USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 558 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 35 GLN : amide:sc= 0.445 K(o=1.5,f=0.55) USER MOD Set 1.2: A 48 GLN : amide:sc= 1.09 K(o=1.5,f=-5.2!) USER MOD Set 2.1: A 25 TYR OH : rot 15:sc= 0.039 USER MOD Set 2.2: A 32 GLN : amide:sc= -2.27 K(o=0.061,f=-0.72!) USER MOD Set 2.3: A 39 ASN : amide:sc= 0.461 K(o=0.061,f=-1.9) USER MOD Set 2.4: A 44 THR OG1 : rot -107:sc= 0.905 USER MOD Set 2.5: A 72 THR OG1 : rot -105:sc= 0.923 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 179:sc= 1.03 USER MOD Single : A 26 LYS NZ :NH3+ -133:sc= 0.914 (180deg=-0.676) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00833 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0.858 (180deg=0.00819) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 ASN : amide:sc= 0.0379 K(o=0.038,f=-7.1!) USER MOD Single : A 54 CYS SG : rot 100:sc= -1.26 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 2.09 (180deg=0.622) USER MOD Single : A 56 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= 1.2 (180deg=1.13) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 70 MET CE :methyl 180:sc=-0.00114 (180deg=-0.00114) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.871 (180deg=-0.954) USER MOD Single : A 74 CYS SG : rot 170:sc= -0.143 USER MOD Single : A 75 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 6 1.939 -10.847 3.637 1.00 0.00 N ATOM 69 CA ILE A 6 1.416 -11.965 4.433 1.00 0.00 C ATOM 70 C ILE A 6 1.193 -11.571 5.893 1.00 0.00 C ATOM 71 O ILE A 6 0.043 -11.526 6.317 1.00 0.00 O ATOM 72 CB ILE A 6 2.259 -13.237 4.267 1.00 0.00 C ATOM 73 CG1 ILE A 6 2.046 -14.266 5.407 1.00 0.00 C ATOM 74 CG2 ILE A 6 3.761 -12.916 4.104 1.00 0.00 C ATOM 75 CD1 ILE A 6 0.614 -14.550 5.909 1.00 0.00 C ATOM 0 HA ILE A 6 0.431 -12.212 4.037 1.00 0.00 H new ATOM 0 HB ILE A 6 1.903 -13.702 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.472 -15.214 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.633 -13.933 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.321 -13.844 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.906 -12.293 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.117 -12.384 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.648 -15.293 6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.173 -13.629 6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.008 -14.929 5.086 1.00 0.00 H new ATOM 87 N LEU A 7 2.232 -11.214 6.645 1.00 0.00 N ATOM 88 CA LEU A 7 2.127 -10.918 8.078 1.00 0.00 C ATOM 89 C LEU A 7 1.252 -9.712 8.476 1.00 0.00 C ATOM 90 O LEU A 7 1.082 -9.446 9.666 1.00 0.00 O ATOM 91 CB LEU A 7 3.532 -10.943 8.713 1.00 0.00 C ATOM 92 CG LEU A 7 4.621 -10.096 8.024 1.00 0.00 C ATOM 93 CD1 LEU A 7 4.301 -8.600 8.031 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.951 -10.306 8.747 1.00 0.00 C ATOM 0 H LEU A 7 3.179 -11.120 6.277 1.00 0.00 H new ATOM 0 HA LEU A 7 1.535 -11.722 8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.444 -10.608 9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.874 -11.978 8.742 1.00 0.00 H new ATOM 0 HG LEU A 7 4.672 -10.423 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.102 -8.054 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.362 -8.426 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.210 -8.252 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.725 -9.710 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.852 -9.998 9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.226 -11.360 8.705 1.00 0.00 H new ATOM 106 N ASP A 8 0.609 -9.079 7.495 1.00 0.00 N ATOM 107 CA ASP A 8 -0.416 -8.041 7.651 1.00 0.00 C ATOM 108 C ASP A 8 -1.795 -8.456 7.108 1.00 0.00 C ATOM 109 O ASP A 8 -2.816 -8.077 7.681 1.00 0.00 O ATOM 110 CB ASP A 8 0.094 -6.692 7.130 1.00 0.00 C ATOM 111 CG ASP A 8 0.314 -6.513 5.620 1.00 0.00 C ATOM 112 OD1 ASP A 8 -0.645 -6.623 4.824 1.00 0.00 O ATOM 113 OD2 ASP A 8 1.455 -6.171 5.228 1.00 0.00 O ATOM 0 H ASP A 8 0.798 -9.287 6.514 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.597 -7.911 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.611 -5.926 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.041 -6.483 7.628 1.00 0.00 H new ATOM 118 N ILE A 9 -1.831 -9.394 6.156 1.00 0.00 N ATOM 119 CA ILE A 9 -3.052 -10.084 5.683 1.00 0.00 C ATOM 120 C ILE A 9 -3.316 -11.417 6.381 1.00 0.00 C ATOM 121 O ILE A 9 -4.190 -12.200 5.997 1.00 0.00 O ATOM 122 CB ILE A 9 -3.097 -10.285 4.154 1.00 0.00 C ATOM 123 CG1 ILE A 9 -2.112 -11.349 3.619 1.00 0.00 C ATOM 124 CG2 ILE A 9 -2.890 -8.978 3.394 1.00 0.00 C ATOM 125 CD1 ILE A 9 -2.688 -12.089 2.411 1.00 0.00 C ATOM 0 H ILE A 9 -0.989 -9.709 5.674 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.851 -9.396 5.958 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.104 -10.659 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.174 -10.870 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.882 -12.064 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.930 -9.170 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.674 -8.271 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.918 -8.558 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.969 -12.829 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.613 -12.589 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.893 -11.377 1.612 1.00 0.00 H new ATOM 137 N ARG A 10 -2.540 -11.691 7.422 1.00 0.00 N ATOM 138 CA ARG A 10 -2.399 -12.982 8.118 1.00 0.00 C ATOM 139 C ARG A 10 -3.622 -13.492 8.861 1.00 0.00 C ATOM 140 O ARG A 10 -3.449 -14.435 9.625 1.00 0.00 O ATOM 141 CB ARG A 10 -1.171 -12.940 9.042 1.00 0.00 C ATOM 142 CG ARG A 10 -1.271 -12.002 10.251 1.00 0.00 C ATOM 143 CD ARG A 10 -2.013 -12.609 11.459 1.00 0.00 C ATOM 144 NE ARG A 10 -1.431 -12.085 12.710 1.00 0.00 N ATOM 145 CZ ARG A 10 -1.961 -12.044 13.917 1.00 0.00 C ATOM 146 NH1 ARG A 10 -3.172 -12.451 14.170 1.00 0.00 N ATOM 147 NH2 ARG A 10 -1.265 -11.575 14.914 1.00 0.00 N ATOM 0 H ARG A 10 -1.947 -10.973 7.838 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.267 -13.714 7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.980 -13.950 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.305 -12.645 8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.265 -11.718 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.781 -11.088 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.074 -12.363 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.936 -13.696 11.437 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.489 -11.702 12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.753 -12.821 13.418 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.539 -12.400 15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.314 -11.241 14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.672 -11.542 15.849 1.00 0.00 H new ATOM 161 N GLN A 11 -4.794 -12.861 8.692 1.00 0.00 N ATOM 162 CA GLN A 11 -6.093 -13.042 9.375 1.00 0.00 C ATOM 163 C GLN A 11 -6.118 -14.222 10.361 1.00 0.00 C ATOM 164 O GLN A 11 -6.219 -14.036 11.572 1.00 0.00 O ATOM 165 CB GLN A 11 -7.173 -13.171 8.278 1.00 0.00 C ATOM 166 CG GLN A 11 -8.615 -13.312 8.803 1.00 0.00 C ATOM 167 CD GLN A 11 -9.637 -13.440 7.670 1.00 0.00 C ATOM 168 OE1 GLN A 11 -9.489 -12.887 6.596 1.00 0.00 O ATOM 169 NE2 GLN A 11 -10.719 -14.165 7.855 1.00 0.00 N ATOM 0 H GLN A 11 -4.867 -12.124 7.991 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.287 -12.175 10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.121 -12.295 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.940 -14.038 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.680 -14.188 9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.862 -12.445 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.869 -14.640 8.745 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.408 -14.253 7.108 1.00 0.00 H new ATOM 178 N GLY A 12 -5.932 -15.426 9.816 1.00 0.00 N ATOM 179 CA GLY A 12 -5.649 -16.654 10.548 1.00 0.00 C ATOM 180 C GLY A 12 -5.949 -17.872 9.659 1.00 0.00 C ATOM 181 O GLY A 12 -6.761 -18.698 10.064 1.00 0.00 O ATOM 0 H GLY A 12 -5.977 -15.574 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.605 -16.669 10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.254 -16.696 11.454 1.00 0.00 H new ATOM 185 N PRO A 13 -5.317 -17.973 8.466 1.00 0.00 N ATOM 186 CA PRO A 13 -5.602 -18.855 7.311 1.00 0.00 C ATOM 187 C PRO A 13 -5.512 -20.389 7.508 1.00 0.00 C ATOM 188 O PRO A 13 -5.130 -21.121 