USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HE2:sc= -0.911 K(o=-1.9,f=-3.1!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.977 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -56:sc= 0.0544 USER MOD Single : A 20 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.36) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 28 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.621) USER MOD Single : A 48 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-8.3!) USER MOD Single : A 49 SER OG : rot -91:sc= 1.11 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.51 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.184 USER MOD Single : A 66 LYS NZ :NH3+ 136:sc= -0.0224 (180deg=-0.841) USER MOD Single : A 67 TYR OH : rot -143:sc= 1.23 USER MOD Single : A 74 HIS : no HE2:sc= -0.777 K(o=-0.78,f=-4.2!) USER MOD Single : A 76 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.26) USER MOD Single : A 79 HIS : no HE2:sc= -7.67! C(o=-7.7!,f=-11!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 1.03 F(o=-0.3,f=1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.696 18.030 -3.754 1.00 0.00 N ATOM 90 CA ASP A 10 -6.052 17.214 -4.908 1.00 0.00 C ATOM 91 C ASP A 10 -5.945 15.729 -4.578 1.00 0.00 C ATOM 92 O ASP A 10 -5.508 14.928 -5.404 1.00 0.00 O ATOM 93 CB ASP A 10 -5.148 17.551 -6.096 1.00 0.00 C ATOM 94 CG ASP A 10 -4.981 19.045 -6.290 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.262 19.672 -5.483 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.567 19.588 -7.250 1.00 0.00 O ATOM 0 HA ASP A 10 -7.086 17.435 -5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.169 17.095 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.566 17.114 -7.003 1.00 0.00 H new ATOM 101 N ALA A 11 -6.347 15.368 -3.363 1.00 0.00 N ATOM 102 CA ALA A 11 -6.297 13.979 -2.923 1.00 0.00 C ATOM 103 C ALA A 11 -7.002 13.063 -3.918 1.00 0.00 C ATOM 104 O ALA A 11 -6.522 11.970 -4.217 1.00 0.00 O ATOM 105 CB ALA A 11 -6.919 13.840 -1.542 1.00 0.00 C ATOM 0 H ALA A 11 -6.711 16.018 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.251 13.678 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.875 12.798 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.370 14.458 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.959 14.165 -1.577 1.00 0.00 H new ATOM 111 N ARG A 12 -8.144 13.516 -4.426 1.00 0.00 N ATOM 112 CA ARG A 12 -8.916 12.735 -5.385 1.00 0.00 C ATOM 113 C ARG A 12 -8.123 12.516 -6.671 1.00 0.00 C ATOM 114 O ARG A 12 -8.469 11.661 -7.486 1.00 0.00 O ATOM 115 CB ARG A 12 -10.237 13.439 -5.702 1.00 0.00 C ATOM 116 CG ARG A 12 -11.218 13.443 -4.540 1.00 0.00 C ATOM 117 CD ARG A 12 -12.503 14.172 -4.900 1.00 0.00 C ATOM 118 NE ARG A 12 -12.256 15.555 -5.298 1.00 0.00 N ATOM 119 CZ ARG A 12 -12.040 16.541 -4.434 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.041 16.297 -3.130 1.00 0.00 N ATOM 121 NH2 ARG A 12 -11.823 17.774 -4.873 1.00 0.00 N ATOM 0 H ARG A 12 -8.555 14.419 -4.189 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.128 11.763 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.030 14.468 -5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.703 12.951 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.448 12.417 -4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.757 13.920 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.003 13.645 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.180 14.156 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.249 15.776 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.208 15.351 -2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.875 17.056 -2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.822 17.966 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.657 18.530 -4.209 1.00 0.00 H new ATOM 135 N ARG A 13 -7.060 13.294 -6.844 1.00 0.00 N ATOM 136 CA ARG A 13 -6.220 13.187 -8.031 1.00 0.00 C ATOM 137 C ARG A 13 -5.027 12.271 -7.771 1.00 0.00 C ATOM 138 O ARG A 13 -3.877 12.654 -7.991 1.00 0.00 O ATOM 139 CB ARG A 13 -5.730 14.570 -8.462 1.00 0.00 C ATOM 140 CG ARG A 13 -6.665 15.272 -9.433 1.00 0.00 C ATOM 141 CD ARG A 13 -6.520 16.784 -9.352 1.00 0.00 C ATOM 142 NE ARG A 13 -6.905 17.438 -10.600 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.104 17.535 -11.656 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.883 17.022 -11.616 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.526 18.145 -12.756 1.00 0.00 N ATOM 0 H ARG A 13 -6.760 14.005 -6.177 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.820 12.756 -8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.604 15.194 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.748 14.470 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.453 14.939 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.695 14.992 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.137 17.164 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.487 17.037 -9.114 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.839 17.842 -10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.555 16.551 -10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.271 17.098 -12.428 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.466 18.540 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.911 18.219 -13.566 1.00 0.00 H new ATOM 159 N LEU A 14 -5.309 11.060 -7.302 1.00 0.00 N ATOM 160 CA LEU A 14 -4.260 10.089 -7.012 1.00 0.00 C ATOM 161 C LEU A 14 -4.645 8.703 -7.518 1.00 0.00 C ATOM 162 O LEU A 14 -5.734 8.205 -7.230 1.00 0.00 O ATOM 163 CB LEU A 14 -3.988 10.038 -5.507 1.00 0.00 C ATOM 164 CG LEU A 14 -2.933 11.012 -4.982 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.552 12.375 -4.713 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.280 10.463 -3.722 1.00 0.00 C ATOM 0 H LEU A 14 -6.255 10.728 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.354 10.405 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.924 10.230 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.679 9.025 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.163 11.129 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.786 13.055 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.972 12.773 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.342 12.275 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.532 