USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 59 THR OG1 : rot -125:sc= -0.403! USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= 0.734 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.1 F(o=-0.81,f=-0.1) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.394) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.59 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.58) USER MOD Single : A 18 SER OG : rot 180:sc= -0.104 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.202 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.613 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= -0.0776 (180deg=-0.806) USER MOD Single : A 37 CYS SG : rot 106:sc= -1.81! USER MOD Single : A 41 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.2) USER MOD Single : A 47 SER OG : rot 27:sc= -1.13! USER MOD Single : A 50 CYS SG : rot -7:sc= -4.05! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -167:sc= -3.9! USER MOD Single : A 68 ASN :FLIP amide:sc= -0.144 F(o=-1.2,f=-0.14) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00638 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.75) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N GLN A 7 84.995 0.505 -5.689 1.00 0.00 N ATOM 99 CA GLN A 7 83.902 1.494 -5.924 1.00 0.00 C ATOM 100 C GLN A 7 82.821 1.354 -4.847 1.00 0.00 C ATOM 101 O GLN A 7 82.172 0.332 -4.749 1.00 0.00 O ATOM 102 CB GLN A 7 83.330 1.138 -7.297 1.00 0.00 C ATOM 103 CG GLN A 7 83.127 -0.374 -7.382 1.00 0.00 C ATOM 104 CD GLN A 7 81.774 -0.674 -8.031 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.280 0.165 -8.900 1.00 0.00 O flip ATOM 106 NE2 GLN A 7 81.161 -1.683 -7.743 1.00 0.00 N flip ATOM 0 HA GLN A 7 84.264 2.522 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.382 1.653 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.008 1.470 -8.083 1.00 0.00 H new ATOM 0 HG2 GLN A 7 83.930 -0.827 -7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 7 83.169 -0.813 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 7 81.548 -2.338 -7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 7 80.260 -1.875 -8.181 1.00 0.00 H new ATOM 115 N PRO A 8 82.664 2.392 -4.071 1.00 0.00 N ATOM 116 CA PRO A 8 81.653 2.389 -2.986 1.00 0.00 C ATOM 117 C PRO A 8 80.239 2.503 -3.568 1.00 0.00 C ATOM 118 O PRO A 8 79.937 3.411 -4.316 1.00 0.00 O ATOM 119 CB PRO A 8 82.004 3.628 -2.166 1.00 0.00 C ATOM 120 CG PRO A 8 82.720 4.533 -3.118 1.00 0.00 C ATOM 121 CD PRO A 8 83.408 3.653 -4.130 1.00 0.00 C ATOM 0 HA PRO A 8 81.664 1.474 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.108 4.104 -1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.635 3.372 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.019 5.209 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.445 5.153 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.373 4.090 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.460 3.507 -3.882 1.00 0.00 H new ATOM 129 N LYS A 9 79.373 1.587 -3.227 1.00 0.00 N ATOM 130 CA LYS A 9 77.980 1.643 -3.758 1.00 0.00 C ATOM 131 C LYS A 9 77.146 2.633 -2.942 1.00 0.00 C ATOM 132 O LYS A 9 77.484 2.970 -1.826 1.00 0.00 O ATOM 133 CB LYS A 9 77.438 0.223 -3.595 1.00 0.00 C ATOM 134 CG LYS A 9 77.679 -0.567 -4.883 1.00 0.00 C ATOM 135 CD LYS A 9 76.335 -0.965 -5.496 1.00 0.00 C ATOM 136 CE LYS A 9 75.646 -1.992 -4.594 1.00 0.00 C ATOM 137 NZ LYS A 9 75.425 -3.180 -5.464 1.00 0.00 N ATOM 0 H LYS A 9 79.569 0.803 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 9 77.944 1.976 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.928 -0.271 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.372 0.253 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 9 78.249 0.035 -5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 9 78.272 -1.457 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.702 -0.085 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.487 -1.383 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 76.267 -2.242 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.704 -1.607 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 75.398 -4.039 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 74.522 -3.077 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.200 -3.255 -6.153 1.00 0.00 H new ATOM 151 N CYS A 10 76.057 3.098 -3.488 1.00 0.00 N ATOM 152 CA CYS A 10 75.204 4.065 -2.737 1.00 0.00 C ATOM 153 C CYS A 10 73.740 3.617 -2.771 1.00 0.00 C ATOM 154 O CYS A 10 73.307 2.946 -3.686 1.00 0.00 O ATOM 155 CB CYS A 10 75.375 5.398 -3.466 1.00 0.00 C ATOM 156 SG CYS A 10 77.138 5.767 -3.645 1.00 0.00 S ATOM 0 H CYS A 10 75.720 2.852 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 10 75.489 4.137 -1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 10 74.901 5.352 -4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 10 74.881 6.195 -2.910 1.00 0.00 H new ATOM 0 HG CYS A 10 77.283 6.899 -4.267 1.00 0.00 H new ATOM 162 N VAL A 11 72.976 3.988 -1.781 1.00 0.00 N ATOM 163 CA VAL A 11 71.541 3.587 -1.754 1.00 0.00 C ATOM 164 C VAL A 11 70.684 4.734 -1.215 1.00 0.00 C ATOM 165 O VAL A 11 70.924 5.251 -0.143 1.00 0.00 O ATOM 166 CB VAL A 11 71.477 2.389 -0.808 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.524 1.350 -1.221 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.758 2.857 0.622 1.00 0.00 C ATOM 0 H VAL A 11 73.284 4.552 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 11 71.165 3.342 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 11 70.485 1.940 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.476 0.497 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.324 1.017 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.518 1.796 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.713 2.004 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.750 3.306 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.011 3.594 0.917 1.00 0.00 H new ATOM 178 N LYS A 12 69.682 5.133 -1.948 1.00 0.00 N ATOM 179 CA LYS A 12 68.807 6.243 -1.474 1.00 0.00 C ATOM 180 C LYS A 12 67.674 5.679 -0.614 1.00 0.00 C ATOM 181 O LYS A 12 66.592 5.411 -1.095 1.00 0.00 O ATOM 182 CB LYS A 12 68.250 6.882 -2.747 1.00 0.00 C ATOM 183 CG LYS A 12 69.255 7.897 -3.294 1.00 0.00 C ATOM 184 CD LYS A 12 68.723 9.314 -3.066 1.00 0.00 C ATOM 185 CE LYS A 12 69.888 10.306 -3.083 1.00 0.00 C ATOM 186 NZ LYS A 12 69.261 11.640 -2.863 1.00 0.00 N ATOM 0 H LYS A 12 69.431 4.739 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 12 69.346 6.966 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 12 68.050 6.114 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.301 7.374 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.218 7.774 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.419 7.725 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.001 9.572 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 12 68.199 9.368 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.613 10.077 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.421 10.272 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.998 12.374 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 68.581 11.834 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 68.766 11.644 -1.948 1.00 0.00 H new ATOM 200 N LEU A 13 67.918 5.488 0.654 1.00 0.00 N ATOM 201 CA LEU A 13 66.858 4.930 1.540 1.00 0.00 C ATOM 202 C LEU A 13 65.798 5.991 1.846 1.00 0.00 C ATOM 203 O LEU A 13 65.810 6.614 2.888 1.00 0.00 O ATOM 204 CB LEU A 13 67.585 4.513 2.817 1.00 0.00 C ATOM 205 CG LEU A 13 67.382 3.015 3.051 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.684 2.271 2.753 1.00 0.00 C ATOM 207 CD2 LEU A 13 66.980 2.775 4.508 1.00 0.00 C ATOM 0 H LEU A 13 68.805 5.694 1.114 1.00 0.00 H new ATOM 0 HA LEU A 13 66.337 4.093 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.648 4.738 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.205 5.080 3.667 1.00 0.00 H new ATOM 0 HG LEU A 13 66.595 2.649 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.539 1.204 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.971 2.441 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.471 2.638 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 13 66.835 1.708 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.766 3.142 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.051 3.304 4.721 1.00 0.00 H new ATOM 219 N ARG A 14 64.875 6.189 0.947 1.00 0.00 N ATOM 220 CA ARG A 14 63.802 7.198 1.184 1.00 0.00 C ATOM 221 C ARG A 14 62.734 6.596 2.102 1.00 0.00 C ATOM 222 O ARG A 14 62.638 5.395 2.244 1.00 0.00 O ATOM 223 CB ARG A 14 63.233 7.493 -0.210 1.00 0.00 C ATOM 224 CG ARG A 14 61.803 8.032 -0.097 1.00 0.00 C ATOM 225 CD ARG A 14 61.825 9.419 0.547 1.00 0.00 C ATOM 226 NE ARG A 14 60.522 9.528 1.261 