6.601 1.00 0.00 O ATOM 189 CB PRO A 13 -4.659 -18.340 6.210 1.00 0.00 C ATOM 190 CG PRO A 13 -3.448 -17.841 6.994 1.00 0.00 C ATOM 191 CD PRO A 13 -4.082 -17.245 8.222 1.00 0.00 C ATOM 0 HA PRO A 13 -6.664 -18.781 7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.388 -19.130 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.118 -17.542 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.763 -18.652 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.877 -17.102 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.412 -17.326 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.284 -16.184 8.074 1.00 0.00 H new ATOM 199 N LYS A 14 -5.853 -20.900 8.691 1.00 0.00 N ATOM 200 CA LYS A 14 -5.872 -22.343 9.034 1.00 0.00 C ATOM 201 C LYS A 14 -6.472 -23.321 8.000 1.00 0.00 C ATOM 202 O LYS A 14 -5.986 -24.447 7.945 1.00 0.00 O ATOM 203 CB LYS A 14 -6.585 -22.563 10.372 1.00 0.00 C ATOM 204 CG LYS A 14 -5.794 -22.064 11.588 1.00 0.00 C ATOM 205 CD LYS A 14 -6.571 -22.378 12.876 1.00 0.00 C ATOM 206 CE LYS A 14 -5.755 -22.138 14.153 1.00 0.00 C ATOM 207 NZ LYS A 14 -5.317 -20.725 14.293 1.00 0.00 N ATOM 0 H LYS A 14 -6.136 -20.309 9.473 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.811 -22.590 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.550 -22.056 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.787 -23.627 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.814 -22.541 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.623 -20.990 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.471 -21.764 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.896 -23.418 12.851 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.354 -22.417 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.880 -22.787 14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.770 -20.616 15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.723 -20.464 13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.151 -20.105 14.326 1.00 0.00 H new ATOM 221 N GLU A 15 -7.503 -22.941 7.236 1.00 0.00 N ATOM 222 CA GLU A 15 -8.294 -23.875 6.410 1.00 0.00 C ATOM 223 C GLU A 15 -8.589 -23.529 4.923 1.00 0.00 C ATOM 224 O GLU A 15 -8.869 -24.475 4.174 1.00 0.00 O ATOM 225 CB GLU A 15 -9.593 -24.232 7.166 1.00 0.00 C ATOM 226 CG GLU A 15 -10.455 -23.070 7.707 1.00 0.00 C ATOM 227 CD GLU A 15 -11.010 -22.118 6.637 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.527 -22.617 5.609 1.00 0.00 O ATOM 229 OE2 GLU A 15 -10.884 -20.894 6.838 1.00 0.00 O ATOM 0 H GLU A 15 -7.818 -21.973 7.170 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.621 -24.723 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.216 -24.828 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.326 -24.871 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.291 -23.489 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.857 -22.491 8.411 1.00 0.00 H new ATOM 236 N PRO A 16 -8.517 -22.280 4.408 1.00 0.00 N ATOM 237 CA PRO A 16 -8.843 -21.954 3.014 1.00 0.00 C ATOM 238 C PRO A 16 -7.611 -22.183 2.115 1.00 0.00 C ATOM 239 O PRO A 16 -7.126 -21.266 1.451 1.00 0.00 O ATOM 240 CB PRO A 16 -9.316 -20.498 3.078 1.00 0.00 C ATOM 241 CG PRO A 16 -8.392 -19.888 4.125 1.00 0.00 C ATOM 242 CD PRO A 16 -8.102 -21.050 5.072 1.00 0.00 C ATOM 0 HA PRO A 16 -9.615 -22.583 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.220 -19.999 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.363 -20.426 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.478 -19.500 3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.869 -19.057 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.041 -21.087 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.641 -20.922 6.010 1.00 0.00 H new ATOM 250 N PHE A 17 -7.060 -23.408 2.156 1.00 0.00 N ATOM 251 CA PHE A 17 -5.748 -23.763 1.597 1.00 0.00 C ATOM 252 C PHE A 17 -5.439 -23.147 0.230 1.00 0.00 C ATOM 253 O PHE A 17 -4.629 -22.233 0.187 1.00 0.00 O ATOM 254 CB PHE A 17 -5.497 -25.284 1.626 1.00 0.00 C ATOM 255 CG PHE A 17 -4.441 -25.737 2.626 1.00 0.00 C ATOM 256 CD1 PHE A 17 -4.571 -25.437 3.999 1.00 0.00 C ATOM 257 CD2 PHE A 17 -3.309 -26.452 2.180 1.00 0.00 C ATOM 258 CE1 PHE A 17 -3.564 -25.823 4.905 1.00 0.00 C ATOM 259 CE2 PHE A 17 -2.314 -26.853 3.091 1.00 0.00 C ATOM 260 CZ PHE A 17 -2.435 -26.522 4.446 1.00 0.00 C ATOM 0 H PHE A 17 -7.531 -24.201 2.592 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.028 -23.296 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.435 -25.789 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.197 -25.608 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.444 -24.911 4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.206 -26.693 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.660 -25.581 5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.459 -27.415 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.658 -26.805 5.141 1.00 0.00 H new ATOM 270 N ARG A 18 -6.050 -23.568 -0.892 1.00 0.00 N ATOM 271 CA ARG A 18 -5.654 -23.070 -2.210 1.00 0.00 C ATOM 272 C ARG A 18 -6.001 -21.584 -2.395 1.00 0.00 C ATOM 273 O ARG A 18 -5.220 -20.800 -2.940 1.00 0.00 O ATOM 274 CB ARG A 18 -6.213 -24.038 -3.254 1.00 0.00 C ATOM 275 CG ARG A 18 -7.739 -24.176 -3.274 1.00 0.00 C ATOM 276 CD ARG A 18 -8.289 -23.082 -4.165 1.00 0.00 C ATOM 277 NE ARG A 18 -9.742 -23.001 -4.078 1.00 0.00 N ATOM 278 CZ ARG A 18 -10.617 -22.826 -5.039 1.00 0.00 C ATOM 279 NH1 ARG A 18 -10.411 -23.138 -6.287 1.00 0.00 N ATOM 280 NH2 ARG A 18 -11.742 -22.274 -4.727 1.00 0.00 N ATOM 0 H ARG A 18 -6.812 -24.246 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.571 -23.062 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.882 -23.713 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.779 -25.023 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.029 -25.157 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.144 -24.088 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.853 -22.125 -3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.995 -23.271 -5.198 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.132 -23.093 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.521 -23.548 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.140 -22.973 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.922 -21.993 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.451 -22.119 -5.444 1.00 0.00 H new ATOM 294 N ASP A 19 -7.174 -21.226 -1.866 1.00 0.00 N ATOM 295 CA ASP A 19 -7.878 -19.934 -2.000 1.00 0.00 C ATOM 296 C ASP A 19 -7.038 -18.768 -1.469 1.00 0.00 C ATOM 297 O ASP A 19 -7.123 -17.629 -1.931 1.00 0.00 O ATOM 298 CB ASP A 19 -9.211 -20.003 -1.224 1.00 0.00 C ATOM 299 CG ASP A 19 -10.047 -21.233 -1.576 1.00 0.00 C ATOM 300 OD1 ASP A 19 -9.665 -22.358 -1.182 1.00 0.00 O ATOM 301 OD2 ASP A 19 -10.978 -21.116 -2.404 1.00 0.00 O ATOM 0 H ASP A 19 -7.703 -21.878 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.060 -19.756 -3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.002 -20.007 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.792 -19.105 -1.432 1.00 0.00 H new ATOM 306 N TYR A 20 -6.165 -19.127 -0.535 1.00 0.00 N ATOM 307 CA TYR A 20 -5.271 -18.234 0.205 1.00 0.00 C ATOM 308 C TYR A 20 -3.790 -18.539 -0.055 1.00 0.00 C ATOM 309 O TYR A 20 -2.995 -17.603 -0.096 1.00 0.00 O ATOM 310 CB TYR A 20 -5.603 -18.289 1.704 1.00 0.00 C ATOM 311 CG TYR A 20 -4.893 -17.246 2.558 1.00 0.00 C ATOM 312 CD1 TYR A 20 -3.585 -17.485 3.026 1.00 0.00 C ATOM 313 CD2 TYR A 20 -5.552 -16.050 2.917 1.00 0.00 C ATOM 314 CE1 TYR A 20 -2.952 -16.550 3.865 1.00 0.00 C ATOM 315 CE2 TYR A 20 -4.933 -15.125 3.781 1.00 0.00 C ATOM 316 CZ TYR A 20 -3.635 -15.385 4.265 1.00 0.00 C ATOM 317 OH TYR A 20 -3.049 -14.543 5.150 1.00 0.00 O ATOM 0 H TYR A 20 -6.053 -20.102 -0.256 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.438 -17.219 -0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.679 -18.167 1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.349 -19.280 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.067 -18.389 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.537 -15.843 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.941 -16.726 4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.450 -14.222 4.071 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.639 -13.777 5.313 1.00 0.00 H new ATOM 327 N VAL A 21 -3.398 -19.800 -0.280 1.00 0.00 N ATOM 328 CA VAL A 21 -1.987 -20.180 -0.471 1.00 0.00 C