11.169 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.039 10.316 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.801 9.510 -3.946 1.00 0.00 H new ATOM 178 N THR A 15 -3.744 8.083 -8.274 1.00 0.00 N ATOM 179 CA THR A 15 -3.988 6.754 -8.820 1.00 0.00 C ATOM 180 C THR A 15 -3.024 5.731 -8.230 1.00 0.00 C ATOM 181 O THR A 15 -1.831 5.998 -8.086 1.00 0.00 O ATOM 182 CB THR A 15 -3.854 6.744 -10.354 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.612 7.819 -10.920 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.334 5.420 -10.930 1.00 0.00 C ATOM 0 H THR A 15 -2.838 8.481 -8.522 1.00 0.00 H new ATOM 0 HA THR A 15 -5.009 6.484 -8.550 1.00 0.00 H new ATOM 0 HB THR A 15 -2.801 6.872 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.520 7.806 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.230 5.436 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.735 4.607 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.381 5.268 -10.668 1.00 0.00 H new ATOM 192 N VAL A 16 -3.549 4.558 -7.889 1.00 0.00 N ATOM 193 CA VAL A 16 -2.734 3.494 -7.316 1.00 0.00 C ATOM 194 C VAL A 16 -2.239 2.538 -8.396 1.00 0.00 C ATOM 195 O VAL A 16 -2.974 2.201 -9.324 1.00 0.00 O ATOM 196 CB VAL A 16 -3.517 2.695 -6.258 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.677 1.544 -5.727 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.965 3.606 -5.125 1.00 0.00 C ATOM 0 H VAL A 16 -4.535 4.321 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.879 3.973 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.406 2.276 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.247 0.991 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.412 0.878 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.768 1.937 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.517 3.024 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.092 4.056 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.608 4.391 -5.522 1.00 0.00 H new ATOM 208 N MET A 17 -0.989 2.105 -8.268 1.00 0.00 N ATOM 209 CA MET A 17 -0.397 1.186 -9.233 1.00 0.00 C ATOM 210 C MET A 17 0.293 0.024 -8.524 1.00 0.00 C ATOM 211 O MET A 17 0.548 0.082 -7.321 1.00 0.00 O ATOM 212 CB MET A 17 0.605 1.923 -10.123 1.00 0.00 C ATOM 213 CG MET A 17 -0.049 2.771 -11.202 1.00 0.00 C ATOM 214 SD MET A 17 -0.875 1.777 -12.460 1.00 0.00 S ATOM 215 CE MET A 17 -1.226 3.023 -13.698 1.00 0.00 C ATOM 0 H MET A 17 -0.367 2.376 -7.506 1.00 0.00 H new ATOM 0 HA MET A 17 -1.198 0.786 -9.855 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.231 2.562 -9.500 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.264 1.194 -10.595 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.773 3.443 -10.742 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.708 3.395 -11.677 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.738 2.562 -14.543 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.862 3.796 -13.266 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.292 3.470 -14.039 1.00 0.00 H new ATOM 225 N SER A 18 0.592 -1.029 -9.278 1.00 0.00 N ATOM 226 CA SER A 18 1.249 -2.206 -8.720 1.00 0.00 C ATOM 227 C SER A 18 0.532 -2.683 -7.461 1.00 0.00 C ATOM 228 O SER A 18 1.166 -3.004 -6.455 1.00 0.00 O ATOM 229 CB SER A 18 2.713 -1.895 -8.401 1.00 0.00 C ATOM 230 OG SER A 18 3.464 -3.087 -8.245 1.00 0.00 O ATOM 0 H SER A 18 0.390 -1.092 -10.276 1.00 0.00 H new ATOM 0 HA SER A 18 1.208 -3.002 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.143 -1.292 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.772 -1.302 -7.488 1.00 0.00 H new ATOM 0 HG SER A 18 3.050 -3.646 -7.555 1.00 0.00 H new ATOM 236 N LEU A 19 -0.794 -2.728 -7.525 1.00 0.00 N ATOM 237 CA LEU A 19 -1.600 -3.166 -6.390 1.00 0.00 C ATOM 238 C LEU A 19 -2.246 -4.519 -6.671 1.00 0.00 C ATOM 239 O LEU A 19 -3.172 -4.619 -7.475 1.00 0.00 O ATOM 240 CB LEU A 19 -2.679 -2.129 -6.075 1.00 0.00 C ATOM 241 CG LEU A 19 -3.436 -2.325 -4.761 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.670 -1.703 -3.605 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.834 -1.732 -4.857 1.00 0.00 C ATOM 0 H LEU A 19 -1.334 -2.467 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.942 -3.270 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.214 -1.143 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.402 -2.127 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.529 -3.395 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.225 -1.853 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.691 -2.174 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.545 -0.635 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.358 -1.881 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.763 -0.665 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.384 -2.225 -5.659 1.00 0.00 H new ATOM 255 N GLN A 20 -1.752 -5.555 -6.002 1.00 0.00 N ATOM 256 CA GLN A 20 -2.282 -6.902 -6.179 1.00 0.00 C ATOM 257 C GLN A 20 -3.727 -6.985 -5.698 1.00 0.00 C ATOM 258 O GLN A 20 -4.149 -6.215 -4.837 1.00 0.00 O ATOM 259 CB GLN A 20 -1.421 -7.916 -5.424 1.00 0.00 C ATOM 260 CG GLN A 20 -1.545 -9.335 -5.955 1.00 0.00 C ATOM 261 CD GLN A 20 -0.741 -9.557 -7.220 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.182 -9.214 -8.318 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.446 -10.133 -7.074 1.00 0.00 N ATOM 0 H GLN A 20 -0.986 -5.488 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.258 -7.138 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.377 -7.606 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.701 -7.905 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.212 -10.036 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.594 -9.554 -6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.772 -10.401 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.032 -10.308 -7.890 1.00 0.00 H new ATOM 272 N GLU A 21 -4.479 -7.926 -6.260 1.00 0.00 N ATOM 273 CA GLU A 21 -5.877 -8.109 -5.888 1.00 0.00 C ATOM 274 C GLU A 21 -6.091 -9.466 -5.224 1.00 0.00 C ATOM 275 O GLU A 21 -6.410 -9.545 -4.038 1.00 0.00 O ATOM 276 CB GLU A 21 -6.776 -7.984 -7.120 1.00 0.00 C ATOM 277 CG GLU A 21 -7.132 -6.550 -7.472 1.00 0.00 C ATOM 278 CD GLU A 21 -7.877 -6.439 -8.788 1.00 0.00 C ATOM 279 OE1 GLU A 21 -7.399 -7.012 -9.790 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.937 -5.780 -8.817 1.00 0.00 O ATOM 0 H GLU A 21 -4.144 -8.573 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.141 -7.329 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.276 -8.445 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.694 -8.545 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.744 -6.126 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.220 -5.956 -7.524 1.00 0.00 H new ATOM 287 N SER A 22 -5.913 -10.532 -5.998 1.00 0.00 N ATOM 288 CA SER A 22 -6.090 -11.886 -5.487 1.00 0.00 C ATOM 289 C SER A 22 -4.869 -12.747 -5.796 1.00 0.00 C ATOM 290 O SER A 22 -4.972 -13.966 -5.926 1.00 0.00 O ATOM 291 CB SER A 22 -7.343 -12.522 -6.092 1.00 0.00 C ATOM 292 OG SER A 22 -7.276 -12.534 -7.508 1.00 0.00 O ATOM 0 H SER A 22 -5.646 -10.484 -6.981 1.00 0.00 H new ATOM 0 HA SER A 22 -6.207 -11.827 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.452 -13.541 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.226 -11.970 -5.771 1.00 0.00 H new ATOM 0 HG SER A 22 -8.088 -12.947 -7.870 1.00 0.00 H new ATOM 298 N GLY A 23 -3.712 -12.102 -5.912 1.00 0.00 N ATOM 299 CA GLY A 23 -2.487 -12.824 -6.205 1.00 0.00 C ATOM 300 C GLY A 23 -1.378 -12.505 -5.222 1.00 0.00 C ATOM 301 O GLY A 23 -0.197 -12.548 -5.571 1.00 0.00 O ATOM 0 H GLY A 23 -3.601 -11.093 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.687 -13.895 -6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.156 -12.578 -7.214 1.00 0.00 H new ATOM 305 N LEU A 24 -1.755 -12.184 -3.990 1.00 0.00 N ATOM 306 CA LEU A 24 -0.784 -11.855 -2.953 1.00 0.00 C ATOM 307 C LEU A 24 -0.174 -13.120 -2.356 1.00 0.00 C ATOM 308 O LEU A 24 -0.711 -14.216 -2.518 1.00 0.00 O ATOM 309 CB LEU A 24 -1.445 -11.026 -1.851 1.00 0.00 C ATOM 310 CG LEU A 24 -1.455 -9.512 -2.064 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.025 -8.804 -0.845 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.051 -9.007 -2.368 1.00 0.00 C ATOM 0 H LEU A 24 -2.727 -12.144 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 24 0.014 -11.270 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.475 -11.364 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.936 -11.237 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.094 -9.289 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.024 -7.727 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.046 -9.143 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.414 -9.034 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.077 -7.928 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.609 -9.243 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.321 -9.489 -3.272 1.00 0.00 H new ATOM 324 N LYS A 25 0.949 -12.960 -1.665 1.00 0.00 N ATOM 325 CA LYS A 25 1.630 -14.088 -1.040 1.00 0.00 C ATOM 326 C LYS A 25 1.737 -13.891 0.469 1.00 0.00 C ATOM 327 O LYS A 25 2.186 -12.846 0.938 1.00 0.00 O ATOM 328 CB LYS A 25 3.026 -14.263 -1.642 1.00 0.00 C ATOM 329 CG LYS A 25 3.019 -14.911 -3.016 1.00 0.00 C ATOM 330 CD LYS A 25 4.407 -15.382 -3.418 1.00 0.00 C ATOM 331 CE LYS A 25 4.423 -15.918 -4.842 1.00 0.00 C ATOM 332 NZ LYS A 25 4.489 -14.821 -5.846 1.00 0.00 N ATOM 0 H LYS A 25 1.407 -12.060 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 25 1.043 -14.986 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.507 -13.287 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.630 -14.869 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.332 -15.757 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.648 -14.199 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.112 -14.555 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.742 -16.160 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.279 -16.581 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.528 -16.516 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.498 -15.227 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.659 -14.203 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.356 -14.266 -5.697 1.00 0.00 H new ATOM 346 N VAL A 26 1.323 -14.904 1.224 1.00 0.00 N ATOM 347 CA VAL A 26 1.375 -14.843 2.679 1.00 0.00 C ATOM 348 C VAL A 26 2.807 -14.976 3.184 1.00 0.00 C ATOM 349 O VAL A 26 3.627 -15.667 2.582 1.00 0.00 O ATOM 350 CB VAL A 26 0.513 -15.949 3.318 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.960 -15.719 3.016 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.959 -17.319 2.832 1.00 0.00 C ATOM 0 H VAL A 26 0.948 -15.776 0.851 1.00 0.00 H new ATOM 0 HA VAL A 26 0.979 -13.870 2.969 1.00 0.00 H new ATOM 0 HB VAL A 26 0.647 -15.912 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.553 -16.510 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.268 -14.754 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.116 -15.728 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.340 -18.088 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.856 -17.372 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.002 -17.480 3.106 1.00 0.00 H new ATOM 362 N ASN A 27 3.101 -14.308 4.295 1.00 0.00 N ATOM 363 CA ASN A 27 4.436 -14.350 4.882 1.00 0.00 C ATOM 364 C ASN A 27 5.486 -13.884 3.879 1.00 0.00 C ATOM 365 O ASN A 27 6.574 -14.453 3.796 1.00 0.00 O ATOM 366 CB ASN A 27 4.761 -15.768 5.357 1.00 0.00 C ATOM 367 CG ASN A 27 4.036 -16.129 6.639 1.00 0.00 C ATOM 368 OD1 ASN A 27 4.262 -15.521 7.686 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.160 -17.123 6.563 1.00 0.00 N ATOM 0 H ASN A 27 2.433 -13.731 4.807 1.00 0.00 H new ATOM 0 HA ASN A 27 4.452 -13.674 5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.491 -16.480 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.836 -15.859 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.642 -17.411 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.004 -17.599 5.674 1.00 0.00 H new ATOM 376 N GLN A 28 5.152 -12.845 3.120 1.00 0.00 N ATOM 377 CA GLN A 28 6.067 -12.303 2.123 1.00 0.00 C ATOM 378 C GLN A 28 5.903 -10.792 1.997 1.00 0.00 C ATOM 379 O GLN A 28 4.791 -10.267 1.933 1.00 0.00 O ATOM 380 CB GLN A 28 5.829 -12.968 0.766 1.00 0.00 C ATOM 381 CG GLN A 28 6.646 -14.233 0.556 1.00 0.00 C ATOM 382 CD GLN A 28 6.834 -14.569 -0.910 1.00 0.00 C ATOM 383 OE1 GLN A 28 6.908 -13.680 -1.758 1.00 0.00 O ATOM 384 NE2 GLN A 28 6.914 -15.859 -1.216 1.00 0.00 N ATOM 0 H GLN A 28 4.255 -12.362 3.177 1.00 0.00 H new