1.00 0.00 N ATOM 227 CZ ARG A 14 60.092 10.694 1.665 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.816 11.764 1.476 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.934 10.790 2.260 1.00 0.00 N ATOM 0 H ARG A 14 64.816 5.695 0.056 1.00 0.00 H new ATOM 0 HA ARG A 14 64.163 8.105 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.864 8.220 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.240 6.585 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.345 8.086 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.194 7.353 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.663 9.522 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.931 10.202 -0.204 1.00 0.00 H new ATOM 0 HE ARG A 14 59.965 8.691 1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.721 11.692 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.476 12.672 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.366 9.956 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.597 11.699 2.576 1.00 0.00 H new ATOM 243 N ALA A 15 61.933 7.409 2.734 1.00 0.00 N ATOM 244 CA ALA A 15 60.887 6.850 3.636 1.00 0.00 C ATOM 245 C ALA A 15 59.544 7.550 3.406 1.00 0.00 C ATOM 246 O ALA A 15 59.438 8.757 3.498 1.00 0.00 O ATOM 247 CB ALA A 15 61.399 7.119 5.052 1.00 0.00 C ATOM 0 H ALA A 15 61.956 8.426 2.666 1.00 0.00 H new ATOM 0 HA ALA A 15 60.718 5.788 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.682 6.735 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.359 6.621 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.522 8.192 5.197 1.00 0.00 H new ATOM 253 N LEU A 16 58.517 6.798 3.109 1.00 0.00 N ATOM 254 CA LEU A 16 57.178 7.416 2.875 1.00 0.00 C ATOM 255 C LEU A 16 56.551 7.823 4.209 1.00 0.00 C ATOM 256 O LEU A 16 55.672 8.659 4.266 1.00 0.00 O ATOM 257 CB LEU A 16 56.345 6.324 2.205 1.00 0.00 C ATOM 258 CG LEU A 16 56.057 6.721 0.758 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.221 5.631 0.084 1.00 0.00 C ATOM 260 CD2 LEU A 16 55.283 8.041 0.738 1.00 0.00 C ATOM 0 H LEU A 16 58.547 5.782 3.018 1.00 0.00 H new ATOM 0 HA LEU A 16 57.239 8.314 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.880 5.374 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.410 6.180 2.747 1.00 0.00 H new ATOM 0 HG LEU A 16 56.998 6.840 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.016 5.915 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.770 4.690 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.280 5.510 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 16 55.076 8.326 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.343 7.920 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.878 8.819 1.217 1.00 0.00 H new ATOM 272 N HIS A 17 57.001 7.238 5.282 1.00 0.00 N ATOM 273 CA HIS A 17 56.437 7.590 6.616 1.00 0.00 C ATOM 274 C HIS A 17 57.051 8.900 7.111 1.00 0.00 C ATOM 275 O HIS A 17 56.775 9.357 8.203 1.00 0.00 O ATOM 276 CB HIS A 17 56.833 6.432 7.532 1.00 0.00 C ATOM 277 CG HIS A 17 55.968 6.446 8.761 1.00 0.00 C ATOM 278 ND1 HIS A 17 54.948 5.528 8.957 1.00 0.00 N ATOM 279 CD2 HIS A 17 55.958 7.259 9.868 1.00 0.00 C ATOM 280 CE1 HIS A 17 54.372 5.809 10.141 1.00 0.00 C ATOM 281 NE2 HIS A 17 54.950 6.854 10.737 1.00 0.00 N ATOM 0 H HIS A 17 57.736 6.530 5.294 1.00 0.00 H new ATOM 0 HA HIS A 17 55.357 7.732 6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.721 5.484 7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.883 6.519 7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 17 56.630 8.087 10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 17 53.543 5.256 10.558 1.00 0.00 H new ATOM 0 HE2 HIS A 17 54.705 7.267 11.637 1.00 0.00 H new ATOM 289 N SER A 18 57.883 9.510 6.311 1.00 0.00 N ATOM 290 CA SER A 18 58.518 10.792 6.725 1.00 0.00 C ATOM 291 C SER A 18 58.589 11.745 5.529 1.00 0.00 C ATOM 292 O SER A 18 58.087 11.452 4.462 1.00 0.00 O ATOM 293 CB SER A 18 59.921 10.407 7.194 1.00 0.00 C ATOM 294 OG SER A 18 59.890 9.091 7.730 1.00 0.00 O ATOM 0 H SER A 18 58.151 9.174 5.386 1.00 0.00 H new ATOM 0 HA SER A 18 57.958 11.302 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.622 10.457 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.271 11.112 7.948 1.00 0.00 H new ATOM 0 HG SER A 18 60.788 8.839 8.031 1.00 0.00 H new ATOM 300 N ALA A 19 59.207 12.880 5.695 1.00 0.00 N ATOM 301 CA ALA A 19 59.303 13.844 4.561 1.00 0.00 C ATOM 302 C ALA A 19 60.750 13.944 4.071 1.00 0.00 C ATOM 303 O ALA A 19 61.196 14.990 3.642 1.00 0.00 O ATOM 304 CB ALA A 19 58.839 15.182 5.138 1.00 0.00 C ATOM 0 H ALA A 19 59.649 13.183 6.563 1.00 0.00 H new ATOM 0 HA ALA A 19 58.700 13.537 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.881 15.947 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.815 15.087 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.490 15.467 5.964 1.00 0.00 H new ATOM 310 N CYS A 20 61.490 12.869 4.132 1.00 0.00 N ATOM 311 CA CYS A 20 62.906 12.918 3.669 1.00 0.00 C ATOM 312 C CYS A 20 63.401 11.519 3.291 1.00 0.00 C ATOM 313 O CYS A 20 62.634 10.582 3.174 1.00 0.00 O ATOM 314 CB CYS A 20 63.690 13.458 4.864 1.00 0.00 C ATOM 315 SG CYS A 20 63.685 12.230 6.194 1.00 0.00 S ATOM 0 H CYS A 20 61.176 11.963 4.481 1.00 0.00 H new ATOM 0 HA CYS A 20 63.025 13.540 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 20 64.714 13.685 4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.245 14.390 5.213 1.00 0.00 H new ATOM 0 HG CYS A 20 64.354 12.688 7.210 1.00 0.00 H new ATOM 321 N LYS A 21 64.684 11.375 3.102 1.00 0.00 N ATOM 322 CA LYS A 21 65.244 10.045 2.734 1.00 0.00 C ATOM 323 C LYS A 21 66.606 9.849 3.405 1.00 0.00 C ATOM 324 O LYS A 21 66.966 10.564 4.318 1.00 0.00 O ATOM 325 CB LYS A 21 65.392 10.083 1.212 1.00 0.00 C ATOM 326 CG LYS A 21 66.201 11.317 0.805 1.00 0.00 C ATOM 327 CD LYS A 21 65.336 12.235 -0.060 1.00 0.00 C ATOM 328 CE LYS A 21 65.609 11.954 -1.542 1.00 0.00 C ATOM 329 NZ LYS A 21 65.702 13.296 -2.189 1.00 0.00 N ATOM 0 H LYS A 21 65.371 12.124 3.187 1.00 0.00 H new ATOM 0 HA LYS A 21 64.607 9.221 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.889 9.178 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.409 10.109 0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.541 11.851 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.092 11.015 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.281 12.073 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.554 13.278 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.533 11.391 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 64.809 11.360 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.888 13.179 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.806 13.808 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 66.477 13.837 -1.755 1.00 0.00 H new ATOM 343 N PHE A 22 67.367 8.886 2.960 1.00 0.00 N ATOM 344 CA PHE A 22 68.703 8.653 3.579 1.00 0.00 C ATOM 345 C PHE A 22 69.712 8.205 2.518 1.00 0.00 C ATOM 346 O PHE A 22 70.049 7.042 2.423 1.00 0.00 O ATOM 347 CB PHE A 22 68.478 7.540 4.602 1.00 0.00 C ATOM 348 CG PHE A 22 69.789 7.196 5.267 1.00 0.00 C ATOM 349 CD1 PHE A 22 70.734 8.200 5.514 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.061 5.873 5.636 1.00 0.00 C ATOM 351 CE1 PHE A 22 71.949 7.880 6.130 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.277 5.555 6.253 1.00 0.00 C ATOM 353 CZ PHE A 22 72.221 6.558 6.499 1.00 0.00 C ATOM 0 H PHE A 22 67.123 8.253 2.198 1.00 0.00 H new ATOM 0 HA PHE A 22 69.105 9.557 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 22 67.752 7.860 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.064 6.659 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 22 70.525 9.221 5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.333 5.098 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 22 72.677 8.654 6.321 1.00 0.00 H new ATOM 0 HE2 PHE A 22 71.486 4.535 6.539 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.159 6.312 6.974 1.00 0.00 H new ATOM 363 N GLY A 23 70.204 9.119 1.726 1.00 0.00 N ATOM 364 CA GLY A 23 71.197 8.739 0.682 1.00 0.00 C ATOM 365 C GLY A 23 72.501 8.323 1.362 1.00 0.00 C ATOM 366 O GLY A 23 73.350 9.142 1.652 1.00 0.00 O ATOM 0 H GLY A 23 69.962 10.109 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 23 70.811 7.920 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.375 9.578 0.009 1.00 0.00 H new ATOM 370 N VAL A 24 72.665 7.056 1.629 1.00 0.00 N ATOM 371 CA VAL A 24 73.913 6.595 2.301 1.00 0.00 C ATOM 372 C VAL A 24 74.695 5.646 1.383 1.00 0.00 C ATOM 373 O VAL A 24 74.129 4.964 0.553 1.00 0.00 O ATOM 374 CB VAL A 24 73.427 5.885 3.574 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.164 4.401 3.300 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.490 6.019 4.665 1.00 0.00 