ATOM 329 C VAL A 21 -1.347 -19.507 -1.659 1.00 0.00 C ATOM 330 O VAL A 21 -0.184 -19.108 -1.579 1.00 0.00 O ATOM 331 CB VAL A 21 -1.758 -21.687 -0.643 1.00 0.00 C ATOM 332 CG1 VAL A 21 -2.194 -22.298 -1.970 1.00 0.00 C ATOM 333 CG2 VAL A 21 -0.276 -21.975 -0.455 1.00 0.00 C ATOM 0 H VAL A 21 -4.046 -20.586 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.525 -19.845 0.457 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.396 -22.152 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.979 -23.367 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.264 -22.144 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.651 -21.821 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.095 -23.043 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.299 -21.424 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.031 -21.664 0.543 1.00 0.00 H new ATOM 343 N ASP A 22 -2.094 -19.372 -2.751 1.00 0.00 N ATOM 344 CA ASP A 22 -1.538 -18.772 -3.948 1.00 0.00 C ATOM 345 C ASP A 22 -1.167 -17.315 -3.694 1.00 0.00 C ATOM 346 O ASP A 22 -0.092 -16.844 -4.048 1.00 0.00 O ATOM 347 CB ASP A 22 -2.578 -18.923 -5.051 1.00 0.00 C ATOM 348 CG ASP A 22 -2.277 -20.102 -5.979 1.00 0.00 C ATOM 349 OD1 ASP A 22 -1.838 -21.160 -5.456 1.00 0.00 O ATOM 350 OD2 ASP A 22 -2.497 -19.926 -7.195 1.00 0.00 O ATOM 0 H ASP A 22 -3.068 -19.666 -2.827 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.615 -19.268 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.562 -19.059 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.619 -18.004 -5.636 1.00 0.00 H new ATOM 355 N ARG A 23 -2.051 -16.651 -2.955 1.00 0.00 N ATOM 356 CA ARG A 23 -1.927 -15.290 -2.429 1.00 0.00 C ATOM 357 C ARG A 23 -0.778 -15.188 -1.416 1.00 0.00 C ATOM 358 O ARG A 23 0.041 -14.281 -1.539 1.00 0.00 O ATOM 359 CB ARG A 23 -3.283 -14.810 -1.841 1.00 0.00 C ATOM 360 CG ARG A 23 -4.547 -15.568 -2.286 1.00 0.00 C ATOM 361 CD ARG A 23 -4.769 -15.604 -3.797 1.00 0.00 C ATOM 362 NE ARG A 23 -5.702 -14.566 -4.242 1.00 0.00 N ATOM 363 CZ ARG A 23 -6.072 -14.389 -5.495 1.00 0.00 C ATOM 364 NH1 ARG A 23 -5.501 -15.047 -6.467 1.00 0.00 N ATOM 365 NH2 ARG A 23 -6.991 -13.522 -5.810 1.00 0.00 N ATOM 0 H ARG A 23 -2.938 -17.078 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.674 -14.620 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.220 -14.866 -0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.410 -13.759 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.490 -16.592 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.415 -15.107 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.814 -15.475 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.153 -16.583 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.091 -13.940 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.755 -15.712 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.801 -14.896 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.438 -12.965 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.264 -13.399 -6.785 1.00 0.00 H new ATOM 379 N PHE A 24 -0.666 -16.136 -0.484 1.00 0.00 N ATOM 380 CA PHE A 24 0.375 -16.171 0.549 1.00 0.00 C ATOM 381 C PHE A 24 1.772 -16.265 -0.081 1.00 0.00 C ATOM 382 O PHE A 24 2.597 -15.355 0.075 1.00 0.00 O ATOM 383 CB PHE A 24 0.081 -17.347 1.504 1.00 0.00 C ATOM 384 CG PHE A 24 1.250 -17.803 2.359 1.00 0.00 C ATOM 385 CD1 PHE A 24 2.136 -18.779 1.865 1.00 0.00 C ATOM 386 CD2 PHE A 24 1.469 -17.259 3.635 1.00 0.00 C ATOM 387 CE1 PHE A 24 3.324 -19.081 2.549 1.00 0.00 C ATOM 388 CE2 PHE A 24 2.627 -17.623 4.353 1.00 0.00 C ATOM 389 CZ PHE A 24 3.604 -18.432 3.760 1.00 0.00 C ATOM 0 H PHE A 24 -1.313 -16.922 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 24 0.364 -15.245 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.739 -17.061 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.266 -18.194 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.899 -19.301 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.757 -16.568 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.016 -19.806 2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.761 -17.276 5.367 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.567 -18.555 4.232 1.00 0.00 H new ATOM 399 N TYR A 25 2.024 -17.339 -0.845 1.00 0.00 N ATOM 400 CA TYR A 25 3.342 -17.565 -1.439 1.00 0.00 C ATOM 401 C TYR A 25 3.660 -16.466 -2.455 1.00 0.00 C ATOM 402 O TYR A 25 4.800 -16.020 -2.461 1.00 0.00 O ATOM 403 CB TYR A 25 3.490 -18.970 -2.045 1.00 0.00 C ATOM 404 CG TYR A 25 4.141 -20.047 -1.170 1.00 0.00 C ATOM 405 CD1 TYR A 25 5.549 -20.208 -1.124 1.00 0.00 C ATOM 406 CD2 TYR A 25 3.337 -20.990 -0.504 1.00 0.00 C ATOM 407 CE1 TYR A 25 6.119 -21.364 -0.531 1.00 0.00 C ATOM 408 CE2 TYR A 25 3.905 -22.091 0.149 1.00 0.00 C ATOM 409 CZ TYR A 25 5.287 -22.317 0.101 1.00 0.00 C ATOM 410 OH TYR A 25 5.794 -23.430 0.694 1.00 0.00 O ATOM 0 H TYR A 25 1.334 -18.058 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 25 4.077 -17.514 -0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.498 -19.321 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.073 -18.882 -2.962 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.191 -19.447 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.265 -20.863 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.188 -21.516 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.271 -22.773 0.696 1.00 0.00 H new ATOM 0 HH TYR A 25 6.761 -23.325 0.814 1.00 0.00 H new ATOM 420 N LYS A 26 2.684 -15.928 -3.210 1.00 0.00 N ATOM 421 CA LYS A 26 2.860 -14.779 -4.125 1.00 0.00 C ATOM 422 C LYS A 26 3.527 -13.548 -3.491 1.00 0.00 C ATOM 423 O LYS A 26 4.185 -12.782 -4.204 1.00 0.00 O ATOM 424 CB LYS A 26 1.492 -14.470 -4.778 1.00 0.00 C ATOM 425 CG LYS A 26 1.353 -13.136 -5.521 1.00 0.00 C ATOM 426 CD LYS A 26 0.972 -11.989 -4.559 1.00 0.00 C ATOM 427 CE LYS A 26 1.363 -10.605 -5.092 1.00 0.00 C ATOM 428 NZ LYS A 26 2.822 -10.515 -5.347 1.00 0.00 N ATOM 0 H LYS A 26 1.729 -16.286 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 26 3.579 -15.062 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.264 -15.272 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.731 -14.503 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.292 -12.897 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.594 -13.228 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.103 -12.013 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.458 -12.152 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.818 -10.401 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.070 -9.840 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.192 -9.632 -4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.302 -11.327 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.996 -10.523 -6.372 1.00 0.00 H new ATOM 442 N THR A 27 3.354 -13.296 -2.193 1.00 0.00 N ATOM 443 CA THR A 27 4.029 -12.194 -1.465 1.00 0.00 C ATOM 444 C THR A 27 5.260 -12.696 -0.727 1.00 0.00 C ATOM 445 O THR A 27 6.368 -12.199 -0.961 1.00 0.00 O ATOM 446 CB THR A 27 3.089 -11.482 -0.463 1.00 0.00 C ATOM 447 OG1 THR A 27 2.009 -12.298 -0.069 1.00 0.00 O ATOM 448 CG2 THR A 27 2.485 -10.229 -1.090 1.00 0.00 C ATOM 0 H THR A 27 2.736 -13.851 -1.601 1.00 0.00 H new ATOM 0 HA THR A 27 4.328 -11.470 -2.223 1.00 0.00 H new ATOM 0 HB THR A 27 3.705 -11.240 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.443 -11.809 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.827 -9.743 -0.370 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.283 -9.543 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.913 -10.505 -1.976 1.00 0.00 H new ATOM 456 N LEU A 28 5.067 -13.749 0.065 1.00 0.00 N ATOM 457 CA LEU A 28 6.053 -14.384 0.948 1.00 0.00 C ATOM 458 C LEU A 28 7.344 -14.813 0.236 1.00 0.00 C ATOM 459 O LEU A 28 8.426 -14.751 0.803 1.00 0.00 O ATOM 460 CB LEU A 28 5.339 -15.558 1.621 1.00 0.00 C ATOM 461 CG LEU A 28 6.159 -16.377 2.617 1.00 0.00 C ATOM 462 CD1 LEU A 28 6.804 -17.534 1.857 1.00 0.00 C ATOM 463 CD2 LEU A 28 7.158 -15.645 3.512 1.00 0.00 C ATOM 0 H LEU A 28 4.160 -14.214 0.113 1.00 0.00 H new ATOM 0 HA LEU A 28 6.403 -13.661 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.461 -15.171 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.979 -16.230 0.842 1.00 0.00 H new ATOM 0 HG LEU A 28 5.443 -16.718 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.397 -18.136 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.027 -18.154 