ATOM 0 HA GLN A 28 7.085 -12.514 2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.770 -13.209 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.067 -12.256 -0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.622 -14.113 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.153 -15.067 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.848 -16.563 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.042 -16.146 -2.186 1.00 0.00 H new ATOM 393 N PRO A 29 7.035 -10.074 1.963 1.00 0.00 N ATOM 394 CA PRO A 29 7.042 -8.613 1.845 1.00 0.00 C ATOM 395 C PRO A 29 6.585 -8.140 0.469 1.00 0.00 C ATOM 396 O PRO A 29 7.202 -8.461 -0.545 1.00 0.00 O ATOM 397 CB PRO A 29 8.511 -8.246 2.075 1.00 0.00 C ATOM 398 CG PRO A 29 9.272 -9.464 1.680 1.00 0.00 C ATOM 399 CD PRO A 29 8.395 -10.633 2.035 1.00 0.00 C ATOM 0 HA PRO A 29 6.355 -8.144 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.803 -7.385 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.695 -7.985 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.497 -9.455 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.225 -9.517 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.527 -11.460 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.620 -11.016 3.030 1.00 0.00 H new ATOM 407 N ALA A 30 5.498 -7.375 0.443 1.00 0.00 N ATOM 408 CA ALA A 30 4.960 -6.855 -0.808 1.00 0.00 C ATOM 409 C ALA A 30 4.852 -5.335 -0.770 1.00 0.00 C ATOM 410 O ALA A 30 4.462 -4.756 0.244 1.00 0.00 O ATOM 411 CB ALA A 30 3.600 -7.476 -1.095 1.00 0.00 C ATOM 0 H ALA A 30 4.973 -7.102 1.274 1.00 0.00 H new ATOM 0 HA ALA A 30 5.647 -7.124 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.209 -7.079 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.704 -8.558 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.912 -7.236 -0.284 1.00 0.00 H new ATOM 417 N SER A 31 5.200 -4.693 -1.881 1.00 0.00 N ATOM 418 CA SER A 31 5.146 -3.239 -1.973 1.00 0.00 C ATOM 419 C SER A 31 4.483 -2.801 -3.275 1.00 0.00 C ATOM 420 O SER A 31 4.465 -3.545 -4.256 1.00 0.00 O ATOM 421 CB SER A 31 6.554 -2.649 -1.880 1.00 0.00 C ATOM 422 OG SER A 31 7.342 -3.032 -2.994 1.00 0.00 O ATOM 0 H SER A 31 5.522 -5.157 -2.730 1.00 0.00 H new ATOM 0 HA SER A 31 4.549 -2.869 -1.140 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.494 -1.562 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.032 -2.984 -0.960 1.00 0.00 H new ATOM 0 HG SER A 31 8.237 -2.641 -2.912 1.00 0.00 H new ATOM 428 N PHE A 32 3.940 -1.588 -3.276 1.00 0.00 N ATOM 429 CA PHE A 32 3.274 -1.050 -4.457 1.00 0.00 C ATOM 430 C PHE A 32 3.714 0.387 -4.721 1.00 0.00 C ATOM 431 O PHE A 32 4.320 1.029 -3.865 1.00 0.00 O ATOM 432 CB PHE A 32 1.755 -1.107 -4.283 1.00 0.00 C ATOM 433 CG PHE A 32 1.270 -0.428 -3.034 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.990 0.929 -3.030 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.093 -1.148 -1.863 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.542 1.556 -1.883 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.646 -0.526 -0.712 1.00 0.00 C ATOM 438 CZ PHE A 32 0.371 0.828 -0.722 1.00 0.00 C ATOM 0 H PHE A 32 3.948 -0.959 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 32 3.557 -1.662 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.280 -0.643 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.438 -2.150 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.124 1.504 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.307 -2.207 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.326 2.614 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.512 -1.098 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.023 1.316 0.176 1.00 0.00 H new ATOM 448 N ALA A 33 3.405 0.884 -5.914 1.00 0.00 N ATOM 449 CA ALA A 33 3.766 2.245 -6.292 1.00 0.00 C ATOM 450 C ALA A 33 2.527 3.122 -6.435 1.00 0.00 C ATOM 451 O ALA A 33 1.492 2.675 -6.930 1.00 0.00 O ATOM 452 CB ALA A 33 4.563 2.238 -7.588 1.00 0.00 C ATOM 0 H ALA A 33 2.905 0.364 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 33 4.386 2.664 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.826 3.261 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.473 1.653 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.962 1.795 -8.382 1.00 0.00 H new ATOM 458 N ILE A 34 2.640 4.372 -5.998 1.00 0.00 N ATOM 459 CA ILE A 34 1.528 5.312 -6.078 1.00 0.00 C ATOM 460 C ILE A 34 1.789 6.384 -7.131 1.00 0.00 C ATOM 461 O ILE A 34 2.871 6.969 -7.180 1.00 0.00 O ATOM 462 CB ILE A 34 1.268 5.992 -4.722 1.00 0.00 C ATOM 463 CG1 ILE A 34 0.978 4.943 -3.647 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.111 6.975 -4.835 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.248 5.428 -2.240 1.00 0.00 C ATOM 0 H ILE A 34 3.490 4.757 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 34 0.647 4.736 -6.361 1.00 0.00 H new ATOM 0 HB ILE A 34 2.162 6.544 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.065 4.636 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.585 4.059 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.061 7.448 -3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.353 7.739 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.789 6.444 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.020 4.632 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.297 5.708 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.621 6.294 -2.027 1.00 0.00 H new ATOM 477 N ARG A 35 0.791 6.637 -7.970 1.00 0.00 N ATOM 478 CA ARG A 35 0.912 7.640 -9.022 1.00 0.00 C ATOM 479 C ARG A 35 0.302 8.967 -8.580 1.00 0.00 C ATOM 480 O ARG A 35 -0.792 9.003 -8.016 1.00 0.00 O ATOM 481 CB ARG A 35 0.229 7.153 -10.301 1.00 0.00 C ATOM 482 CG ARG A 35 -0.299 8.279 -11.175 1.00 0.00 C ATOM 483 CD ARG A 35 -0.283 7.896 -12.647 1.00 0.00 C ATOM 484 NE ARG A 35 1.075 7.680 -13.141 1.00 0.00 N ATOM 485 CZ ARG A 35 1.352 7.277 -14.376 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.371 7.048 -15.238 1.00 0.00 N ATOM 487 NH2 ARG A 35 2.613 7.103 -14.751 1.00 0.00 N ATOM 0 H ARG A 35 -0.111 6.162 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 35 1.972 7.796 -9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.938 6.558 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.597 6.494 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.316 8.528 -10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.306 9.173 -11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.870 6.989 -12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.761 8.682 -13.232 1.00 0.00 H new ATOM 0 HE ARG A 35 1.853 7.848 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.599 7.181 -14.953 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.587 6.739 -16.186 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.370 7.279 -14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.825 6.793 -15.700 1.00 0.00 H new ATOM 501 N LEU A 36 1.018 10.056 -8.839 1.00 0.00 N ATOM 502 CA LEU A 36 0.548 11.386 -8.469 1.00 0.00 C ATOM 503 C LEU A 36 0.368 12.264 -9.703 1.00 0.00 C ATOM 504 O LEU A 36 1.325 12.541 -10.424 1.00 0.00 O ATOM 505 CB LEU A 36 1.532 12.045 -7.500 1.00 0.00 C ATOM 506 CG LEU A 36 1.902 11.229 -6.261 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.033 11.900 -5.497 1.00 0.00 C ATOM 508 CD2 LEU A 36 0.687 11.042 -5.363 1.00 0.00 C ATOM 0 H LEU A 36 1.926 10.044 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.419 11.278 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.447 12.276 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.108 12.994 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 36 2.244 10.246 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.282 11.305 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.909 11.981 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.720 12.896 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.969 10.459 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.315 12.016 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.094 10.516 -5.912 1.00 0.00 H new ATOM 520 N ASN A 37 -0.865 12.700 -9.938 1.00 0.00 N ATOM 521 CA ASN A 37 -1.171 13.548 -11.085 1.00 0.00 C ATOM 522 C ASN A 37 -0.902 15.015 -10.763 1.00 0.00 C ATOM 523 O ASN A 37 -1.474 15.912 -11.382 1.00 0.00 O ATOM 524 CB ASN A 37 -2.630 13.365 -11.506 1.00 0.00 C ATOM 525 CG ASN A 37 -2.872 12.035 -12.192 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.842 11.942 -13.419 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.114 10.996 -11.400 1.00 0.00 N ATOM 0 H ASN A 37 -1.669 12.480 -9.350 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.523 13.251 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.271 13.439 -10.627 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.916 14.174 -12.178 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.284 10.075 -11.804 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.129 11.119 -10.388 1.00 0.00 H new ATOM 534 N GLY A 38 -0.028 15.251 -9.790 1.00 0.00 N ATOM 535 CA GLY A 38 0.302 16.611 -9.403 1.00 0.00 C ATOM 536 C GLY A 38 -0.296 16.993 -8.064 1.00 0.00 C ATOM 537 O GLY A 38 -0.649 18.151 -7.842 1.00 0.00 O ATOM 0 H GLY A 38 0.458 14.525 -9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.386 16.720 -9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.056 17.300 -10.168 1.00 0.00 H new ATOM 541 N ALA A 39 -0.410 16.018 -7.168 1.00 0.00 N ATOM 542 CA ALA A 39 -0.969 16.259 -5.844 1.00 0.00 C ATOM 543 C ALA A 39 0.132 16.366 -4.794 1.00 0.00 C ATOM 544 O ALA A 39 0.948 15.457 -4.639 1.00 0.00 O ATOM 545 CB ALA A 39 -1.946 15.153 -5.474 1.00 0.00 C ATOM 0 H ALA A 39 -0.122 15.054 -7.335 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.504 17.208 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.356 15.346 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.756 15.125 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.427 14.195 -5.472 1.00 0.00 H new ATOM 551 N LYS A 40 0.151 17.484 -4.076 1.00 0.00 N ATOM 552 CA LYS A 40 1.152 17.712 -3.040 1.00 0.00 C ATOM 553 C LYS A 40 0.515 17.691 -1.655 1.00 0.00 C ATOM 554 O LYS A 40 -0.468 18.386 -1.402 1.00 0.00 O ATOM 555 CB LYS A 40 1.858 19.050 -3.269 1.00 0.00 C ATOM 556 CG LYS A 40 0.950 20.255 -3.091 1.00 0.00 C ATOM 557 CD LYS A 40 1.404 21.427 -3.944 1.00 0.00 C ATOM 558 CE LYS A 40 2.670 22.062 -3.390 1.00 0.00 C ATOM 559 NZ LYS A 40 2.886 23.433 -3.931 1.00 0.00 N ATOM 0 H LYS A 40 -0.516 18.247 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 40 1.886 16.908 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.696 19.132 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.274 19.064 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.072 19.984 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.938 20.551 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.582 21.088 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.611 22.174 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.608 22.106 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.528 21.436 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.759 23.831 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.971 23.388 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.080 24.038 -3.675 1.00 0.00 H new ATOM 573 N GLY A 41 1.084 16.889 -0.759 1.00 0.00 N ATOM 574 CA GLY A 41 0.559 16.795 0.591 1.00 0.00 C ATOM 575 C GLY A 41 1.246 15.718 1.406 1.00 0.00 C ATOM 576 O GLY A 41 2.374 15.326 1.107 1.00 0.00 O ATOM 0 H GLY A 41 1.898 16.303 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.677 17.756 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.510 16.588 0.548 1.00 0.00 H new ATOM 580 N LYS A 42 0.566 15.237 2.442 1.00 0.00 N ATOM 581 CA LYS A 42 1.117 14.199 3.305 1.00 0.00 C ATOM 582 C LYS A 42 0.568 12.828 2.924 1.00 0.00 C ATOM 583 O LYS A 42 -0.577 12.499 3.238 1.00 0.00 O ATOM 584 CB LYS A 42 0.795 14.501 4.770 1.00 0.00 C ATOM 585 CG LYS A 42 1.630 13.699 5.754 1.00 0.00 C ATOM 586 CD LYS A 42 3.027 14.279 5.902 1.00 0.00 C ATOM 587 CE LYS A 42 3.784 13.622 7.045 1.00 0.00 C ATOM 588 NZ LYS A 42 4.961 14.431 7.468 1.00 0.00 N ATOM 0 H LYS A 42 -0.369 15.550 2.704 1.00 0.00 H new ATOM 0 HA LYS A 42 2.199 14.187 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.951 15.564 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.260 14.297 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.136 13.685 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.698 12.665 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.579 14.142 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.960 15.353 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.114 13.485 