C ATOM 0 H VAL A 24 71.991 6.322 1.412 1.00 0.00 H new ATOM 0 HA VAL A 24 74.595 7.412 2.535 1.00 0.00 H new ATOM 0 HB VAL A 24 72.496 6.349 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.821 3.917 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.400 4.303 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 24 74.084 3.925 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.148 5.516 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.420 5.562 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.661 7.074 4.879 1.00 0.00 H new ATOM 386 N ALA A 25 75.992 5.599 1.525 1.00 0.00 N ATOM 387 CA ALA A 25 76.805 4.697 0.658 1.00 0.00 C ATOM 388 C ALA A 25 77.723 3.819 1.514 1.00 0.00 C ATOM 389 O ALA A 25 77.814 3.981 2.714 1.00 0.00 O ATOM 390 CB ALA A 25 77.633 5.634 -0.223 1.00 0.00 C ATOM 0 H ALA A 25 76.524 6.145 2.203 1.00 0.00 H new ATOM 0 HA ALA A 25 76.182 4.024 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.260 5.045 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 25 76.966 6.264 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.264 6.262 0.406 1.00 0.00 H new ATOM 396 N ALA A 26 78.406 2.890 0.902 1.00 0.00 N ATOM 397 CA ALA A 26 79.318 2.000 1.675 1.00 0.00 C ATOM 398 C ALA A 26 79.886 0.909 0.761 1.00 0.00 C ATOM 399 O ALA A 26 79.155 0.199 0.101 1.00 0.00 O ATOM 400 CB ALA A 26 78.443 1.385 2.768 1.00 0.00 C ATOM 0 H ALA A 26 78.372 2.709 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 26 80.168 2.540 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.045 0.715 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.031 2.177 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.629 0.824 2.309 1.00 0.00 H new ATOM 406 N ARG A 27 81.183 0.771 0.719 1.00 0.00 N ATOM 407 CA ARG A 27 81.795 -0.274 -0.153 1.00 0.00 C ATOM 408 C ARG A 27 81.008 -1.582 -0.039 1.00 0.00 C ATOM 409 O ARG A 27 80.541 -2.124 -1.020 1.00 0.00 O ATOM 410 CB ARG A 27 83.217 -0.455 0.381 1.00 0.00 C ATOM 411 CG ARG A 27 83.976 0.868 0.278 1.00 0.00 C ATOM 412 CD ARG A 27 85.032 0.766 -0.824 1.00 0.00 C ATOM 413 NE ARG A 27 86.240 1.430 -0.262 1.00 0.00 N ATOM 414 CZ ARG A 27 86.940 2.246 -1.001 1.00 0.00 C ATOM 415 NH1 ARG A 27 86.982 2.080 -2.295 1.00 0.00 N ATOM 416 NH2 ARG A 27 87.599 3.226 -0.447 1.00 0.00 N ATOM 0 H ARG A 27 81.846 1.336 1.250 1.00 0.00 H new ATOM 0 HA ARG A 27 81.789 0.011 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.187 -0.789 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.734 -1.228 -0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.283 1.681 0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.451 1.102 1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.236 -0.274 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.699 1.260 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 27 86.521 1.247 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.468 1.313 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 27 87.529 2.718 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.567 3.355 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 27 88.146 3.864 -1.025 1.00 0.00 H new ATOM 430 N SER A 28 80.857 -2.092 1.152 1.00 0.00 N ATOM 431 CA SER A 28 80.098 -3.362 1.327 1.00 0.00 C ATOM 432 C SER A 28 78.594 -3.076 1.342 1.00 0.00 C ATOM 433 O SER A 28 78.037 -2.698 2.353 1.00 0.00 O ATOM 434 CB SER A 28 80.552 -3.912 2.678 1.00 0.00 C ATOM 435 OG SER A 28 81.029 -2.842 3.484 1.00 0.00 O ATOM 0 H SER A 28 81.226 -1.685 2.011 1.00 0.00 H new ATOM 0 HA SER A 28 80.281 -4.069 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 28 79.723 -4.416 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 28 81.338 -4.654 2.536 1.00 0.00 H new ATOM 0 HG SER A 28 81.320 -3.191 4.352 1.00 0.00 H new ATOM 441 N CYS A 29 77.935 -3.252 0.227 1.00 0.00 N ATOM 442 CA CYS A 29 76.466 -2.989 0.181 1.00 0.00 C ATOM 443 C CYS A 29 75.797 -3.527 1.446 1.00 0.00 C ATOM 444 O CYS A 29 74.811 -2.993 1.913 1.00 0.00 O ATOM 445 CB CYS A 29 75.962 -3.737 -1.053 1.00 0.00 C ATOM 446 SG CYS A 29 76.346 -5.497 -0.888 1.00 0.00 S ATOM 0 H CYS A 29 78.348 -3.565 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 29 76.239 -1.924 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.887 -3.597 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.429 -3.334 -1.952 1.00 0.00 H new ATOM 0 HG CYS A 29 75.916 -6.135 -1.936 1.00 0.00 H new ATOM 452 N GLN A 30 76.331 -4.576 2.011 1.00 0.00 N ATOM 453 CA GLN A 30 75.725 -5.135 3.252 1.00 0.00 C ATOM 454 C GLN A 30 75.585 -4.026 4.295 1.00 0.00 C ATOM 455 O GLN A 30 74.642 -3.990 5.060 1.00 0.00 O ATOM 456 CB GLN A 30 76.707 -6.205 3.731 1.00 0.00 C ATOM 457 CG GLN A 30 76.672 -7.397 2.774 1.00 0.00 C ATOM 458 CD GLN A 30 78.004 -8.147 2.847 1.00 0.00 C ATOM 459 OE1 GLN A 30 78.758 -8.165 1.894 1.00 0.00 O ATOM 460 NE2 GLN A 30 78.327 -8.771 3.946 1.00 0.00 N ATOM 0 H GLN A 30 77.157 -5.068 1.669 1.00 0.00 H new ATOM 0 HA GLN A 30 74.732 -5.551 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.715 -5.793 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.447 -6.527 4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.851 -8.064 3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 30 76.490 -7.054 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 77.694 -8.756 4.746 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.212 -9.274 4.006 1.00 0.00 H new ATOM 469 N GLU A 31 76.518 -3.114 4.321 1.00 0.00 N ATOM 470 CA GLU A 31 76.444 -1.995 5.301 1.00 0.00 C ATOM 471 C GLU A 31 75.257 -1.093 4.964 1.00 0.00 C ATOM 472 O GLU A 31 74.479 -0.723 5.821 1.00 0.00 O ATOM 473 CB GLU A 31 77.763 -1.236 5.140 1.00 0.00 C ATOM 474 CG GLU A 31 78.712 -1.610 6.282 1.00 0.00 C ATOM 475 CD GLU A 31 78.960 -3.120 6.265 1.00 0.00 C ATOM 476 OE1 GLU A 31 78.757 -3.722 5.224 1.00 0.00 O ATOM 477 OE2 GLU A 31 79.350 -3.647 7.293 1.00 0.00 O ATOM 0 H GLU A 31 77.330 -3.096 3.704 1.00 0.00 H new ATOM 0 HA GLU A 31 76.304 -2.343 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.219 -1.478 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.579 -0.162 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 31 79.655 -1.074 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 31 78.283 -1.312 7.238 1.00 0.00 H new ATOM 484 N LEU A 32 75.110 -0.745 3.717 1.00 0.00 N ATOM 485 CA LEU A 32 73.970 0.125 3.314 1.00 0.00 C ATOM 486 C LEU A 32 72.652 -0.498 3.782 1.00 0.00 C ATOM 487 O LEU A 32 71.773 0.179 4.279 1.00 0.00 O ATOM 488 CB LEU A 32 74.025 0.172 1.787 1.00 0.00 C ATOM 489 CG LEU A 32 75.173 1.077 1.339 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.620 0.673 -0.067 1.00 0.00 C ATOM 491 CD2 LEU A 32 74.700 2.532 1.322 1.00 0.00 C ATOM 0 H LEU A 32 75.731 -1.026 2.958 1.00 0.00 H new ATOM 0 HA LEU A 32 74.032 1.121 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 32 74.164 -0.833 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.080 0.544 1.391 1.00 0.00 H new ATOM 0 HG LEU A 32 76.008 0.974 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.438 1.317 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.957 -0.364 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.784 0.777 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 75.519 3.177 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 32 73.865 2.635 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.379 2.822 2.322 1.00 0.00 H new ATOM 503 N LEU A 33 72.512 -1.787 3.627 1.00 0.00 N ATOM 504 CA LEU A 33 71.255 -2.460 4.061 1.00 0.00 C ATOM 505 C LEU A 33 71.080 -2.322 5.575 1.00 0.00 C ATOM 506 O LEU A 33 70.217 -1.609 6.046 1.00 0.00 O ATOM 507 CB LEU A 33 71.437 -3.928 3.673 1.00 0.00 C ATOM 508 CG LEU A 33 70.582 -4.240 2.445 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.169 -5.441 1.701 1.00 0.00 C ATOM 510 CD2 LEU A 33 69.153 -4.565 2.888 1.00 0.00 C ATOM 0 H LEU A 33 73.215 -2.403 3.218 1.00 0.00 H new ATOM 0 HA LEU A 33 70.370 -2.024 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.486 -4.132 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.149 -4.573 4.503 1.00 0.00 H new ATOM 0 HG LEU A 33 70.571 -3.374 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.558 -5.661 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.186 -5.211 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.182 -6.308 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.543 -4.788 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.166 -5.430 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.732 -3.709 3.416 1.00 0.00 H new ATOM 522 N ARG A 34 71.895 -2.995 6.343 1.00 0.00 N ATOM 523 CA ARG A 34 71.768 -2.891 7.824 1.00 0.00 C ATOM 524 C ARG A 34 71.619 -1.426 8.225 1.00 0.00 C ATOM 525 O ARG A 34 70.633 -1.028 8.814 1.00 0.00 O ATOM 526 CB ARG A 34 73.067 -3.476 