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.450 -17.139 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.659 -16.363 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.898 -15.138 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.631 -14.911 4.122 1.00 0.00 H new ATOM 475 N ARG A 29 7.247 -15.225 -1.029 1.00 0.00 N ATOM 476 CA ARG A 29 8.325 -15.732 -1.920 1.00 0.00 C ATOM 477 C ARG A 29 9.689 -15.006 -1.992 1.00 0.00 C ATOM 478 O ARG A 29 10.468 -15.337 -2.873 1.00 0.00 O ATOM 479 CB ARG A 29 7.743 -15.962 -3.329 1.00 0.00 C ATOM 480 CG ARG A 29 7.035 -14.732 -3.915 1.00 0.00 C ATOM 481 CD ARG A 29 7.948 -13.577 -4.345 1.00 0.00 C ATOM 482 NE ARG A 29 8.025 -12.544 -3.294 1.00 0.00 N ATOM 483 CZ ARG A 29 8.620 -11.372 -3.367 1.00 0.00 C ATOM 484 NH1 ARG A 29 9.321 -11.018 -4.409 1.00 0.00 N ATOM 485 NH2 ARG A 29 8.506 -10.534 -2.378 1.00 0.00 N ATOM 0 H ARG A 29 6.346 -15.217 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 29 8.631 -16.650 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.548 -16.260 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.037 -16.792 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.451 -15.050 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.329 -14.356 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.946 -13.958 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.571 -13.135 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 29 7.565 -12.763 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.420 -11.657 -5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.770 -10.102 -4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.959 -10.788 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.964 -9.624 -2.426 1.00 0.00 H new ATOM 499 N ALA A 30 10.003 -14.009 -1.172 1.00 0.00 N ATOM 500 CA ALA A 30 11.375 -13.523 -1.035 1.00 0.00 C ATOM 501 C ALA A 30 12.236 -14.493 -0.195 1.00 0.00 C ATOM 502 O ALA A 30 13.449 -14.516 -0.368 1.00 0.00 O ATOM 503 CB ALA A 30 11.339 -12.135 -0.386 1.00 0.00 C ATOM 0 H ALA A 30 9.324 -13.519 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 30 11.833 -13.461 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.356 -11.758 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.765 -11.454 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.870 -12.204 0.596 1.00 0.00 H new ATOM 509 N GLU A 31 11.614 -15.309 0.669 1.00 0.00 N ATOM 510 CA GLU A 31 12.331 -16.161 1.638 1.00 0.00 C ATOM 511 C GLU A 31 12.359 -17.647 1.233 1.00 0.00 C ATOM 512 O GLU A 31 13.309 -18.364 1.534 1.00 0.00 O ATOM 513 CB GLU A 31 11.664 -16.017 3.020 1.00 0.00 C ATOM 514 CG GLU A 31 11.749 -14.586 3.581 1.00 0.00 C ATOM 515 CD GLU A 31 11.073 -14.450 4.956 1.00 0.00 C ATOM 516 OE1 GLU A 31 11.264 -15.367 5.788 1.00 0.00 O ATOM 517 OE2 GLU A 31 10.389 -13.422 5.159 1.00 0.00 O ATOM 0 H GLU A 31 10.599 -15.399 0.718 1.00 0.00 H new ATOM 0 HA GLU A 31 13.367 -15.823 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.617 -16.311 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.138 -16.705 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.796 -14.294 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.280 -13.896 2.880 1.00 0.00 H new ATOM 524 N GLN A 32 11.325 -18.119 0.528 1.00 0.00 N ATOM 525 CA GLN A 32 11.172 -19.529 0.138 1.00 0.00 C ATOM 526 C GLN A 32 10.310 -19.700 -1.129 1.00 0.00 C ATOM 527 O GLN A 32 9.309 -20.414 -1.141 1.00 0.00 O ATOM 528 CB GLN A 32 10.664 -20.368 1.328 1.00 0.00 C ATOM 529 CG GLN A 32 9.346 -19.871 1.944 1.00 0.00 C ATOM 530 CD GLN A 32 8.462 -21.016 2.410 1.00 0.00 C ATOM 531 OE1 GLN A 32 8.894 -22.047 2.896 1.00 0.00 O ATOM 532 NE2 GLN A 32 7.173 -20.891 2.219 1.00 0.00 N ATOM 0 H GLN A 32 10.560 -17.526 0.207 1.00 0.00 H new ATOM 0 HA GLN A 32 12.157 -19.910 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.530 -21.398 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.431 -20.378 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.565 -19.217 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.806 -19.273 1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.798 -20.033 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.543 -21.651 2.476 1.00 0.00 H new ATOM 541 N ALA A 33 10.672 -19.014 -2.217 1.00 0.00 N ATOM 542 CA ALA A 33 9.976 -19.110 -3.506 1.00 0.00 C ATOM 543 C ALA A 33 9.814 -20.552 -4.035 1.00 0.00 C ATOM 544 O ALA A 33 8.728 -20.951 -4.453 1.00 0.00 O ATOM 545 CB ALA A 33 10.764 -18.272 -4.528 1.00 0.00 C ATOM 0 H ALA A 33 11.463 -18.370 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 33 8.962 -18.738 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.271 -18.323 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.803 -17.235 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.778 -18.663 -4.615 1.00 0.00 H new ATOM 551 N SER A 34 10.898 -21.328 -3.988 1.00 0.00 N ATOM 552 CA SER A 34 11.124 -22.626 -4.650 1.00 0.00 C ATOM 553 C SER A 34 10.235 -23.825 -4.262 1.00 0.00 C ATOM 554 O SER A 34 10.643 -24.952 -4.530 1.00 0.00 O ATOM 555 CB SER A 34 12.595 -23.013 -4.427 1.00 0.00 C ATOM 556 OG SER A 34 13.449 -21.889 -4.559 1.00 0.00 O ATOM 0 H SER A 34 11.712 -21.046 -3.442 1.00 0.00 H new ATOM 0 HA SER A 34 10.845 -22.443 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.713 -23.447 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.885 -23.779 -5.146 1.00 0.00 H new ATOM 0 HG SER A 34 14.378 -22.165 -4.410 1.00 0.00 H new ATOM 562 N GLN A 35 9.079 -23.625 -3.608 1.00 0.00 N ATOM 563 CA GLN A 35 8.249 -24.677 -2.989 1.00 0.00 C ATOM 564 C GLN A 35 9.103 -25.716 -2.218 1.00 0.00 C ATOM 565 O GLN A 35 8.903 -26.927 -2.263 1.00 0.00 O ATOM 566 CB GLN A 35 7.318 -25.216 -4.082 1.00 0.00 C ATOM 567 CG GLN A 35 6.361 -26.330 -3.631 1.00 0.00 C ATOM 568 CD GLN A 35 5.256 -26.576 -4.641 1.00 0.00 C ATOM 569 OE1 GLN A 35 5.240 -27.550 -5.372 1.00 0.00 O ATOM 570 NE2 GLN A 35 4.280 -25.702 -4.723 1.00 0.00 N ATOM 0 H GLN A 35 8.681 -22.693 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 35 7.614 -24.289 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.728 -24.388 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.927 -25.592 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.924 -27.251 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.921 -26.062 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.279 -24.881 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.523 -25.844 -5.392 1.00 0.00 H new ATOM 579 N GLU A 36 10.137 -25.212 -1.547 1.00 0.00 N ATOM 580 CA GLU A 36 11.166 -26.015 -0.906 1.00 0.00 C ATOM 581 C GLU A 36 10.584 -26.882 0.220 1.00 0.00 C ATOM 582 O GLU A 36 9.933 -26.371 1.121 1.00 0.00 O ATOM 583 CB GLU A 36 12.234 -25.057 -0.369 1.00 0.00 C ATOM 584 CG GLU A 36 13.393 -25.838 0.250 1.00 0.00 C ATOM 585 CD GLU A 36 14.447 -24.933 0.886 1.00 0.00 C ATOM 586 OE1 GLU A 36 14.150 -23.756 1.182 1.00 0.00 O ATOM 587 OE2 GLU A 36 15.539 -25.429 1.251 1.00 0.00 O ATOM 0 H GLU A 36 10.282 -24.209 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 36 11.604 -26.704 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.604 -24.426 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.795 -24.395 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.003 -26.520 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.864 -26.451 -0.519 1.00 0.00 H new ATOM 594 N VAL A 37 10.875 -28.188 0.220 1.00 0.00 N ATOM 595 CA VAL A 37 10.256 -29.178 1.129 1.00 0.00 C ATOM 596 C VAL A 37 10.339 -28.846 2.623 1.00 0.00 C ATOM 597 O VAL A 37 9.506 -29.285 3.409 1.00 0.00 O ATOM 598 CB VAL A 37 10.842 -30.574 0.854 1.00 0.00 C ATOM 599 CG1 VAL A 37 12.134 -30.887 1.621 1.00 0.00 C ATOM 600 CG2 VAL A 37 9.801 -31.664 1.121 1.00 0.00 C ATOM 0 H VAL A 37 11.556 -28.600 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 37 9.190 -29.151 0.902 1.00 0.00 H new ATOM 0 HB VAL A 37 11.113 -30.563 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.475 -31.890 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.902 -30.163 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.944 -30.830 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.238 -32.642 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.483 -31.616 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.939 -31.511 0.471 1.00 0.00 H new ATOM 610 N LYS A 38 11.346 -28.061 3.022 1.00 0.00 N ATOM 611 CA LYS A 38 11.482 -27.520 4.386 1.00 0.00 C ATOM 612 C LYS A 38 10.473 -26.410 4.743 1.00 0.00 C ATOM 613 O LYS A 38 10.668 -25.734 5.746 