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.116 12.630 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.451 13.950 8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.613 14.541 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.642 15.369 7.785 1.00 0.00 H new ATOM 602 N ILE A 43 1.391 12.032 2.249 1.00 0.00 N ATOM 603 CA ILE A 43 0.987 10.696 1.829 1.00 0.00 C ATOM 604 C ILE A 43 1.172 9.686 2.957 1.00 0.00 C ATOM 605 O ILE A 43 2.298 9.329 3.306 1.00 0.00 O ATOM 606 CB ILE A 43 1.787 10.227 0.599 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.581 11.194 -0.569 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.374 8.817 0.206 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.619 11.054 -1.660 1.00 0.00 C ATOM 0 H ILE A 43 2.341 12.289 1.982 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.069 10.754 1.565 1.00 0.00 H new ATOM 0 HB ILE A 43 2.847 10.216 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.592 11.029 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.599 12.216 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.948 8.499 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.567 8.137 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.311 8.803 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.410 11.770 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.609 11.248 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.587 10.043 -2.065 1.00 0.00 H new ATOM 621 N ASP A 44 0.060 9.229 3.522 1.00 0.00 N ATOM 622 CA ASP A 44 0.099 8.257 4.609 1.00 0.00 C ATOM 623 C ASP A 44 -0.417 6.899 4.142 1.00 0.00 C ATOM 624 O ASP A 44 -1.355 6.820 3.350 1.00 0.00 O ATOM 625 CB ASP A 44 -0.731 8.752 5.794 1.00 0.00 C ATOM 626 CG ASP A 44 -0.560 10.239 6.039 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.557 10.752 5.819 1.00 0.00 O ATOM 628 OD2 ASP A 44 -1.544 10.889 6.451 1.00 0.00 O ATOM 0 H ASP A 44 -0.879 9.516 3.246 1.00 0.00 H new ATOM 0 HA ASP A 44 1.136 8.143 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.784 8.535 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.443 8.203 6.691 1.00 0.00 H new ATOM 633 N ALA A 45 0.203 5.834 4.639 1.00 0.00 N ATOM 634 CA ALA A 45 -0.194 4.480 4.274 1.00 0.00 C ATOM 635 C ALA A 45 -0.105 3.540 5.471 1.00 0.00 C ATOM 636 O ALA A 45 0.941 3.430 6.111 1.00 0.00 O ATOM 637 CB ALA A 45 0.670 3.966 3.132 1.00 0.00 C ATOM 0 H ALA A 45 0.982 5.883 5.295 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.233 4.509 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.362 2.954 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.553 4.617 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.715 3.959 3.441 1.00 0.00 H new ATOM 643 N LYS A 46 -1.209 2.864 5.770 1.00 0.00 N ATOM 644 CA LYS A 46 -1.257 1.932 6.891 1.00 0.00 C ATOM 645 C LYS A 46 -2.160 0.745 6.573 1.00 0.00 C ATOM 646 O LYS A 46 -3.174 0.889 5.890 1.00 0.00 O ATOM 647 CB LYS A 46 -1.755 2.643 8.151 1.00 0.00 C ATOM 648 CG LYS A 46 -0.644 3.276 8.972 1.00 0.00 C ATOM 649 CD LYS A 46 -1.150 4.463 9.774 1.00 0.00 C ATOM 650 CE LYS A 46 -1.191 5.728 8.931 1.00 0.00 C ATOM 651 NZ LYS A 46 0.161 6.328 8.763 1.00 0.00 N ATOM 0 H LYS A 46 -2.084 2.944 5.251 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.247 1.561 7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.469 3.415 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.293 1.928 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.221 2.533 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.160 3.599 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.148 4.247 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.505 4.621 10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.610 5.498 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.855 6.455 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.070 7.355 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.732 6.141 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.627 5.908 7.933 1.00 0.00 H new ATOM 665 N VAL A 47 -1.787 -0.428 7.076 1.00 0.00 N ATOM 666 CA VAL A 47 -2.565 -1.639 6.848 1.00 0.00 C ATOM 667 C VAL A 47 -3.539 -1.891 7.994 1.00 0.00 C ATOM 668 O VAL A 47 -3.176 -1.783 9.166 1.00 0.00 O ATOM 669 CB VAL A 47 -1.653 -2.870 6.684 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.844 -3.107 7.950 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.476 -4.099 6.329 1.00 0.00 C ATOM 0 H VAL A 47 -0.951 -0.565 7.644 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.125 -1.486 5.926 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.957 -2.679 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.206 -3.980 7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.225 -2.233 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.520 -3.277 8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.816 -4.959 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.197 -4.296 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.006 -3.924 5.393 1.00 0.00 H new ATOM 681 N HIS A 48 -4.777 -2.227 7.648 1.00 0.00 N ATOM 682 CA HIS A 48 -5.804 -2.496 8.648 1.00 0.00 C ATOM 683 C HIS A 48 -6.076 -3.993 8.760 1.00 0.00 C ATOM 684 O HIS A 48 -5.889 -4.741 7.801 1.00 0.00 O ATOM 685 CB HIS A 48 -7.095 -1.757 8.296 1.00 0.00 C ATOM 686 CG HIS A 48 -7.055 -0.294 8.617 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.507 0.227 9.811 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.611 0.759 7.892 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.344 1.538 9.805 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.802 1.886 8.652 1.00 0.00 N ATOM 0 H HIS A 48 -5.094 -2.320 6.683 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.440 -2.138 9.611 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.297 -1.882 7.232 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.925 -2.216 8.834 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.905 -0.315 10.578 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.186 0.720 6.900 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.609 2.211 10.607 1.00 0.00 H new ATOM 698 N SER A 49 -6.516 -4.424 9.938 1.00 0.00 N ATOM 699 CA SER A 49 -6.809 -5.832 10.177 1.00 0.00 C ATOM 700 C SER A 49 -8.192 -6.002 10.798 1.00 0.00 C ATOM 701 O SER A 49 -8.686 -5.136 11.521 1.00 0.00 O ATOM 702 CB SER A 49 -5.747 -6.448 