8.380 1.00 0.00 C ATOM 527 CG ARG A 34 72.906 -3.744 9.877 1.00 0.00 C ATOM 528 CD ARG A 34 73.335 -5.179 10.190 1.00 0.00 C ATOM 529 NE ARG A 34 74.650 -5.046 10.876 1.00 0.00 N ATOM 530 CZ ARG A 34 75.324 -6.113 11.206 1.00 0.00 C ATOM 531 NH1 ARG A 34 74.900 -6.882 12.171 1.00 0.00 N ATOM 532 NH2 ARG A 34 76.424 -6.411 10.570 1.00 0.00 N ATOM 0 H ARG A 34 72.639 -3.609 6.010 1.00 0.00 H new ATOM 0 HA ARG A 34 70.895 -3.420 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.314 -4.401 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.892 -2.784 8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.510 -3.040 10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 34 71.869 -3.591 10.175 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.606 -5.679 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.423 -5.772 9.280 1.00 0.00 H new ATOM 0 HE ARG A 34 75.024 -4.121 11.088 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.040 -6.649 12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.428 -7.716 12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.756 -5.810 9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.952 -7.245 10.827 1.00 0.00 H new ATOM 546 N LYS A 35 72.585 -0.617 7.899 1.00 0.00 N ATOM 547 CA LYS A 35 72.495 0.828 8.249 1.00 0.00 C ATOM 548 C LYS A 35 71.137 1.376 7.809 1.00 0.00 C ATOM 549 O LYS A 35 70.626 2.325 8.370 1.00 0.00 O ATOM 550 CB LYS A 35 73.625 1.498 7.465 1.00 0.00 C ATOM 551 CG LYS A 35 74.974 0.958 7.944 1.00 0.00 C ATOM 552 CD LYS A 35 76.046 1.249 6.891 1.00 0.00 C ATOM 553 CE LYS A 35 76.712 2.594 7.196 1.00 0.00 C ATOM 554 NZ LYS A 35 75.908 3.604 6.451 1.00 0.00 N ATOM 0 H LYS A 35 73.434 -0.893 7.405 1.00 0.00 H new ATOM 0 HA LYS A 35 72.587 1.008 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.504 1.307 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.585 2.579 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.246 1.421 8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.905 -0.115 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 76.792 0.454 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 35 75.598 1.270 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 76.711 2.801 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 77.752 2.601 6.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 76.518 4.400 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.506 3.167 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.138 3.951 7.058 1.00 0.00 H new ATOM 568 N GLY A 36 70.548 0.779 6.811 1.00 0.00 N ATOM 569 CA GLY A 36 69.221 1.255 6.333 1.00 0.00 C ATOM 570 C GLY A 36 68.156 0.919 7.377 1.00 0.00 C ATOM 571 O GLY A 36 67.475 1.789 7.880 1.00 0.00 O ATOM 0 H GLY A 36 70.930 -0.020 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.249 2.331 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 36 68.975 0.784 5.381 1.00 0.00 H new ATOM 575 N CYS A 37 68.007 -0.334 7.711 1.00 0.00 N ATOM 576 CA CYS A 37 66.982 -0.710 8.728 1.00 0.00 C ATOM 577 C CYS A 37 67.342 -0.110 10.090 1.00 0.00 C ATOM 578 O CYS A 37 66.534 -0.080 10.996 1.00 0.00 O ATOM 579 CB CYS A 37 67.015 -2.235 8.800 1.00 0.00 C ATOM 580 SG CYS A 37 65.872 -2.789 10.091 1.00 0.00 S ATOM 0 H CYS A 37 68.547 -1.110 7.327 1.00 0.00 H new ATOM 0 HA CYS A 37 65.993 -0.338 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.733 -2.664 7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 37 68.026 -2.580 9.019 1.00 0.00 H new ATOM 0 HG CYS A 37 64.809 -3.296 9.541 1.00 0.00 H new ATOM 586 N VAL A 38 68.547 0.367 10.242 1.00 0.00 N ATOM 587 CA VAL A 38 68.950 0.965 11.548 1.00 0.00 C ATOM 588 C VAL A 38 68.542 2.439 11.595 1.00 0.00 C ATOM 589 O VAL A 38 67.615 2.814 12.284 1.00 0.00 O ATOM 590 CB VAL A 38 70.471 0.823 11.603 1.00 0.00 C ATOM 591 CG1 VAL A 38 71.028 1.724 12.708 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.836 -0.632 11.903 1.00 0.00 C ATOM 0 H VAL A 38 69.269 0.369 9.521 1.00 0.00 H new ATOM 0 HA VAL A 38 68.470 0.474 12.394 1.00 0.00 H new ATOM 0 HB VAL A 38 70.898 1.116 10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 38 72.113 1.623 12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.768 2.761 12.498 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.601 1.430 13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.920 -0.734 11.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.409 -0.924 12.862 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.439 -1.276 11.118 1.00 0.00 H new ATOM 602 N ARG A 39 69.226 3.277 10.865 1.00 0.00 N ATOM 603 CA ARG A 39 68.870 4.725 10.869 1.00 0.00 C ATOM 604 C ARG A 39 67.356 4.890 10.723 1.00 0.00 C ATOM 605 O ARG A 39 66.775 5.837 11.216 1.00 0.00 O ATOM 606 CB ARG A 39 69.600 5.316 9.662 1.00 0.00 C ATOM 607 CG ARG A 39 71.074 5.519 10.011 1.00 0.00 C ATOM 608 CD ARG A 39 71.267 6.914 10.612 1.00 0.00 C ATOM 609 NE ARG A 39 72.130 7.637 9.639 1.00 0.00 N ATOM 610 CZ ARG A 39 72.706 8.755 9.984 1.00 0.00 C ATOM 611 NH1 ARG A 39 73.223 8.881 11.176 1.00 0.00 N ATOM 612 NH2 ARG A 39 72.764 9.748 9.140 1.00 0.00 N ATOM 0 H ARG A 39 70.013 3.023 10.268 1.00 0.00 H new ATOM 0 HA ARG A 39 69.156 5.223 11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 39 69.506 4.650 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.148 6.266 9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 39 71.399 4.757 10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 39 71.689 5.407 9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 39 70.312 7.422 10.745 1.00 0.00 H new ATOM 0 HD3 ARG A 39 71.739 6.859 11.593 1.00 0.00 H new ATOM 0 HE ARG A 39 72.271 7.258 8.702 1.00 0.00 H new ATOM 0 HH11 ARG A 39 73.176 8.105 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 39 73.674 9.755 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 39 72.359 9.650 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 73.215 10.622 9.411 1.00 0.00 H new ATOM 626 N PHE A 40 66.711 3.972 10.055 1.00 0.00 N ATOM 627 CA PHE A 40 65.233 4.070 9.886 1.00 0.00 C ATOM 628 C PHE A 40 64.538 3.214 10.947 1.00 0.00 C ATOM 629 O PHE A 40 63.367 3.377 11.226 1.00 0.00 O ATOM 630 CB PHE A 40 64.954 3.521 8.485 1.00 0.00 C ATOM 631 CG PHE A 40 65.092 4.621 7.454 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.687 5.847 7.793 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.621 4.414 6.152 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.806 6.857 6.831 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.741 5.425 5.191 1.00 0.00 C ATOM 636 CZ PHE A 40 65.333 6.646 5.530 1.00 0.00 C ATOM 0 H PHE A 40 67.144 3.158 9.619 1.00 0.00 H new ATOM 0 HA PHE A 40 64.865 5.090 9.999 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.648 2.712 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 40 63.950 3.100 8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.053 6.011 8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 40 64.164 3.472 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.263 7.800 7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.376 5.262 4.188 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.425 7.426 4.789 1.00 0.00 H new ATOM 646 N GLN A 41 65.261 2.304 11.542 1.00 0.00 N ATOM 647 CA GLN A 41 64.661 1.430 12.591 1.00 0.00 C ATOM 648 C GLN A 41 63.449 0.676 12.036 1.00 0.00 C ATOM 649 O GLN A 41 62.320 1.094 12.197 1.00 0.00 O ATOM 650 CB GLN A 41 64.242 2.385 13.709 1.00 0.00 C ATOM 651 CG GLN A 41 65.480 2.818 14.498 1.00 0.00 C ATOM 652 CD GLN A 41 65.539 4.346 14.564 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.518 5.005 14.585 1.00 0.00 O ATOM 654 NE2 GLN A 41 66.701 4.941 14.598 1.00 0.00 N ATOM 0 H GLN A 41 66.246 2.128 11.346 1.00 0.00 H new ATOM 0 HA GLN A 41 65.361 0.672 12.944 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.742 3.257 13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 41 63.528 1.896 14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 41 65.446 2.402 15.505 1.00 0.00 H new ATOM 0 HG3 GLN A 41 66.381 2.430 14.023 1.00 0.00 H new ATOM 0 HE21 GLN A 41 67.558 4.388 14.580 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.752 5.959 14.642 1.00 0.00 H new ATOM 663 N LEU A 42 63.674 -0.438 11.387 1.00 0.00 N ATOM 664 CA LEU A 42 62.531 -1.218 10.832 1.00 0.00 C ATOM 665 C LEU A 42 62.566 -2.651 11.369 1.00 0.00 C ATOM 666 O LEU A 42 63.333 -3.470 10.906 1.00 0.00 O ATOM 667 CB LEU A 42 62.737 -1.210 9.317 1.00 0.00 C ATOM 668 CG LEU A 42 61.380 -1.089 8.620 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.402 -2.099 9.224 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.833 0.326 8.816 1.00 0.00 C ATOM 0 H LEU A 42 64.597 -0.839 11.219 1.00 0.00 H new ATOM 0 HA LEU A 42 61.567 -0.793 11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.381 -0.378 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.240 -2.125 9.002 1.00 0.00 H new ATOM 0 HG LEU A 42 61.500 -1.291 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.436 -2.012 8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 42 60.791 -3.108 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.282 -1.897 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.866 0.414 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.714 0.526 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.528 1.048 8.387 1.00 0.00 H new ATOM 682 N PRO A 43 61.728 -2.900 12.338 1.00 0.00 N ATOM 683 CA PRO A 43 61.658 -4.245 12.956 1.00 0.00 C ATOM 684 C PRO A 43 60.921 -5.215 12.028 1.00 0.00 C ATOM 685 O PRO A 43 60.794 -4.977 10.844 1.00 0.00 O ATOM 686 CB PRO A 43 60.867 -4.005 14.238 1.00 0.00 C ATOM 687 CG PRO A 43 60.043 -2.785 13.968 1.00 0.00 C ATOM 688 CD PRO A 43 60.778 -1.959 12.941 1.00 0.00 C ATOM 0 HA PRO A 43 62.636 -4.688 13.143 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.236 -4.861 14.478 1.00 0.00 H new ATOM 0 HB3 PRO A 43 61.532 -3.851 15.088 1.00 0.00 H new ATOM 0 HG2 PRO A 43 59.055 -3.063 13.601 1.00 0.00 H new ATOM 0 HG3 PRO A 43 59.893 -2.213 14.884 1.00 0.00 H new ATOM 0 HD2 PRO A 43 60.096 -1.549 12.196 1.00 0.00 H new ATOM 0 HD3 PRO A 43 61.291 -1.115 13.402 1.00 0.00 H new ATOM 734 N SER A 47 55.428 -4.105 9.118 1.00 0.00 N ATOM 735 CA SER A 47 55.871 -3.071 8.142 1.00 0.00 C ATOM 736 C SER A 47 56.380 -3.734 6.860 1.00 0.00 C ATOM 737 O SER A 47 56.065 -4.871 6.570 1.00 0.00 O ATOM 738 CB SER A 47 57.006 -2.330 8.846 1.00 0.00 C ATOM 739 OG SER A 47 56.536 -1.820 10.087 1.00 0.00 O ATOM 0 HA SER A 47 55.061 -2.402 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.847 -3.003 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 47 57.368 -1.515 8.219 1.00 0.00 H new ATOM 0 HG SER A 47 55.799 -2.378 10.412 1.00 0.00 H new ATOM 745 N ARG A 48 57.163 -3.031 6.088 1.00 0.00 N ATOM 746 CA ARG A 48 57.688 -3.623 4.826 1.00 0.00 C ATOM 747 C ARG A 48 58.464 -2.575 4.024 1.00 0.00 C ATOM 748 O ARG A 48 58.273 -1.387 4.187 1.00 0.00 O ATOM 749 CB ARG A 48 56.444 -4.071 4.058 1.00 0.00 C ATOM 750 CG ARG A 48 56.369 -5.599 4.050 1.00 0.00 C ATOM 751 CD ARG A 48 56.389 -6.103 2.606 1.00 0.00 C ATOM 752 NE ARG A 48 56.420 -7.588 2.717 1.00 0.00 N ATOM 753 CZ ARG A 48 55.933 -8.323 1.755 1.00 0.00 C ATOM 754 NH1 ARG A 48 56.221 -8.046 0.513 1.00 0.00 N ATOM 755 NH2 ARG A 48 55.157 -9.334 2.036 1.00 0.00 N ATOM 0 H ARG A 48 57.461 -2.074 6.277 1.00 0.00 H new ATOM 0 HA ARG A 48 58.376 -4.447 5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.549 -3.655 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.479 -3.693 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.209 -6.018 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 48 55.459 -5.932 4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 48 55.509 -5.766 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 48 57.261 -5.729 2.069 1.00 0.00 H new ATOM 0 HE ARG A 48 56.821 -8.030 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 48 56.827 -7.255 0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 48 55.840 -8.620 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 48 54.931 -9.549 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 48 54.776 -9.909 1.284 1.00 0.00 H new ATOM 769 N LEU A 49 59.332 -3.010 3.149 1.00 0.00 N ATOM 770 CA LEU A 49 60.110 -2.043 2.326 1.00 0.00 C ATOM 771 C LEU A 49 59.643 -2.129 0.872 1.00 0.00 C ATOM 772 O LEU A 49 58.954 -3.052 0.490 1.00 0.00 O ATOM 773 CB LEU A 49 61.569 -2.487 2.457 1.00 0.00 C ATOM 774 CG LEU A 49 62.224 -1.748 3.624 1.00 0.00 C ATOM 775 CD1 LEU A 49 63.218 -2.676 4.324 1.00 0.00 C ATOM 776 CD2 LEU A 49 62.961 -0.516 3.096 1.00 0.00 C ATOM 0 H LEU A 49 59.535 -3.994 2.970 1.00 0.00 H new ATOM 0 HA LEU A 49 59.980 -1.010 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 49 61.619 -3.564 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.108 -2.279 1.533 1.00 0.00 H new ATOM 0 HG LEU A 49 61.457 -1.438 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 49 63.685 -2.148 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.693 -3.554 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.986 -2.988 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.429 0.012 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.728 -0.827 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.253 0.146 2.598 1.00 0.00 H new ATOM 788 N CYS A 50 60.000 -1.176 0.056 1.00 0.00 N ATOM 789 CA CYS A 50 59.554 -1.226 -1.365 1.00 0.00 C ATOM 790 C CYS A 50 60.453 -0.356 -2.247 1.00 0.00 C ATOM 791 O CYS A 50 60.753 0.777 -1.927 1.00 0.00 O ATOM 792 CB CYS A 50 58.128 -0.675 -1.347 1.00 0.00 C ATOM 793 SG CYS A 50 58.085 0.865 -0.397 1.00 0.00 S ATOM 0 H CYS A 50 60.575 -0.372 0.308 1.00 0.00 H new ATOM 0 HA CYS A 50 59.602 -2.236 -1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 50 57.784 -0.496 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 50 57.450 -1.406 -0.905 1.00 0.00 H new ATOM 0 HG CYS A 50 59.240 1.059 0.167 1.00 0.00 H new ATOM 799 N LEU A 51 60.875 -0.883 -3.363 1.00 0.00 N ATOM 800 CA LEU A 51 61.747 -0.102 -4.286 1.00 0.00 C ATOM 801 C LEU A 51 61.006 1.136 -4.796 1.00 0.00 C ATOM 802 O LEU A 51 59.963 1.037 -5.414 1.00 0.00 O ATOM 803 CB LEU A 51 62.035 -1.061 -5.433 1.00 0.00 C ATOM 804 CG LEU A 51 63.482 -1.533 -5.343 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.517 -3.014 -4.964 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.150 -1.337 -6.698 1.00 0.00 C ATOM 0 H LEU A 51 60.652 -1.827 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 51 62.657 0.254 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.358 -1.914 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.860 -0.566 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 51 64.011 -0.958 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.552 -3.349 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 51 63.030 -3.154 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.993 -3.596 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.186 -1.672 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.619 -1.918 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.123 -0.281 -6.968 1.00 0.00 H new ATOM 818 N TYR A 52 61.538 2.301 -4.546 1.00 0.00 N ATOM 819 CA TYR A 52 60.866 3.546 -5.018 1.00 0.00 C ATOM 820 C TYR A 52 60.966 3.654 -6.543 1.00 0.00 C ATOM 821 O TYR A 52 60.390 4.534 -7.152 1.00 0.00 O ATOM 822 CB TYR A 52 61.632 4.687 -4.348 1.00 0.00 C ATOM 823 CG TYR A 52 60.949 5.999 -4.650 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.578 6.146 -4.412 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.689 7.070 -5.169 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.944 7.363 -4.692 1.00 0.00 C ATOM 827 CE2 TYR A 52 61.055 8.286 -5.449 1.00 0.00 C ATOM 828 CZ TYR A 52 59.684 8.432 -5.211 1.00 0.00 C ATOM 829 OH TYR A 52 59.060 9.632 -5.487 1.00 0.00 O ATOM 0 H TYR A 52 62.409 2.445 -4.035 1.00 0.00 H new ATOM 0 HA TYR A 52 59.805 3.565 -4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.675 4.527 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.661 4.709 -4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.008 5.320 -4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.747 6.957 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.886 7.477 -4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 52 61.624 9.112 -5.849 1.00 0.00 H new ATOM 0 HH TYR A 52 59.716 10.268 -5.840 1.00 0.00 H new ATOM 839 N GLU A 53 61.693 2.765 -7.161 1.00 0.00 N ATOM 840 CA GLU A 53 61.832 2.815 -8.646 1.00 0.00 C ATOM 841 C GLU A 53 60.452 2.826 -9.310 1.00 0.00 C ATOM 842 O GLU A 53 60.064 3.789 -9.941 1.00 0.00 O ATOM 843 CB GLU A 53 62.594 1.541 -9.012 1.00 0.00 C ATOM 844 CG GLU A 53 62.966 1.574 -10.495 1.00 0.00 C ATOM 845 CD GLU A 53 63.206 0.148 -10.994 1.00 0.00 C ATOM 846 OE1 GLU A 53 62.438 -0.725 -10.625 1.00 0.00 O ATOM 847 OE2 GLU A 53 64.154 -0.047 -11.736 1.00 0.00 O ATOM 0 H GLU A 53 62.197 2.006 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 53 62.350 3.713 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.494 1.456 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 53 61.981 0.665 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.168 2.042 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.862 2.178 -10.643 1.00 0.00 H new ATOM 854 N ASP A 54 59.711 1.760 -9.174 1.00 0.00 N ATOM 855 CA ASP A 54 58.357 1.707 -9.800 1.00 0.00 C ATOM 856 C ASP A 54 57.324 1.221 -8.781 1.00 0.00 C ATOM 857 O ASP A 54 56.285 0.699 -9.136 1.00 0.00 O ATOM 858 CB ASP A 54 58.491 0.704 -10.946 1.00 0.00 C ATOM 859 CG ASP A 54 57.673 1.185 -12.146 1.00 0.00 