1.00 0.00 O ATOM 614 CB LYS A 38 12.955 -27.176 4.710 1.00 0.00 C ATOM 615 CG LYS A 38 13.486 -25.782 4.316 1.00 0.00 C ATOM 616 CD LYS A 38 14.985 -25.691 4.666 1.00 0.00 C ATOM 617 CE LYS A 38 15.566 -24.268 4.666 1.00 0.00 C ATOM 618 NZ LYS A 38 15.722 -23.715 3.301 1.00 0.00 N ATOM 0 H LYS A 38 12.103 -27.777 2.400 1.00 0.00 H new ATOM 0 HA LYS A 38 11.195 -28.324 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.095 -27.293 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.585 -27.921 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.339 -25.612 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.930 -25.006 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.140 -26.131 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.546 -26.297 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.915 -23.614 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.536 -24.276 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.367 -22.899 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.115 -24.445 2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.795 -23.411 2.941 1.00 0.00 H new ATOM 632 N ASN A 39 9.399 -26.210 3.972 1.00 0.00 N ATOM 633 CA ASN A 39 8.324 -25.232 4.205 1.00 0.00 C ATOM 634 C ASN A 39 7.511 -25.355 5.522 1.00 0.00 C ATOM 635 O ASN A 39 6.430 -24.783 5.608 1.00 0.00 O ATOM 636 CB ASN A 39 7.434 -25.138 2.953 1.00 0.00 C ATOM 637 CG ASN A 39 6.191 -26.001 2.927 1.00 0.00 C ATOM 638 OD1 ASN A 39 6.207 -27.218 3.041 1.00 0.00 O ATOM 639 ND2 ASN A 39 5.064 -25.353 2.737 1.00 0.00 N ATOM 0 H ASN A 39 9.245 -26.754 3.123 1.00 0.00 H new ATOM 0 HA ASN A 39 8.839 -24.287 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.127 -24.099 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.042 -25.394 2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.184 -25.866 2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.069 -24.337 2.644 1.00 0.00 H new ATOM 646 N ALA A 40 8.031 -26.030 6.549 1.00 0.00 N ATOM 647 CA ALA A 40 7.521 -26.085 7.921 1.00 0.00 C ATOM 648 C ALA A 40 8.506 -25.369 8.873 1.00 0.00 C ATOM 649 O ALA A 40 8.975 -25.934 9.857 1.00 0.00 O ATOM 650 CB ALA A 40 7.274 -27.557 8.282 1.00 0.00 C ATOM 0 H ALA A 40 8.876 -26.590 6.437 1.00 0.00 H new ATOM 0 HA ALA A 40 6.572 -25.558 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.893 -27.623 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.544 -27.983 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.209 -28.112 8.208 1.00 0.00 H new ATOM 656 N MET A 41 8.945 -24.162 8.485 1.00 0.00 N ATOM 657 CA MET A 41 9.975 -23.370 9.176 1.00 0.00 C ATOM 658 C MET A 41 9.649 -21.872 9.228 1.00 0.00 C ATOM 659 O MET A 41 9.817 -21.263 10.281 1.00 0.00 O ATOM 660 CB MET A 41 11.345 -23.592 8.516 1.00 0.00 C ATOM 661 CG MET A 41 11.807 -25.038 8.703 1.00 0.00 C ATOM 662 SD MET A 41 13.538 -25.363 8.261 1.00 0.00 S ATOM 663 CE MET A 41 13.609 -27.106 8.746 1.00 0.00 C ATOM 0 H MET A 41 8.581 -23.695 7.655 1.00 0.00 H new ATOM 0 HA MET A 41 10.000 -23.721 10.208 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.284 -23.359 7.453 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.078 -22.912 8.950 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.657 -25.318 9.746 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.168 -25.687 8.103 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.607 -27.498 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.385 -27.197 9.809 1.00 0.00 H new ATOM 0 HE3 MET A 41 12.877 -27.674 8.171 1.00 0.00 H new ATOM 673 N THR A 42 9.204 -21.260 8.125 1.00 0.00 N ATOM 674 CA THR A 42 8.607 -19.913 8.130 1.00 0.00 C ATOM 675 C THR A 42 7.124 -19.983 8.528 1.00 0.00 C ATOM 676 O THR A 42 6.560 -21.055 8.715 1.00 0.00 O ATOM 677 CB THR A 42 8.735 -19.214 6.746 1.00 0.00 C ATOM 678 OG1 THR A 42 9.458 -19.964 5.790 1.00 0.00 O ATOM 679 CG2 THR A 42 9.519 -17.921 6.892 1.00 0.00 C ATOM 0 H THR A 42 9.246 -21.684 7.198 1.00 0.00 H new ATOM 0 HA THR A 42 9.158 -19.323 8.862 1.00 0.00 H new ATOM 0 HB THR A 42 7.708 -19.074 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.498 -19.467 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.605 -17.436 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.000 -17.257 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.515 -18.141 7.278 1.00 0.00 H new ATOM 687 N GLU A 43 6.464 -18.825 8.569 1.00 0.00 N ATOM 688 CA GLU A 43 4.998 -18.619 8.659 1.00 0.00 C ATOM 689 C GLU A 43 4.144 -19.411 7.639 1.00 0.00 C ATOM 690 O GLU A 43 2.922 -19.463 7.756 1.00 0.00 O ATOM 691 CB GLU A 43 4.700 -17.111 8.481 1.00 0.00 C ATOM 692 CG GLU A 43 5.685 -16.424 7.516 1.00 0.00 C ATOM 693 CD GLU A 43 5.111 -15.158 6.892 1.00 0.00 C ATOM 694 OE1 GLU A 43 4.812 -14.195 7.634 1.00 0.00 O ATOM 695 OE2 GLU A 43 4.937 -15.214 5.658 1.00 0.00 O ATOM 0 H GLU A 43 6.965 -17.937 8.539 1.00 0.00 H new ATOM 0 HA GLU A 43 4.711 -19.000 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.684 -16.987 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.745 -16.618 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.600 -16.176 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.959 -17.122 6.725 1.00 0.00 H new ATOM 702 N THR A 44 4.777 -20.015 6.632 1.00 0.00 N ATOM 703 CA THR A 44 4.178 -20.982 5.694 1.00 0.00 C ATOM 704 C THR A 44 3.376 -22.072 6.383 1.00 0.00 C ATOM 705 O THR A 44 3.911 -22.856 7.156 1.00 0.00 O ATOM 706 CB THR A 44 5.230 -21.595 4.752 1.00 0.00 C ATOM 707 OG1 THR A 44 4.828 -22.828 4.194 1.00 0.00 O ATOM 708 CG2 THR A 44 6.584 -21.833 5.407 1.00 0.00 C ATOM 0 H THR A 44 5.762 -19.840 6.435 1.00 0.00 H new ATOM 0 HA THR A 44 3.474 -20.405 5.095 1.00 0.00 H new ATOM 0 HB THR A 44 5.325 -20.836 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.327 -23.557 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.269 -22.266 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.986 -20.885 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.467 -22.518 6.247 1.00 0.00 H new ATOM 716 N LEU A 45 2.089 -22.144 6.042 1.00 0.00 N ATOM 717 CA LEU A 45 1.145 -23.077 6.619 1.00 0.00 C ATOM 718 C LEU A 45 0.335 -23.874 5.564 1.00 0.00 C ATOM 719 O LEU A 45 -0.765 -24.329 5.859 1.00 0.00 O ATOM 720 CB LEU A 45 0.289 -22.260 7.596 1.00 0.00 C ATOM 721 CG LEU A 45 -0.672 -21.302 6.870 1.00 0.00 C ATOM 722 CD1 LEU A 45 -1.970 -21.232 7.635 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.150 -19.882 6.639 1.00 0.00 C ATOM 0 H LEU A 45 1.672 -21.535 5.338 1.00 0.00 H new ATOM 0 HA LEU A 45 1.661 -23.876 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.285 -22.938 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.941 -21.687 8.255 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.798 -21.725 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.656 -20.555 7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.415 -22.226 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.779 -20.865 8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.908 -19.295 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.076 -19.417 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.755 -19.921 6.033 1.00 0.00 H new ATOM 735 N LEU A 46 0.828 -23.940 4.319 1.00 0.00 N ATOM 736 CA LEU A 46 0.191 -24.444 3.089 1.00 0.00 C ATOM 737 C LEU A 46 1.225 -24.582 1.931 1.00 0.00 C ATOM 738 O LEU A 46 2.408 -24.369 2.168 1.00 0.00 O ATOM 739 CB LEU A 46 -1.099 -23.635 2.766 1.00 0.00 C ATOM 740 CG LEU A 46 -1.214 -22.086 2.887 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.433 -21.664 3.720 1.00 0.00 C ATOM 742 CD2 LEU A 46 0.036 -21.260 3.193 1.00 0.00 C ATOM 0 H LEU A 46 1.774 -23.611 4.127 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.161 -25.464 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.361 -23.879 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.883 -24.048 3.401 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.367 -21.805 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.475 -20.576 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.342 -22.037 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.348 -22.079 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.229 -20.204 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.454 -21.573 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.775 -21.413 2.407 1.00 0.00 H new ATOM 754 N VAL A 47 0.845 -24.958 0.698 1.00 0.00 N ATOM 755 CA VAL A 47 1.720 -25.170 -0.486 1.00 0.00 C ATOM 756 C VAL A 47 1.002 -24.679 -1.757 