11.090 1.00 0.00 C ATOM 703 OG SER A 49 -4.455 -6.330 10.521 1.00 0.00 O ATOM 0 H SER A 49 -6.677 -3.818 10.742 1.00 0.00 H new ATOM 0 HA SER A 49 -6.796 -6.348 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.767 -5.953 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.977 -7.499 11.263 1.00 0.00 H new ATOM 0 HG SER A 49 -4.258 -7.129 9.989 1.00 0.00 H new ATOM 709 N PRO A 50 -8.832 -7.145 10.512 1.00 0.00 N ATOM 710 CA PRO A 50 -10.166 -7.457 11.033 1.00 0.00 C ATOM 711 C PRO A 50 -10.154 -7.725 12.534 1.00 0.00 C ATOM 712 O PRO A 50 -11.186 -8.044 13.125 1.00 0.00 O ATOM 713 CB PRO A 50 -10.559 -8.723 10.267 1.00 0.00 C ATOM 714 CG PRO A 50 -9.264 -9.355 9.889 1.00 0.00 C ATOM 715 CD PRO A 50 -8.302 -8.222 9.658 1.00 0.00 C ATOM 0 HA PRO A 50 -10.860 -6.628 10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.159 -9.390 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.155 -8.484 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.907 -10.015 10.679 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.374 -9.963 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.285 -8.495 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.274 -7.926 8.609 1.00 0.00 H new ATOM 723 N SER A 51 -8.981 -7.594 13.145 1.00 0.00 N ATOM 724 CA SER A 51 -8.835 -7.825 14.577 1.00 0.00 C ATOM 725 C SER A 51 -9.010 -6.526 15.358 1.00 0.00 C ATOM 726 O SER A 51 -9.418 -6.536 16.518 1.00 0.00 O ATOM 727 CB SER A 51 -7.465 -8.435 14.879 1.00 0.00 C ATOM 728 OG SER A 51 -7.450 -9.049 16.157 1.00 0.00 O ATOM 0 H SER A 51 -8.118 -7.329 12.670 1.00 0.00 H new ATOM 0 HA SER A 51 -9.612 -8.523 14.889 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.215 -9.172 14.115 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.701 -7.659 14.836 1.00 0.00 H new ATOM 0 HG SER A 51 -6.564 -9.432 16.325 1.00 0.00 H new ATOM 734 N GLY A 52 -8.697 -5.407 14.711 1.00 0.00 N ATOM 735 CA GLY A 52 -8.825 -4.115 15.359 1.00 0.00 C ATOM 736 C GLY A 52 -7.481 -3.481 15.658 1.00 0.00 C ATOM 737 O GLY A 52 -7.339 -2.742 16.632 1.00 0.00 O ATOM 0 H GLY A 52 -8.357 -5.373 13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.404 -3.448 14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.383 -4.232 16.288 1.00 0.00 H new ATOM 741 N ALA A 53 -6.492 -3.770 14.819 1.00 0.00 N ATOM 742 CA ALA A 53 -5.153 -3.222 14.998 1.00 0.00 C ATOM 743 C ALA A 53 -4.713 -2.434 13.769 1.00 0.00 C ATOM 744 O ALA A 53 -5.131 -2.728 12.648 1.00 0.00 O ATOM 745 CB ALA A 53 -4.162 -4.338 15.295 1.00 0.00 C ATOM 0 H ALA A 53 -6.593 -4.381 14.008 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.178 -2.537 15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.166 -3.915 15.426 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.460 -4.856 16.207 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.150 -5.044 14.465 1.00 0.00 H new ATOM 751 N VAL A 54 -3.868 -1.432 13.985 1.00 0.00 N ATOM 752 CA VAL A 54 -3.371 -0.601 12.895 1.00 0.00 C ATOM 753 C VAL A 54 -1.851 -0.673 12.798 1.00 0.00 C ATOM 754 O VAL A 54 -1.142 -0.291 13.729 1.00 0.00 O ATOM 755 CB VAL A 54 -3.795 0.869 13.071 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.221 1.728 11.954 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.311 0.984 13.118 1.00 0.00 C ATOM 0 H VAL A 54 -3.513 -1.175 14.906 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.809 -0.989 11.976 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.396 1.233 14.018 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.531 2.763 12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.133 1.670 11.973 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.587 1.367 10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.593 2.030 13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.734 0.603 12.189 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.694 0.402 13.956 1.00 0.00 H new ATOM 767 N GLU A 55 -1.358 -1.163 11.665 1.00 0.00 N ATOM 768 CA GLU A 55 0.079 -1.285 11.448 1.00 0.00 C ATOM 769 C GLU A 55 0.564 -0.256 10.430 1.00 0.00 C ATOM 770 O GLU A 55 -0.155 0.091 9.494 1.00 0.00 O ATOM 771 CB GLU A 55 0.427 -2.696 10.969 1.00 0.00 C ATOM 772 CG GLU A 55 0.715 -3.669 12.100 1.00 0.00 C ATOM 773 CD GLU A 55 1.322 -4.969 11.611 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.547 -4.997 11.369 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.573 -5.958 11.471 1.00 0.00 O ATOM 0 H GLU A 55 -1.932 -1.482 10.884 1.00 0.00 H new ATOM 0 HA GLU A 55 0.582 -1.097 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.399 -3.081 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.297 -2.644 10.315 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.394 -3.201 12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.210 -3.883 12.635 1.00 0.00 H new ATOM 782 N GLU A 56 1.787 0.227 10.623 1.00 0.00 N ATOM 783 CA GLU A 56 2.368 1.217 9.722 1.00 0.00 C ATOM 784 C GLU A 56 3.216 0.543 8.648 1.00 0.00 C ATOM 785 O GLU A 56 4.124 -0.231 8.953 1.00 0.00 O ATOM 786 CB GLU A 56 3.219 2.216 10.508 1.00 0.00 C ATOM 787 CG GLU A 56 3.278 3.596 9.875 1.00 0.00 C ATOM 788 CD GLU A 56 4.079 4.583 10.700 1.00 0.00 C ATOM 789 OE1 GLU A 56 3.500 5.197 11.620 1.00 0.00 O ATOM 790 OE2 GLU A 56 5.287 4.742 10.426 1.00 0.00 O ATOM 0 H GLU A 56 2.395 -0.050 11.394 1.00 0.00 H new ATOM 0 HA GLU A 56 1.552 1.751 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.819 2.306 11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.232 1.824 10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.719 3.517 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.264 3.975 9.745 1.00 0.00 H new ATOM 797 N CYS A 57 2.913 0.843 7.390 1.00 0.00 N ATOM 798 CA CYS A 57 3.647 0.266 6.268 1.00 0.00 C ATOM 799 C CYS A 57 4.789 1.181 5.838 1.00 0.00 C ATOM 800 O CYS A 57 4.628 2.399 5.763 1.00 0.00 O ATOM 801 CB CYS A 57 2.705 0.017 5.090 1.00 0.00 C ATOM 802 SG CYS A 57 1.344 -1.115 5.460 1.00 0.00 S ATOM 0 H CYS A 57 2.165 1.482 7.121 1.00 0.00 H new ATOM 0 HA CYS A 57 4.070 -0.685 6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.291 0.970 4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.281 -0.385 4.256 1.00 0.00 H new ATOM 0 HG CYS A 57 0.601 -1.261 4.403 1.00 0.00 H new ATOM 808 N HIS A 58 5.943 0.585 5.556 1.00 0.00 N ATOM 809 CA HIS A 58 7.113 1.346 5.133 1.00 0.00 C ATOM 810 C