C ATOM 860 OD1 ASP A 54 56.759 1.967 -11.940 1.00 0.00 O ATOM 861 OD2 ASP A 54 57.975 0.763 -13.250 1.00 0.00 O ATOM 0 H ASP A 54 59.983 0.924 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 54 58.024 2.684 -10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.539 0.595 -11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.143 -0.278 -10.626 1.00 0.00 H new ATOM 866 N GLY A 55 57.598 1.388 -7.517 1.00 0.00 N ATOM 867 CA GLY A 55 56.631 0.935 -6.479 1.00 0.00 C ATOM 868 C GLY A 55 56.828 -0.557 -6.213 1.00 0.00 C ATOM 869 O GLY A 55 55.908 -1.256 -5.833 1.00 0.00 O ATOM 0 H GLY A 55 58.450 1.819 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.777 1.501 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.610 1.124 -6.811 1.00 0.00 H new ATOM 873 N THR A 56 58.020 -1.053 -6.402 1.00 0.00 N ATOM 874 CA THR A 56 58.270 -2.502 -6.151 1.00 0.00 C ATOM 875 C THR A 56 58.263 -2.771 -4.644 1.00 0.00 C ATOM 876 O THR A 56 58.334 -1.860 -3.845 1.00 0.00 O ATOM 877 CB THR A 56 59.651 -2.785 -6.752 1.00 0.00 C ATOM 878 OG1 THR A 56 60.235 -1.571 -7.203 1.00 0.00 O ATOM 879 CG2 THR A 56 59.506 -3.751 -7.929 1.00 0.00 C ATOM 0 H THR A 56 58.830 -0.520 -6.718 1.00 0.00 H new ATOM 0 HA THR A 56 57.507 -3.142 -6.595 1.00 0.00 H new ATOM 0 HB THR A 56 60.291 -3.231 -5.991 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.013 -1.771 -7.765 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.488 -3.953 -8.357 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.063 -4.684 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 56 58.864 -3.305 -8.689 1.00 0.00 H new ATOM 887 N GLU A 57 58.169 -4.008 -4.246 1.00 0.00 N ATOM 888 CA GLU A 57 58.153 -4.315 -2.786 1.00 0.00 C ATOM 889 C GLU A 57 59.341 -5.205 -2.416 1.00 0.00 C ATOM 890 O GLU A 57 59.650 -6.160 -3.099 1.00 0.00 O ATOM 891 CB GLU A 57 56.837 -5.052 -2.548 1.00 0.00 C ATOM 892 CG GLU A 57 55.668 -4.089 -2.758 1.00 0.00 C ATOM 893 CD GLU A 57 54.358 -4.877 -2.796 1.00 0.00 C ATOM 894 OE1 GLU A 57 53.910 -5.297 -1.741 1.00 0.00 O ATOM 895 OE2 GLU A 57 53.821 -5.045 -3.880 1.00 0.00 O ATOM 0 H GLU A 57 58.103 -4.817 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 57 58.231 -3.414 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.753 -5.897 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.812 -5.456 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 55.639 -3.354 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 57 55.800 -3.538 -3.689 1.00 0.00 H new ATOM 902 N VAL A 58 60.009 -4.898 -1.339 1.00 0.00 N ATOM 903 CA VAL A 58 61.178 -5.725 -0.925 1.00 0.00 C ATOM 904 C VAL A 58 61.393 -5.613 0.589 1.00 0.00 C ATOM 905 O VAL A 58 60.722 -4.860 1.268 1.00 0.00 O ATOM 906 CB VAL A 58 62.363 -5.132 -1.688 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.625 -5.943 -1.391 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.076 -5.179 -3.191 1.00 0.00 C ATOM 0 H VAL A 58 59.796 -4.110 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 58 61.041 -6.784 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 58 62.512 -4.099 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.468 -5.518 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.833 -5.914 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.475 -6.977 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 58 62.920 -4.756 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 58 61.925 -6.213 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.178 -4.601 -3.408 1.00 0.00 H new ATOM 918 N THR A 59 62.321 -6.360 1.122 1.00 0.00 N ATOM 919 CA THR A 59 62.579 -6.299 2.590 1.00 0.00 C ATOM 920 C THR A 59 64.041 -5.922 2.850 1.00 0.00 C ATOM 921 O THR A 59 64.866 -5.951 1.958 1.00 0.00 O ATOM 922 CB THR A 59 62.292 -7.713 3.101 1.00 0.00 C ATOM 923 OG1 THR A 59 63.269 -8.607 2.587 1.00 0.00 O ATOM 924 CG2 THR A 59 60.902 -8.152 2.639 1.00 0.00 C ATOM 0 H THR A 59 62.912 -7.010 0.605 1.00 0.00 H new ATOM 0 HA THR A 59 61.962 -5.552 3.089 1.00 0.00 H new ATOM 0 HB THR A 59 62.329 -7.721 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.824 -9.347 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.699 -9.159 3.003 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.154 -7.465 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.862 -8.145 1.550 1.00 0.00 H new ATOM 932 N ASP A 60 64.366 -5.567 4.063 1.00 0.00 N ATOM 933 CA ASP A 60 65.772 -5.188 4.378 1.00 0.00 C ATOM 934 C ASP A 60 66.694 -6.405 4.241 1.00 0.00 C ATOM 935 O ASP A 60 67.901 -6.294 4.324 1.00 0.00 O ATOM 936 CB ASP A 60 65.736 -4.701 5.829 1.00 0.00 C ATOM 937 CG ASP A 60 65.345 -5.861 6.746 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.707 -6.783 6.264 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.689 -5.808 7.916 1.00 0.00 O ATOM 0 H ASP A 60 63.718 -5.523 4.850 1.00 0.00 H new ATOM 0 HA ASP A 60 66.155 -4.424 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.711 -4.309 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 60 65.021 -3.885 5.932 1.00 0.00 H new ATOM 944 N ASP A 61 66.135 -7.567 4.033 1.00 0.00 N ATOM 945 CA ASP A 61 66.982 -8.787 3.891 1.00 0.00 C ATOM 946 C ASP A 61 66.914 -9.311 2.453 1.00 0.00 C ATOM 947 O ASP A 61 67.794 -10.012 1.997 1.00 0.00 O ATOM 948 CB ASP A 61 66.381 -9.805 4.861 1.00 0.00 C ATOM 949 CG ASP A 61 67.364 -10.071 6.004 1.00 0.00 C ATOM 950 OD1 ASP A 61 68.477 -9.574 5.931 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.989 -10.769 6.931 1.00 0.00 O ATOM 0 H ASP A 61 65.130 -7.724 3.955 1.00 0.00 H new ATOM 0 HA ASP A 61 68.031 -8.589 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.438 -9.430 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.158 -10.734 4.336 1.00 0.00 H new ATOM 956 N CYS A 62 65.877 -8.972 1.736 1.00 0.00 N ATOM 957 CA CYS A 62 65.756 -9.448 0.327 1.00 0.00 C ATOM 958 C CYS A 62 66.532 -8.523 -0.613 1.00 0.00 C ATOM 959 O CYS A 62 66.371 -8.568 -1.815 1.00 0.00 O ATOM 960 CB CYS A 62 64.261 -9.396 0.016 1.00 0.00 C ATOM 961 SG CYS A 62 63.476 -10.933 0.563 1.00 0.00 S ATOM 0 H CYS A 62 65.109 -8.387 2.064 1.00 0.00 H new ATOM 0 HA CYS A 62 66.164 -10.450 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.804 -8.543 0.518 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.106 -9.257 -1.054 1.00 0.00 H new ATOM 0 HG CYS A 62 62.204 -10.888 0.300 1.00 0.00 H new ATOM 967 N PHE A 63 67.373 -7.682 -0.071 1.00 0.00 N ATOM 968 CA PHE A 63 68.164 -6.753 -0.929 1.00 0.00 C ATOM 969 C PHE A 63 69.586 -7.294 -1.116 1.00 0.00 C ATOM 970 O PHE A 63 70.434 -7.111 -0.266 1.00 0.00 O ATOM 971 CB PHE A 63 68.190 -5.434 -0.155 1.00 0.00 C ATOM 972 CG PHE A 63 66.945 -4.638 -0.463 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.494 -4.523 -1.784 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.240 -4.014 0.574 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.340 -3.781 -2.067 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.087 -3.272 0.290 1.00 0.00 C ATOM 977 CZ PHE A 63 64.637 -3.157 -1.030 1.00 0.00 C ATOM 0 H PHE A 63 67.546 -7.599 0.931 1.00 0.00 H new ATOM 0 HA PHE A 63 67.734 -6.635 -1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.252 -5.631 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.076 -4.860 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.036 -5.006 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.586 -4.105 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 63 64.993 -3.690 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.545 -2.789 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.747 -2.586 -1.249 1.00 0.00 H new ATOM 987 N PRO A 64 69.797 -7.948 -2.226 1.00 0.00 N ATOM 988 CA PRO A 64 71.131 -8.526 -2.527 1.00 0.00 C ATOM 989 C PRO A 64 72.137 -7.415 -2.849 1.00 0.00 C ATOM 990 O PRO A 64 72.773 -6.868 -1.971 1.00 0.00 O ATOM 991 CB PRO A 64 70.873 -9.404 -3.748 1.00 0.00 C ATOM 992 CG PRO A 64 69.661 -8.815 -4.397 1.00 0.00 C ATOM 993 CD PRO A 64 68.829 -8.209 -3.297 1.00 0.00 C ATOM 0 HA PRO A 64 71.556 -9.083 -1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.726 -9.398 -4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.702 -10.441 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.944 -8.059 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 64 69.098 -9.581 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.339 -7.292 -3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 64 68.044 -8.890 -2.969 1.00 0.00 H new ATOM 1001 N GLY A 65 72.285 -7.077 -4.101 1.00 0.00 N ATOM 1002 CA GLY A 65 73.249 -6.004 -4.472 1.00 0.00 C ATOM 1003 C GLY A 65 72.546 -4.977 -5.361 1.00 0.00 C ATOM 1004 O GLY A 65 72.882 -4.811 -6.518 1.00 0.00 O ATOM 0 H GLY A 65 71.781 -7.497 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.636 -5.521 -3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.103 -6.432 -4.997 1.00 0.00 H new ATOM 1008 N LEU A 66 71.573 -4.287 -4.831 1.00 0.00 N ATOM 1009 CA LEU A 66 70.850 -3.270 -5.648 1.00 0.00 C ATOM 1010 C LEU A 66 71.844 -2.456 -6.477 1.00 0.00 C ATOM 1011 O LEU A 66 73.024 -2.433 -6.187 1.00 0.00 O ATOM 1012 CB LEU A 66 70.142 -2.370 -4.633 1.00 0.00 C ATOM 1013 CG LEU A 66 69.119 -3.186 -3.842 1.00 0.00 C ATOM 1014 CD1 LEU A 66 68.921 -2.555 -2.462 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.786 -3.191 -4.593 1.00 0.00 C ATOM 0 H LEU A 66 71.248 -4.383 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 66 70.149 -3.728 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.871 -1.928 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.645 -1.547 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 66 69.479 -4.208 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.192 -3.136 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.870 -2.546 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.560 -1.533 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 66 67.054 -3.772 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.428 -2.168 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.925 -3.637 -5.578 1.00 0.00 H new ATOM 1027 N PRO A 67 71.327 -1.810 -7.483 1.00 0.00 N ATOM 1028 CA PRO A 67 72.174 -0.976 -8.369 1.00 0.00 C ATOM 1029 C PRO A 67 72.615 0.295 -7.637 1.00 0.00 C ATOM 1030 O PRO A 67 72.053 0.666 -6.626 1.00 0.00 O ATOM 1031 CB PRO A 67 71.251 -0.646 -9.538 1.00 0.00 C ATOM 1032 CG PRO A 67 69.867 -0.765 -8.985 1.00 0.00 C ATOM 1033 CD PRO A 67 69.917 -1.794 -7.887 1.00 0.00 C ATOM 0 HA PRO A 67 73.089 -1.474 -8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.439 0.358 -9.918 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.405 -1.335 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.523 0.194 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.166 -1.066 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.266 -1.523 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.592 -2.772 -8.241 1.00 0.00 H new ATOM 1041 N ASN A 68 73.621 0.959 -8.134 1.00 0.00 N ATOM 1042 CA ASN A 68 74.102 2.199 -7.461 1.00 0.00 C ATOM 1043 C ASN A 68 72.921 3.057 -7.007 1.00 0.00 C ATOM 1044 O ASN A 68 71.861 3.040 -7.600 1.00 0.00 O ATOM 1045 CB ASN A 68 74.928 2.931 -8.521 1.00 0.00 C ATOM 1046 CG ASN A 68 73.993 3.558 -9.557 1.00 0.00 C ATOM 1047 OD1 ASN A 68 73.223 2.788 -10.279 1.00 0.00 O flip ATOM 1048 ND2 ASN A 68 73.962 4.763 -9.715 1.00 0.00 N flip ATOM 0 H ASN A 68 74.131 0.697 -8.977 1.00 0.00 H new ATOM 0 HA ASN A 68 74.687 1.980 -6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.538 3.703 -8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 68 75.612 2.236 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 68 74.562 5.367 -9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 68 73.336 5.170 -10.410 1.00 0.00 H new ATOM 1055 N ASP A 69 73.098 3.804 -5.952 1.00 0.00 N ATOM 1056 CA ASP A 69 71.988 4.659 -5.448 1.00 0.00 C ATOM 1057 C ASP A 69 70.677 3.878 -5.477 1.00 0.00 C ATOM 1058 O ASP A 69 69.631 4.410 -5.789 1.00 0.00 O ATOM 1059 CB ASP A 69 71.930 5.851 -6.403 1.00 0.00 C ATOM 1060 CG ASP A 69 72.656 7.043 -5.776 1.00 0.00 C ATOM 1061 OD1 ASP A 69 72.044 7.728 -4.974 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.811 7.253 -6.112 1.00 0.00 O ATOM 0 H ASP A 69 73.965 3.859 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 69 72.147 4.980 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.392 5.590 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.893 6.113 -6.613 1.00 0.00 H new ATOM 1067 N ALA A 70 70.734 2.618 -5.152 1.00 0.00 N ATOM 1068 CA ALA A 70 69.494 1.786 -5.153 1.00 0.00 C ATOM 1069 C ALA A 70 68.323 2.582 -4.567 1.00 0.00 C ATOM 1070 O ALA A 70 68.282 2.866 -3.386 1.00 0.00 O ATOM 1071 CB ALA A 70 69.820 0.582 -4.267 1.00 0.00 C ATOM 0 H ALA A 70 71.586 2.125 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 70 69.202 1.483 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 70 68.954 -0.079 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.667 0.040 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.071 0.926 -3.264 1.00 0.00 H new ATOM 1077 N GLU A 71 67.373 2.947 -5.386 1.00 0.00 N ATOM 1078 CA GLU A 71 66.207 3.727 -4.878 1.00 0.00 C ATOM 1079 C GLU A 71 65.316 2.843 -4.002 1.00 0.00 C ATOM 1080 O GLU A 71 64.513 2.072 -4.491 1.00 0.00 O ATOM 1081 CB GLU A 71 65.453 4.170 -6.132 1.00 0.00 C ATOM 1082 CG GLU A 71 65.046 5.639 -5.995 1.00 0.00 C ATOM 1083 CD GLU A 71 66.296 6.503 -5.821 1.00 0.00 C ATOM 1084 OE1 GLU A 71 67.054 6.612 -6.771 1.00 0.00 O ATOM 1085 OE2 GLU A 71 66.474 7.042 -4.741 1.00 0.00 O ATOM 0 H GLU A 71 67.354 2.739 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 71 66.514 4.573 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.082 4.037 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.569 3.549 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 71 64.492 5.957 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 71 64.382 5.765 -5.139 1.00 0.00 H new ATOM 1092 N LEU A 72 65.449 2.951 -2.709 1.00 0.00 N ATOM 1093 CA LEU A 72 64.609 2.119 -1.801 1.00 0.00 C ATOM 1094 C LEU A 72 63.667 3.011 -0.991 1.00 0.00 C ATOM 1095 O LEU A 72 63.910 4.190 -0.815 1.00 0.00 O ATOM 1096 CB LEU A 72 65.601 1.413 -0.877 1.00 0.00 C ATOM 1097 CG LEU A 72 65.896 0.013 -1.416 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.698 0.125 -2.713 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.708 -0.768 -0.380 1.00 0.00 C ATOM 0 H LEU A 72 66.103 3.579 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 72 63.987 1.411 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.524 1.989 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.191 1.347 0.131 1.00 0.00 H new ATOM 0 HG LEU A 72 64.959 -0.507 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.909 -0.873 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 66.122 0.684 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.636 0.644 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.920 -1.767 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.646 -0.248 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.137 -0.847 0.545 1.00 0.00 H new ATOM 1111 N LEU A 73 62.594 2.462 -0.492 1.00 0.00 N ATOM 1112 CA LEU A 73 61.644 3.284 0.309 1.00 0.00 C ATOM 1113 C LEU A 73 61.126 2.486 1.507 1.00 0.00 C ATOM 1114 O LEU A 73 60.466 1.478 1.357 1.00 0.00 O ATOM 1115 CB LEU A 73 60.495 3.616 -0.643 1.00 0.00 C ATOM 1116 CG LEU A 73 59.511 4.552 0.061 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.470 5.895 -0.668 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.116 3.922 0.052 1.00 0.00 C ATOM 0 H LEU A 73 62.334 1.482 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 73 62.119 4.182 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.881 4.088 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.988 2.702 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 73 59.833 4.710 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.768 6.561 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.464 6.343 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.149 5.740 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.413 4.587 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.795 3.764 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.145 2.966 0.574 1.00 0.00 H new ATOM 1130 N LEU A 74 61.420 2.935 2.696 1.00 0.00 N ATOM 1131 CA LEU A 74 60.943 2.211 3.906 1.00 0.00 C ATOM 1132 C LEU A 74 59.430 2.378 4.052 1.00 0.00 C ATOM 1133 O LEU A 74 58.868 3.380 3.656 1.00 0.00 O ATOM 1134 CB LEU A 74 61.671 2.878 5.073 1.00 0.00 C ATOM 1135 CG LEU A 74 61.387 2.103 6.359 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.419 0.984 6.517 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.476 3.056 7.553 1.00 0.00 C ATOM 0 H LEU A 74 61.971 3.773 2.881 1.00 0.00 H new ATOM 0 HA LEU A 74 61.143 1.141 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.743 2.903 4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 74 61.342 3.912 5.178 1.00 0.00 H new ATOM 0 HG LEU A 74 60.388 1.669 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.218 0.430 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.357 0.308 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.419 1.415 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.274 2.507 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.476 3.488 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.742 3.853 7.438 1.00 0.00 H new ATOM 1149 N LEU A 75 58.761 1.405 4.607 1.00 0.00 N ATOM 1150 CA LEU A 75 57.285 1.520 4.763 1.00 0.00 C ATOM 1151 C LEU A 75 56.816 0.671 5.946 1.00 0.00 C ATOM 1152 