1.00 0.00 C ATOM 757 O VAL A 47 -0.182 -24.963 -1.895 1.00 0.00 O ATOM 758 CB VAL A 47 2.027 -26.677 -0.620 1.00 0.00 C ATOM 759 CG1 VAL A 47 2.859 -27.001 -1.863 1.00 0.00 C ATOM 760 CG2 VAL A 47 2.794 -27.189 0.602 1.00 0.00 C ATOM 0 H VAL A 47 -0.136 -25.134 0.480 1.00 0.00 H new ATOM 0 HA VAL A 47 2.648 -24.612 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 47 1.058 -27.170 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.045 -28.074 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.316 -26.690 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.809 -26.470 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.998 -28.253 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.735 -26.647 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.195 -27.032 1.499 1.00 0.00 H new ATOM 770 N GLN A 48 1.659 -23.947 -2.665 1.00 0.00 N ATOM 771 CA GLN A 48 1.062 -23.340 -3.881 1.00 0.00 C ATOM 772 C GLN A 48 0.106 -24.286 -4.634 1.00 0.00 C ATOM 773 O GLN A 48 0.517 -25.387 -5.004 1.00 0.00 O ATOM 774 CB GLN A 48 2.159 -22.800 -4.798 1.00 0.00 C ATOM 775 CG GLN A 48 3.031 -21.786 -4.046 1.00 0.00 C ATOM 776 CD GLN A 48 4.379 -22.343 -3.598 1.00 0.00 C ATOM 777 OE1 GLN A 48 4.457 -23.339 -2.896 1.00 0.00 O ATOM 778 NE2 GLN A 48 5.481 -21.755 -4.009 1.00 0.00 N ATOM 0 H GLN A 48 2.656 -23.749 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 48 0.441 -22.509 -3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.776 -23.622 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.711 -22.327 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.201 -20.921 -4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.486 -21.431 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.426 -20.922 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.390 -22.131 -3.741 1.00 0.00 H new ATOM 787 N ASN A 49 -1.155 -23.862 -4.828 1.00 0.00 N ATOM 788 CA ASN A 49 -2.352 -24.619 -5.247 1.00 0.00 C ATOM 789 C ASN A 49 -2.662 -25.916 -4.454 1.00 0.00 C ATOM 790 O ASN A 49 -3.831 -26.272 -4.305 1.00 0.00 O ATOM 791 CB ASN A 49 -2.300 -24.823 -6.771 1.00 0.00 C ATOM 792 CG ASN A 49 -3.318 -25.811 -7.337 1.00 0.00 C ATOM 793 OD1 ASN A 49 -4.507 -25.820 -7.045 1.00 0.00 O ATOM 794 ND2 ASN A 49 -2.865 -26.698 -8.188 1.00 0.00 N ATOM 0 H ASN A 49 -1.387 -22.880 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.216 -24.008 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.449 -23.858 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.300 -25.164 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.500 -27.383 -8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.877 -26.703 -8.441 1.00 0.00 H new ATOM 801 N ALA A 50 -1.656 -26.588 -3.884 1.00 0.00 N ATOM 802 CA ALA A 50 -1.656 -27.927 -3.282 1.00 0.00 C ATOM 803 C ALA A 50 -2.348 -29.032 -4.123 1.00 0.00 C ATOM 804 O ALA A 50 -2.860 -28.805 -5.220 1.00 0.00 O ATOM 805 CB ALA A 50 -2.170 -27.813 -1.838 1.00 0.00 C ATOM 0 H ALA A 50 -0.729 -26.166 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.628 -28.288 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.177 -28.800 -1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.517 -27.150 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.182 -27.408 -1.843 1.00 0.00 H new ATOM 811 N ASN A 51 -2.384 -30.266 -3.624 1.00 0.00 N ATOM 812 CA ASN A 51 -2.974 -31.425 -4.306 1.00 0.00 C ATOM 813 C ASN A 51 -4.328 -31.799 -3.636 1.00 0.00 C ATOM 814 O ASN A 51 -4.689 -31.169 -2.638 1.00 0.00 O ATOM 815 CB ASN A 51 -1.878 -32.514 -4.377 1.00 0.00 C ATOM 816 CG ASN A 51 -1.559 -33.187 -3.057 1.00 0.00 C ATOM 817 OD1 ASN A 51 -2.183 -32.941 -2.038 1.00 0.00 O ATOM 818 ND2 ASN A 51 -0.596 -34.076 -3.073 1.00 0.00 N ATOM 0 H ASN A 51 -1.994 -30.498 -2.710 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.266 -31.236 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.190 -33.277 -5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.965 -32.065 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.353 -34.580 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.089 -34.263 -3.938 1.00 0.00 H new ATOM 825 N PRO A 52 -5.151 -32.719 -4.184 1.00 0.00 N ATOM 826 CA PRO A 52 -6.501 -32.950 -3.652 1.00 0.00 C ATOM 827 C PRO A 52 -6.509 -33.646 -2.284 1.00 0.00 C ATOM 828 O PRO A 52 -7.458 -33.468 -1.524 1.00 0.00 O ATOM 829 CB PRO A 52 -7.222 -33.783 -4.713 1.00 0.00 C ATOM 830 CG PRO A 52 -6.094 -34.540 -5.405 1.00 0.00 C ATOM 831 CD PRO A 52 -4.917 -33.565 -5.347 1.00 0.00 C ATOM 0 HA PRO A 52 -7.001 -31.999 -3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.945 -34.464 -4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.770 -33.152 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.866 -35.475 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.353 -34.794 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.972 -34.100 -5.256 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.859 -32.969 -6.258 1.00 0.00 H new ATOM 839 N ASP A 53 -5.449 -34.393 -1.977 1.00 0.00 N ATOM 840 CA ASP A 53 -5.211 -35.049 -0.688 1.00 0.00 C ATOM 841 C ASP A 53 -5.149 -34.019 0.459 1.00 0.00 C ATOM 842 O ASP A 53 -6.134 -33.820 1.177 1.00 0.00 O ATOM 843 CB ASP A 53 -3.926 -35.878 -0.850 1.00 0.00 C ATOM 844 CG ASP A 53 -3.378 -36.358 0.487 1.00 0.00 C ATOM 845 OD1 ASP A 53 -3.990 -37.292 1.042 1.00 0.00 O ATOM 846 OD2 ASP A 53 -2.372 -35.755 0.932 1.00 0.00 O ATOM 0 H ASP A 53 -4.700 -34.566 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.031 -35.711 -0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.129 -36.739 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.170 -35.278 -1.356 1.00 0.00 H new ATOM 851 N CYS A 54 -4.047 -33.261 0.540 1.00 0.00 N ATOM 852 CA CYS A 54 -3.819 -32.212 1.539 1.00 0.00 C ATOM 853 C CYS A 54 -5.039 -31.293 1.665 1.00 0.00 C ATOM 854 O CYS A 54 -5.553 -31.063 2.759 1.00 0.00 O ATOM 855 CB CYS A 54 -2.527 -31.457 1.157 1.00 0.00 C ATOM 856 SG CYS A 54 -2.597 -29.651 1.334 1.00 0.00 S ATOM 0 H CYS A 54 -3.267 -33.365 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.685 -32.648 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.711 -31.834 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.281 -31.694 0.122 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.021 -29.301 2.446 1.00 0.00 H new ATOM 862 N LYS A 55 -5.561 -30.803 0.538 1.00 0.00 N ATOM 863 CA LYS A 55 -6.728 -29.907 0.544 1.00 0.00 C ATOM 864 C LYS A 55 -7.872 -30.482 1.377 1.00 0.00 C ATOM 865 O LYS A 55 -8.314 -29.828 2.315 1.00 0.00 O ATOM 866 CB LYS A 55 -7.232 -29.652 -0.883 1.00 0.00 C ATOM 867 CG LYS A 55 -6.884 -28.249 -1.422 1.00 0.00 C ATOM 868 CD LYS A 55 -5.832 -28.193 -2.538 1.00 0.00 C ATOM 869 CE LYS A 55 -6.382 -28.675 -3.891 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.546 -28.212 -5.034 1.00 0.00 N ATOM 0 H LYS A 55 -5.197 -31.010 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.402 -28.967 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.807 -30.403 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.314 -29.782 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.800 -27.787 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.533 -27.640 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.470 -27.170 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.977 -28.807 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.429 -29.764 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.402 -28.311 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.103 -28.254 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.239 -27.233 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.711 -28.826 -5.124 1.00 0.00 H new ATOM 884 N THR A 56 -8.329 -31.683 1.024 1.00 0.00 N ATOM 885 CA THR A 56 -9.499 -32.332 1.628 1.00 0.00 C ATOM 886 C THR A 56 -9.265 -32.658 3.103 1.00 0.00 C ATOM 887 O THR A 56 -10.216 -32.730 3.876 1.00 0.00 O ATOM 888 CB THR A 56 -9.869 -33.606 0.843 1.00 0.00 C ATOM 889 OG1 THR A 56 -9.962 -33.304 -0.532 1.00 0.00 O ATOM 890 CG2 THR A 56 -11.229 -34.186 1.232 1.00 0.00 C ATOM 0 H THR A 56 -7.889 -32.246 0.296 1.00 0.00 H new ATOM 0 HA THR A 56 -10.332 -31.631 1.576 1.00 0.00 H new ATOM 0 HB THR A 56 -9.087 -34.329 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.124 -33.548 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.426 -35.081 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.225 -34.444 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.008 -33.447 1.042 1.00 0.00 H new ATOM 