 12.295 -19.495 1.00 0.00 H new ATOM 972 N THR A 65 -25.326 14.984 -19.068 1.00 0.00 N ATOM 973 CA THR A 65 -25.462 16.393 -19.481 1.00 0.00 C ATOM 974 C THR A 65 -26.146 17.280 -18.434 1.00 0.00 C ATOM 975 O THR A 65 -25.494 18.157 -17.864 1.00 0.00 O ATOM 976 CB THR A 65 -26.132 16.526 -20.859 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.333 15.895 -21.838 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.311 17.985 -21.297 1.00 0.00 C ATOM 0 H THR A 65 -25.731 14.316 -19.724 1.00 0.00 H new ATOM 0 HA THR A 65 -24.442 16.768 -19.568 1.00 0.00 H new ATOM 0 HB THR A 65 -27.114 16.062 -20.767 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.571 16.237 -22.725 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.789 18.015 -22.276 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.935 18.508 -20.573 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.337 18.470 -21.354 1.00 0.00 H new ATOM 986 N VAL A 66 -27.453 17.118 -18.202 1.00 0.00 N ATOM 987 CA VAL A 66 -28.239 17.976 -17.298 1.00 0.00 C ATOM 988 C VAL A 66 -27.674 18.057 -15.877 1.00 0.00 C ATOM 989 O VAL A 66 -27.630 19.136 -15.291 1.00 0.00 O ATOM 990 CB VAL A 66 -29.758 17.706 -17.344 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.279 17.763 -18.788 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.219 16.385 -16.724 1.00 0.00 C ATOM 0 H VAL A 66 -28.004 16.380 -18.640 1.00 0.00 H new ATOM 0 HA VAL A 66 -28.122 18.981 -17.704 1.00 0.00 H new ATOM 0 HB VAL A 66 -30.178 18.501 -16.727 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.352 17.570 -18.796 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -30.085 18.751 -19.206 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.770 17.009 -19.388 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.302 16.300 -16.812 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.746 15.553 -17.246 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.937 16.359 -15.671 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.198 16.958 -15.293 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.467 17.008 -14.021 1.00 0.00 C ATOM 1004 C PHE A 67 -25.181 17.847 -14.066 1.00 0.00 C ATOM 1005 O PHE A 67 -24.926 18.576 -13.110 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.263 15.625 -13.420 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.540 14.825 -13.171 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.832 15.378 -13.355 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.423 13.480 -12.779 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.972 14.569 -13.257 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.570 12.684 -12.628 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.839 13.216 -12.922 1.00 0.00 C ATOM 0 H PHE A 67 -27.304 16.020 -15.679 1.00 0.00 H new ATOM 0 HA PHE A 67 -27.116 17.552 -13.334 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.618 15.050 -14.084 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.732 15.733 -12.474 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.939 16.431 -13.572 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.447 13.057 -12.593 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.951 14.988 -13.439 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.478 11.664 -12.286 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.711 12.580 -12.889 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.374 17.793 -15.140 1.00 0.00 N ATOM 1023 CA ASN A 68 -23.351 18.826 -15.413 1.00 0.00 C ATOM 1024 C ASN A 68 -23.903 20.273 -15.484 1.00 0.00 C ATOM 1025 O ASN A 68 -23.228 21.203 -15.039 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.474 18.406 -16.617 1.00 0.00 C ATOM 1027 CG ASN A 68 -22.235 19.492 -17.656 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -21.206 20.152 -17.686 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -23.178 19.692 -18.547 1.00 0.00 N ATOM 0 H ASN A 68 -24.408 17.047 -15.835 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.696 18.876 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.509 18.066 -16.242 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.943 17.553 -17.108 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -23.055 20.401 -19.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -24.034 19.138 -18.517 1.00 0.00 H new ATOM 1036 N LEU A 69 -25.123 20.475 -16.003 1.00 0.00 N ATOM 1037 CA LEU A 69 -25.840 21.768 -15.919 1.00 0.00 C ATOM 1038 C LEU A 69 -26.354 22.082 -14.496 1.00 0.00 C ATOM 1039 O LEU A 69 -26.695 23.229 -14.199 1.00 0.00 O ATOM 1040 CB LEU A 69 -27.029 21.826 -16.903 1.00 0.00 C ATOM 1041 CG LEU A 69 -26.755 21.327 -18.328 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -28.018 21.423 -19.182 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -25.667 22.150 -19.023 1.00 0.00 C ATOM 0 H LEU A 69 -25.646 19.750 -16.494 1.00 0.00 H new ATOM 0 HA LEU A 69 -25.102 22.523 -16.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -27.847 21.239 -16.486 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -27.375 22.858 -16.962 1.00 0.00 H new ATOM 0 HG LEU A 69 -26.426 20.292 -18.234 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.804 21.065 -20.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -28.804 20.812 -18.739 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -28.348 22.461 -19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -25.505 21.763 -20.029 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -25.981 23.192 -19.081 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -24.740 22.082 -18.454 1.00 0.00 H new