O LEU A 75 57.456 -0.289 6.323 1.00 0.00 O ATOM 1153 CB LEU A 75 56.722 0.984 3.443 1.00 0.00 C ATOM 1154 CG LEU A 75 55.271 0.540 3.631 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.501 0.771 2.332 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.236 -0.950 3.985 1.00 0.00 C ATOM 0 H LEU A 75 59.171 0.539 4.958 1.00 0.00 H new ATOM 0 HA LEU A 75 56.956 2.539 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.778 1.756 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.325 0.145 3.096 1.00 0.00 H new ATOM 0 HG LEU A 75 54.813 1.116 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.466 0.456 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.528 1.830 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 75 54.959 0.192 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.202 -1.268 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.691 -1.526 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.790 -1.118 4.909 1.00 0.00 H new ATOM 1168 N THR A 76 55.701 1.011 6.530 1.00 0.00 N ATOM 1169 CA THR A 76 55.197 0.210 7.680 1.00 0.00 C ATOM 1170 C THR A 76 53.692 -0.034 7.534 1.00 0.00 C ATOM 1171 O THR A 76 53.048 0.508 6.659 1.00 0.00 O ATOM 1172 CB THR A 76 55.485 1.048 8.927 1.00 0.00 C ATOM 1173 OG1 THR A 76 55.048 2.383 8.714 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.988 1.039 9.219 1.00 0.00 C ATOM 0 H THR A 76 55.119 1.805 6.262 1.00 0.00 H new ATOM 0 HA THR A 76 55.678 -0.767 7.735 1.00 0.00 H new ATOM 0 HB THR A 76 54.951 0.624 9.778 1.00 0.00 H new ATOM 0 HG1 THR A 76 55.231 2.919 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 76 57.190 1.637 10.108 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.320 0.015 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 76 57.526 1.459 8.369 1.00 0.00 H new ATOM 1182 N ALA A 77 53.130 -0.848 8.384 1.00 0.00 N ATOM 1183 CA ALA A 77 51.669 -1.130 8.292 1.00 0.00 C ATOM 1184 C ALA A 77 50.877 0.179 8.257 1.00 0.00 C ATOM 1185 O ALA A 77 49.830 0.267 7.647 1.00 0.00 O ATOM 1186 CB ALA A 77 51.338 -1.923 9.556 1.00 0.00 C ATOM 0 H ALA A 77 53.619 -1.330 9.138 1.00 0.00 H new ATOM 0 HA ALA A 77 51.412 -1.680 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 77 50.276 -2.170 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.924 -2.842 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.577 -1.324 10.435 1.00 0.00 H new ATOM 1192 N GLY A 78 51.368 1.198 8.908 1.00 0.00 N ATOM 1193 CA GLY A 78 50.643 2.498 8.910 1.00 0.00 C ATOM 1194 C GLY A 78 51.061 3.318 7.688 1.00 0.00 C ATOM 1195 O GLY A 78 50.857 4.515 7.634 1.00 0.00 O ATOM 0 H GLY A 78 52.239 1.186 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.567 2.326 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.865 3.049 9.824 1.00 0.00 H new ATOM 1199 N GLU A 79 51.646 2.688 6.706 1.00 0.00 N ATOM 1200 CA GLU A 79 52.076 3.440 5.493 1.00 0.00 C ATOM 1201 C GLU A 79 52.028 2.538 4.255 1.00 0.00 C ATOM 1202 O GLU A 79 52.228 1.342 4.337 1.00 0.00 O ATOM 1203 CB GLU A 79 53.512 3.871 5.786 1.00 0.00 C ATOM 1204 CG GLU A 79 53.552 5.381 6.029 1.00 0.00 C ATOM 1205 CD GLU A 79 52.940 6.107 4.830 1.00 0.00 C ATOM 1206 OE1 GLU A 79 52.636 5.445 3.852 1.00 0.00 O ATOM 1207 OE2 GLU A 79 52.785 7.316 4.911 1.00 0.00 O ATOM 0 H GLU A 79 51.844 1.688 6.691 1.00 0.00 H new ATOM 0 HA GLU A 79 51.426 4.290 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.891 3.341 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 79 54.159 3.609 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 79 53.002 5.629 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 79 54.581 5.709 6.180 1.00 0.00 H new ATOM 1214 N THR A 80 51.769 3.108 3.109 1.00 0.00 N ATOM 1215 CA THR A 80 51.710 2.292 1.860 1.00 0.00 C ATOM 1216 C THR A 80 52.224 3.115 0.675 1.00 0.00 C ATOM 1217 O THR A 80 51.873 4.266 0.509 1.00 0.00 O ATOM 1218 CB THR A 80 50.232 1.945 1.672 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.446 2.697 2.589 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.026 0.449 1.917 1.00 0.00 C ATOM 0 H THR A 80 51.595 4.105 2.983 1.00 0.00 H new ATOM 0 HA THR A 80 52.328 1.396 1.923 1.00 0.00 H new ATOM 0 HB THR A 80 49.926 2.189 0.655 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.499 2.475 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.973 0.200 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.627 -0.122 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.331 0.201 2.934 1.00 0.00 H new ATOM 1228 N TRP A 81 53.054 2.536 -0.148 1.00 0.00 N ATOM 1229 CA TRP A 81 53.590 3.291 -1.317 1.00 0.00 C ATOM 1230 C TRP A 81 52.878 2.860 -2.603 1.00 0.00 C ATOM 1231 O TRP A 81 52.709 1.686 -2.867 1.00 0.00 O ATOM 1232 CB TRP A 81 55.074 2.927 -1.378 1.00 0.00 C ATOM 1233 CG TRP A 81 55.656 3.418 -2.665 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.510 2.719 -3.448 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.445 4.697 -3.331 1.00 0.00 C ATOM 1236 NE1 TRP A 81 56.836 3.487 -4.551 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.205 4.714 -4.524 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.674 5.831 -3.019 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.201 5.818 -5.377 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.668 6.944 -3.875 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.430 6.937 -5.052 1.00 0.00 C ATOM 0 H TRP A 81 53.384 1.575 -0.063 1.00 0.00 H new ATOM 0 HA TRP A 81 53.437 4.366 -1.217 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.603 3.371 -0.535 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.198 1.847 -1.299 1.00 0.00 H new ATOM 0 HD1 TRP A 81 56.877 1.724 -3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.466 3.184 -5.294 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.083 5.846 -2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 56.790 5.808 -6.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.073 7.810 -3.625 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.421 7.796 -5.707 1.00 0.00 H new ATOM 1252 N HIS A 82 52.459 3.802 -3.403 1.00 0.00 N ATOM 1253 CA HIS A 82 51.759 3.450 -4.671 1.00 0.00 C ATOM 1254 C HIS A 82 52.780 3.086 -5.754 1.00 0.00 C ATOM 1255 O HIS A 82 53.071 1.928 -5.981 1.00 0.00 O ATOM 1256 CB HIS A 82 50.986 4.712 -5.059 1.00 0.00 C ATOM 1257 CG HIS A 82 49.711 4.786 -4.265 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.595 4.235 -2.998 1.00 0.00 N ATOM 1259 CD2 HIS A 82 48.487 5.343 -4.544 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.342 4.467 -2.567 1.00 0.00 C ATOM 1261 NE2 HIS A 82 47.624 5.140 -3.471 1.00 0.00 N ATOM 0 H HIS A 82 52.571 4.801 -3.233 1.00 0.00 H new ATOM 0 HA HIS A 82 51.100 2.589 -4.556 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.595 5.596 -4.871 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.762 4.700 -6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 82 48.233 5.860 -5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 82 47.963 4.148 -1.607 1.00 0.00 H new ATOM 0 HE2 HIS A 82 46.652 5.440 -3.392 1.00 0.00 H new ATOM 1269 N GLY A 83 53.327 4.065 -6.422 1.00 0.00 N ATOM 1270 CA GLY A 83 54.329 3.773 -7.488 1.00 0.00 C ATOM 1271 C GLY A 83 54.994 5.077 -7.932 1.00 0.00 C ATOM 1272 O GLY A 83 54.456 6.152 -7.754 1.00 0.00 O ATOM 0 H GLY A 83 53.124 5.054 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 83 55.081 3.077 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 83 53.843 3.292 -8.337 1.00 0.00 H new ATOM 1276 N TYR A 84 56.161 4.993 -8.510 1.00 0.00 N ATOM 1277 CA TYR A 84 56.858 6.230 -8.964 1.00 0.00 C ATOM 1278 C TYR A 84 56.214 6.756 -10.250 1.00 0.00 C ATOM 1279 O TYR A 84 56.578 6.369 -11.342 1.00 0.00 O ATOM 1280 CB TYR A 84 58.302 5.800 -9.224 1.00 0.00 C ATOM 1281 CG TYR A 84 59.070 6.948 -9.835 1.00 0.00 C ATOM 1282 CD1 TYR A 84 59.154 8.172 -9.160 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.698 6.789 -11.075 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.867 9.236 -9.725 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.411 7.853 -11.641 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.495 9.076 -10.966 1.00 0.00 C ATOM 1287 OH TYR A 84 61.198 10.125 -11.524 1.00 0.00 O ATOM 0 H TYR A 84 56.662 4.122 -8.687 1.00 0.00 H new ATOM 0 HA TYR A 84 56.799 7.031 -8.228 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.773 5.489 -8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.321 4.940 -9.893 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.669 8.295 -8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 84 59.633 5.845 -11.596 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.933 10.180 -9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 84 60.896 7.730 -12.598 1.00 0.00 H new ATOM 0 HH TYR A 84 61.573 9.846 -12.386 1.00 0.00 H new