898 N ILE A 57 -8.001 -32.813 3.506 1.00 0.00 N ATOM 899 CA ILE A 57 -7.652 -33.216 4.883 1.00 0.00 C ATOM 900 C ILE A 57 -7.509 -32.006 5.800 1.00 0.00 C ATOM 901 O ILE A 57 -8.248 -31.879 6.781 1.00 0.00 O ATOM 902 CB ILE A 57 -6.366 -34.068 4.897 1.00 0.00 C ATOM 903 CG1 ILE A 57 -6.632 -35.410 4.188 1.00 0.00 C ATOM 904 CG2 ILE A 57 -5.854 -34.316 6.337 1.00 0.00 C ATOM 905 CD1 ILE A 57 -5.329 -36.045 3.712 1.00 0.00 C ATOM 0 H ILE A 57 -7.194 -32.666 2.899 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.471 -33.825 5.265 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.589 -33.517 4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.144 -36.090 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.295 -35.251 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.947 -34.920 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.636 -33.361 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.618 -34.842 6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.545 -36.991 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.831 -35.373 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.678 -36.225 4.568 1.00 0.00 H new ATOM 917 N LEU A 58 -6.561 -31.108 5.512 1.00 0.00 N ATOM 918 CA LEU A 58 -6.258 -29.977 6.395 1.00 0.00 C ATOM 919 C LEU A 58 -7.409 -28.986 6.496 1.00 0.00 C ATOM 920 O LEU A 58 -7.522 -28.292 7.502 1.00 0.00 O ATOM 921 CB LEU A 58 -4.981 -29.265 5.967 1.00 0.00 C ATOM 922 CG LEU A 58 -3.771 -30.206 6.071 1.00 0.00 C ATOM 923 CD1 LEU A 58 -3.477 -30.910 4.758 1.00 0.00 C ATOM 924 CD2 LEU A 58 -2.537 -29.422 6.480 1.00 0.00 C ATOM 0 H LEU A 58 -5.987 -31.143 4.669 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.107 -30.399 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.084 -28.909 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.820 -28.388 6.594 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.018 -30.958 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.614 -31.564 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.342 -31.503 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.264 -30.169 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.684 -30.097 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.330 -28.654 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.709 -28.951 7.448 1.00 0.00 H new ATOM 936 N LYS A 59 -8.317 -29.036 5.512 1.00 0.00 N ATOM 937 CA LYS A 59 -9.635 -28.368 5.568 1.00 0.00 C ATOM 938 C LYS A 59 -10.369 -28.529 6.909 1.00 0.00 C ATOM 939 O LYS A 59 -11.127 -27.635 7.274 1.00 0.00 O ATOM 940 CB LYS A 59 -10.545 -28.841 4.428 1.00 0.00 C ATOM 941 CG LYS A 59 -10.416 -27.975 3.165 1.00 0.00 C ATOM 942 CD LYS A 59 -11.457 -26.851 3.028 1.00 0.00 C ATOM 943 CE LYS A 59 -11.510 -25.940 4.258 1.00 0.00 C ATOM 944 NZ LYS A 59 -11.989 -24.581 3.922 1.00 0.00 N ATOM 0 H LYS A 59 -8.160 -29.546 4.643 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.415 -27.306 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.303 -29.875 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.581 -28.829 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.421 -27.530 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.488 -28.623 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.225 -26.252 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.441 -27.291 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.167 -26.381 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.517 -25.875 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.534 -23.888 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.749 -24.363 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.021 -24.536 4.046 1.00 0.00 H new ATOM 958 N ALA A 60 -10.122 -29.642 7.602 1.00 0.00 N ATOM 959 CA ALA A 60 -10.518 -29.869 8.993 1.00 0.00 C ATOM 960 C ALA A 60 -9.302 -30.032 9.941 1.00 0.00 C ATOM 961 O ALA A 60 -9.412 -29.779 11.139 1.00 0.00 O ATOM 962 CB ALA A 60 -11.432 -31.102 9.027 1.00 0.00 C ATOM 0 H ALA A 60 -9.625 -30.436 7.198 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.052 -28.993 9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.744 -31.296 10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.311 -30.920 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.891 -31.967 8.643 1.00 0.00 H new ATOM 968 N LEU A 61 -8.126 -30.419 9.426 1.00 0.00 N ATOM 969 CA LEU A 61 -6.948 -30.775 10.224 1.00 0.00 C ATOM 970 C LEU A 61 -5.987 -29.593 10.455 1.00 0.00 C ATOM 971 O LEU A 61 -4.787 -29.666 10.189 1.00 0.00 O ATOM 972 CB LEU A 61 -6.266 -32.051 9.677 1.00 0.00 C ATOM 973 CG LEU A 61 -5.833 -32.964 10.842 1.00 0.00 C ATOM 974 CD1 LEU A 61 -7.014 -33.766 11.399 1.00 0.00 C ATOM 975 CD2 LEU A 61 -4.759 -33.959 10.420 1.00 0.00 C ATOM 0 H LEU A 61 -7.966 -30.494 8.421 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.298 -31.023 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.953 -32.587 9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.398 -31.779 9.076 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.437 -32.296 11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.671 -34.398 12.218 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.779 -33.081 11.765 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.434 -34.391 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.485 -34.581 11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.143 -34.590 9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.881 -33.418 10.068 1.00 0.00 H new ATOM 987 N GLY A 62 -6.515 -28.520 11.045 1.00 0.00 N ATOM 988 CA GLY A 62 -5.739 -27.379 11.547 1.00 0.00 C ATOM 989 C GLY A 62 -5.659 -27.265 13.080 1.00 0.00 C ATOM 990 O GLY A 62 -5.838 -26.149 13.575 1.00 0.00 O ATOM 0 H GLY A 62 -7.519 -28.415 11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.726 -27.446 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.176 -26.461 11.153 1.00 0.00 H new ATOM 994 N PRO A 63 -5.368 -28.339 13.858 1.00 0.00 N ATOM 995 CA PRO A 63 -5.305 -28.318 15.327 1.00 0.00 C ATOM 996 C PRO A 63 -4.025 -27.641 15.864 1.00 0.00 C ATOM 997 O PRO A 63 -3.442 -28.089 16.842 1.00 0.00 O ATOM 998 CB PRO A 63 -5.408 -29.796 15.735 1.00 0.00 C ATOM 999 CG PRO A 63 -4.597 -30.482 14.641 1.00 0.00 C ATOM 1000 CD PRO A 63 -5.021 -29.687 13.408 1.00 0.00 C ATOM 0 HA PRO A 63 -6.107 -27.718 15.757 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.991 -29.976 16.726 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.441 -30.143 15.756 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.524 -30.417 14.823 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.841 -31.540 14.551 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.213 -29.652 12.677 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.873 -30.160 12.920 1.00 0.00 H new ATOM 1008 N ALA A 64 -3.544 -26.596 15.185 1.00 0.00 N ATOM 1009 CA ALA A 64 -2.378 -25.771 15.536 1.00 0.00 C ATOM 1010 C ALA A 64 -1.012 -26.487 15.695 1.00 0.00 C ATOM 1011 O ALA A 64 -0.044 -25.816 16.030 1.00 0.00 O ATOM 1012 CB ALA A 64 -2.738 -24.894 16.748 1.00 0.00 C ATOM 0 H ALA A 64 -3.984 -26.281 14.320 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.181 -25.159 14.656 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.881 -24.277 17.018 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.582 -24.252 16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.007 -25.531 17.591 1.00 0.00 H new ATOM 1018 N ALA A 65 -0.913 -27.790 15.402 1.00 0.00 N ATOM 1019 CA ALA A 65 0.345 -28.546 15.409 1.00 0.00 C ATOM 1020 C ALA A 65 0.473 -29.461 14.176 1.00 0.00 C ATOM 1021 O ALA A 65 1.225 -29.142 13.267 1.00 0.00 O ATOM 1022 CB ALA A 65 0.448 -29.315 16.735 1.00 0.00 C ATOM 0 H ALA A 65 -1.721 -28.359 15.149 1.00 0.00 H new ATOM 0 HA ALA A 65 1.186 -27.857 15.340 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.379 -29.882 16.755 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.435 -28.610 17.566 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.396 -29.999 16.825 1.00 0.00 H new ATOM 1028 N THR A 66 -0.325 -30.533 14.057 1.00 0.00 N ATOM 1029 CA THR A 66 -0.189 -31.561 12.991 1.00 0.00 C ATOM 1030 C THR A 66 -0.188 -31.032 11.548 1.00 0.00 C ATOM 1031 O THR A 66 0.271 -31.700 10.631 1.00 0.00 O ATOM 1032 CB THR A 66 -1.297 -32.624 13.099 1.00 0.00 C ATOM 1033 OG1 THR A 66 -1.660 -32.855 14.443 1.00 0.00 O ATOM 1034 CG2 THR A 66 -0.874 -33.973 12.522 1.00 0.00 C ATOM 0 H THR A 66 -1.094 -30.721 14.701 1.00 0.00 H new ATOM 0 HA THR A 66 0.799 -31.981 13.176 1.00 0.00 H new ATOM 0 HB THR A 66 -2.134 -32.221 12.528 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.366 -33.533 14.479 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.693 -34.685 12.624 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.625 -33.856 11.467 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.002 -34.342 13.062 1.00 0.00 H new ATOM 1042 N LEU A 67 -0.678 -29.819 11.305 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.558 -29.178 9.995 1.00 0.00 C ATOM 1044 C LEU A 67 0.889 -29.182 9.479 1.00 0.00 C ATOM 1045 O LEU A 67 1.122 -29.521 8.329 1.00 0.00 O ATOM 1046 CB LEU A 67 -1.113 -27.767 10.135 1.00 0.00 C ATOM 1047 CG LEU A 67 -1.406 -26.926 8.867 1.00 0.00 C ATOM 1048 CD1 LEU A 67 -1.391 -25.461 9.288 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.400 -27.126 7.760 1.00 0.00 C ATOM 0 H LEU A 67 -1.165 -29.256 12.002 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.125 -29.735 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.042 -27.838 10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.410 -27.200 10.746 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.368 -27.244 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.594 -24.831 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.156 -25.292 10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.413 -25.210 9.698 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.671 -26.505 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.592 -26.844 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.393 -28.174 7.459 1.00 0.00 H new ATOM 1061 N GLU A 68 1.858 -28.838 10.319 1.00 0.00 N ATOM 1062 CA GLU A 68 3.280 -28.750 9.934 1.00 0.00 C ATOM 1063 C GLU A 68 3.812 -29.987 9.202 1.00 0.00 C ATOM 1064 O GLU A 68 4.632 -29.857 8.296 1.00 0.00 O ATOM 1065 CB GLU A 68 4.163 -28.478 11.161 1.00 0.00 C ATOM 1066 CG GLU A 68 3.701 -27.221 11.891 1.00 0.00 C ATOM 1067 CD GLU A 68 4.643 -26.773 13.022 1.00 0.00 C ATOM 1068 OE1 GLU A 68 5.029 -27.637 13.842 1.00 0.00 O ATOM 1069 OE2 GLU A 68 4.934 -25.557 13.076 1.00 0.00 O ATOM 0 H GLU A 68 1.687 -28.608 11.298 1.00 0.00 H new ATOM 0 HA GLU A 68 3.330 -27.918 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.126 -29.332 11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.201 -28.363 10.850 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.604 -26.409 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.709 -27.398 12.307 1.00 0.00 H new ATOM 1076 N GLU A 69 3.300 -31.175 9.538 1.00 0.00 N ATOM 1077 CA GLU A 69 3.567 -32.372 8.713 1.00 0.00 C ATOM 1078 C GLU A 69 2.680 -32.420 7.456 1.00 0.00 C ATOM 1079 O GLU A 69 3.161 -32.639 6.342 1.00 0.00 O ATOM 1080 CB GLU A 69 3.467 -33.682 9.522 1.00 0.00 C ATOM 1081 CG GLU A 69 2.119 -33.980 10.191 1.00 0.00 C ATOM 1082 CD GLU A 69 2.004 -35.406 10.754 1.00 0.00 C ATOM 1083 OE1 GLU A 69 2.806 -35.753 11.652 1.00 0.00 O ATOM 1084 OE2 GLU A 69 1.067 -36.119 10.320 1.00 0.00 O ATOM 0 H GLU A 69 2.711 -31.339 10.354 1.00 0.00 H new ATOM 0 HA GLU A 69 4.601 -32.283 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.707 -34.511 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.234 -33.663 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.961 -33.267 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.321 -33.821 9.465 1.00 0.00 H new ATOM 1091 N MET A 70 1.380 -32.165 7.626 1.00 0.00 N ATOM 1092 CA MET A 70 0.319 -32.333 6.618 1.00 0.00 C ATOM 1093 C MET A 70 0.477 -31.431 5.388 1.00 0.00 C ATOM 1094 O MET A 70 0.113 -31.786 4.265 1.00 0.00 O ATOM 1095 CB MET A 70 -1.008 -32.015 7.276 1.00 0.00 C ATOM 1096 CG MET A 70 -1.444 -32.910 8.399 1.00 0.00 C ATOM 1097 SD MET A 70 -2.439 -34.334 7.874 1.00 0.00 S ATOM 1098 CE MET A 70 -1.441 -35.675 8.578 1.00 0.00 C ATOM 0 H MET A 70 1.016 -31.818 8.514 1.00 0.00 H new ATOM 0 HA MET A 70 0.378 -33.361 6.261 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.962 -30.994 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.781 -32.035 6.507 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.560 -33.273 8.923 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.020 -32.322 9.114 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.907 -36.634 8.351 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.440 -35.648 8.148 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.375 -35.551 9.659 1.00 0.00 H new ATOM 1108 N MET A 71 1.053 -30.256 5.636 1.00 0.00 N ATOM 1109 CA MET A 71 1.389 -29.204 4.675 1.00 0.00 C ATOM 1110 C MET A 71 2.098 -29.790 3.470 1.00 0.00 C ATOM 1111 O MET A 71 1.754 -29.463 2.339 1.00 0.00 O ATOM 1112 CB MET A 71 2.278 -28.171 5.389 1.00 0.00 C ATOM 1113 CG MET A 71 2.919 -27.080 4.512 1.00 0.00 C ATOM 1114 SD MET A 71 3.264 -25.559 5.423 1.00 0.00 S ATOM 1115 CE MET A 71 4.060 -26.194 6.917 1.00 0.00 C ATOM 0 H MET A 71 1.317 -29.994 6.586 1.00 0.00 H new ATOM 0 HA MET A 71 0.481 -28.721 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.679 -27.681 6.157 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.077 -28.707 5.902 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.847 -27.461 4.087 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.255 -26.855 3.677 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.390 -25.360 7.536 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.350 -26.803 7.477 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.921 -26.802 6.640 1.00 0.00 H new ATOM 1125 N THR A 72 3.042 -30.690 3.728 1.00 0.00 N ATOM 1126 CA THR A 72 3.952 -31.221 2.731 1.00 0.00 C ATOM 1127 C THR A 72 3.868 -32.738 2.634 1.00 0.00 C ATOM 1128 O THR A 72 4.197 -33.249 1.571 1.00 0.00 O ATOM 1129 CB THR A 72 5.404 -30.826 3.040 1.00 0.00 C ATOM 1130 OG1 THR A 72 5.525 -29.800 4.011 1.00 0.00 O ATOM 1131 CG2 THR A 72 6.153 -30.355 1.798 1.00 0.00 C ATOM 0 H THR A 72 3.195 -31.076 4.659 1.00 0.00 H new ATOM 0 HA THR A 72 3.648 -30.789 1.777 1.00 0.00 H new ATOM 0 HB THR A 72 5.841 -31.745 3.432 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.763 -28.958 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.174 -30.087 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.172 -31.156 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.649 -29.485 1.377 1.00 0.00 H new ATOM 1139 N ALA A 73 3.384 -33.468 3.652 1.00 0.00 N ATOM 1140 CA ALA A 73 3.302 -34.937 3.614 1.00 0.00 C ATOM 1141 C ALA A 73 2.501 -35.444 2.404 1.00 0.00 C ATOM 1142 O ALA A 73 2.793 -36.506 1.845 1.00 0.00 O ATOM 1143 CB ALA A 73 2.699 -35.452 4.928 1.00 0.00 C ATOM 0 H ALA A 73 3.040 -33.059 4.521 1.00 0.00 H new ATOM 0 HA ALA A 73 4.313 -35.329 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.639 -36.540 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.330 -35.146 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.700 -35.037 5.057 1.00 0.00 H new ATOM 1149 N CYS A 74 1.563 -34.615 1.937 1.00 0.00 N ATOM 1150 CA CYS A 74 0.759 -34.879 0.749 1.00 0.00 C ATOM 1151 C CYS A 74 1.570 -35.153 -0.533 1.00 0.00 C ATOM 1152 O CYS A 74 1.053 -35.761 -1.469 1.00 0.00 O ATOM 1153 CB CYS A 74 -0.186 -33.698 0.563 1.00 0.00 C ATOM 1154 SG CYS A 74 0.711 -32.137 0.254 1.00 0.00 S ATOM 0 H CYS A 74 1.340 -33.726 2.385 1.00 0.00 H new ATOM 0 HA CYS A 74 0.213 -35.808 0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.857 -33.900 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.807 -33.588 1.452 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.133 -31.216 -0.106 1.00 0.00 H new ATOM 1160 N GLN A 75 2.837 -34.732 -0.591 1.00 0.00 N ATOM 1161 CA GLN A 75 3.709 -34.892 -1.758 1.00 0.00 C ATOM 1162 C GLN A 75 4.180 -36.330 -2.020 1.00 0.00 C ATOM 1163 O GLN A 75 4.609 -36.641 -3.130 1.00 0.00 O ATOM 1164 CB GLN A 75 4.898 -33.942 -1.597 1.00 0.00 C ATOM 1165 CG GLN A 75 6.026 -34.393 -0.644 1.00 0.00 C ATOM 1166 CD GLN A 75 6.985 -35.421 -1.238 1.00 0.00 C ATOM 1167 OE1 GLN A 75 7.245 -36.469 -0.676 1.00 0.00 O ATOM 1168 NE2 GLN A 75 7.557 -35.182 -2.398 1.00 0.00 N ATOM 0 H GLN A 75 3.295 -34.260 0.189 1.00 0.00 H new ATOM 0 HA GLN A 75 3.119 -34.643 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.333 -33.772 -2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.520 -32.982 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.597 -33.517 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.577 -34.812 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.360 -34.313 -2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.198 -35.866 -2.801 1.00 0.00 H new