HIS A 58 6.814 2.144 3.868 1.00 0.00 C ATOM 811 O HIS A 58 6.336 1.596 2.875 1.00 0.00 O ATOM 812 CB HIS A 58 8.298 0.409 4.892 1.00 0.00 C ATOM 813 CG HIS A 58 9.561 1.124 4.522 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.459 0.635 3.597 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.073 2.299 4.957 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.470 1.477 3.481 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.260 2.496 4.295 1.00 0.00 N ATOM 0 H HIS A 58 6.093 -0.422 5.613 1.00 0.00 H new ATOM 0 HA HIS A 58 7.369 2.045 5.930 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.474 -0.180 5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.041 -0.292 4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.630 2.959 5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.324 1.353 2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.879 3.298 4.413 1.00 0.00 H new ATOM 825 N VAL A 59 7.099 3.442 3.911 1.00 0.00 N ATOM 826 CA VAL A 59 6.861 4.315 2.768 1.00 0.00 C ATOM 827 C VAL A 59 8.153 4.977 2.304 1.00 0.00 C ATOM 828 O VAL A 59 8.784 5.725 3.051 1.00 0.00 O ATOM 829 CB VAL A 59 5.829 5.409 3.103 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.621 6.330 1.911 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.513 4.783 3.539 1.00 0.00 C ATOM 0 H VAL A 59 7.495 3.912 4.725 1.00 0.00 H new ATOM 0 HA VAL A 59 6.469 3.688 1.967 1.00 0.00 H new ATOM 0 HB VAL A 59 6.213 6.006 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.889 7.096 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.566 6.805 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.258 5.750 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.795 5.570 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.121 4.161 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.678 4.169 4.424 1.00 0.00 H new ATOM 841 N SER A 60 8.542 4.697 1.064 1.00 0.00 N ATOM 842 CA SER A 60 9.762 5.262 0.499 1.00 0.00 C ATOM 843 C SER A 60 9.437 6.361 -0.508 1.00 0.00 C ATOM 844 O SER A 60 8.284 6.532 -0.903 1.00 0.00 O ATOM 845 CB SER A 60 10.593 4.168 -0.173 1.00 0.00 C ATOM 846 OG SER A 60 11.824 4.683 -0.652 1.00 0.00 O ATOM 0 H SER A 60 8.030 4.082 0.431 1.00 0.00 H new ATOM 0 HA SER A 60 10.341 5.699 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.784 3.364 0.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.030 3.736 -1.000 1.00 0.00 H new ATOM 0 HG SER A 60 12.337 3.963 -1.076 1.00 0.00 H new ATOM 852 N GLU A 61 10.461 7.102 -0.918 1.00 0.00 N ATOM 853 CA GLU A 61 10.284 8.185 -1.878 1.00 0.00 C ATOM 854 C GLU A 61 11.357 8.131 -2.962 1.00 0.00 C ATOM 855 O GLU A 61 12.457 8.657 -2.789 1.00 0.00 O ATOM 856 CB GLU A 61 10.329 9.539 -1.167 1.00 0.00 C ATOM 857 CG GLU A 61 10.014 10.714 -2.077 1.00 0.00 C ATOM 858 CD GLU A 61 9.964 12.033 -1.330 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.882 12.296 -0.527 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.005 12.803 -1.550 1.00 0.00 O ATOM 0 H GLU A 61 11.422 6.972 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 61 9.309 8.063 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.619 9.530 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.320 9.680 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.768 10.773 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.056 10.542 -2.568 1.00 0.00 H new ATOM 867 N LEU A 62 11.028 7.492 -4.080 1.00 0.00 N ATOM 868 CA LEU A 62 11.963 7.369 -5.193 1.00 0.00 C ATOM 869 C LEU A 62 11.988 8.646 -6.027 1.00 0.00 C ATOM 870 O LEU A 62 13.055 9.169 -6.345 1.00 0.00 O ATOM 871 CB LEU A 62 11.582 6.178 -6.075 1.00 0.00 C ATOM 872 CG LEU A 62 11.104 4.925 -5.340 1.00 0.00 C ATOM 873 CD1 LEU A 62 10.361 3.999 -6.291 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.280 4.202 -4.699 1.00 0.00 C ATOM 0 H LEU A 62 10.122 7.052 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 62 12.959 7.206 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.796 6.495 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.446 5.911 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 62 10.416 5.230 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.028 3.113 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.496 4.519 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.026 3.701 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.922 3.313 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.992 3.910 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.770 4.865 -3.986 1.00 0.00 H new ATOM 886 N GLU A 63 10.805 9.142 -6.376 1.00 0.00 N ATOM 887 CA GLU A 63 10.693 10.359 -7.172 1.00 0.00 C ATOM 888 C GLU A 63 9.530 11.220 -6.687 1.00 0.00 C ATOM 889 O GLU A 63 8.574 10.734 -6.082 1.00 0.00 O ATOM 890 CB GLU A 63 10.504 10.012 -8.650 1.00 0.00 C ATOM 891 CG GLU A 63 9.459 8.937 -8.894 1.00 0.00 C ATOM 892 CD GLU A 63 8.940 8.941 -10.319 1.00 0.00 C ATOM 893 OE1 GLU A 63 9.554 9.616 -11.172 1.00 0.00 O ATOM 894 OE2 GLU A 63 7.920 8.270 -10.582 1.00 0.00 O ATOM 0 H GLU A 63 9.912 8.721 -6.121 1.00 0.00 H new ATOM 0 HA GLU A 63 11.616 10.926 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.219 10.913 -9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.457 9.680 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.889 7.960 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.625 9.083 -8.207 1.00 0.00 H new ATOM 901 N PRO A 64 9.611 12.531 -6.959 1.00 0.00 N ATOM 902 CA PRO A 64 8.575 13.488 -6.560 1.00 0.00 C ATOM 903 C PRO A 64 7.283 13.306 -7.349 1.00 0.00 C ATOM 904 O PRO A 64 6.325 14.058 -7.172 1.00 0.00 O ATOM 905 CB PRO A 64 9.207 14.846 -6.876 1.00 0.00 C ATOM 906 CG PRO A 64 10.199 14.563 -7.950 1.00 0.00 C ATOM 907 CD PRO A 64 10.722 13.180 -7.676 1.00 0.00 C ATOM 0 HA PRO A 64 8.289 13.368 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.457 15.563 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.688 15.273 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.734 14.617 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.006 15.295 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.967 12.653 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.629 13.206 -7.072 1.00 0.00 H new ATOM 915 N ASP A 65 7.264 12.303 -8.220 1.00 0.00 N ATOM 916 CA ASP A 65 6.088 12.020 -9.035 1.00 0.00 C ATOM 917 C ASP A 65 5.550 10.622 -8.747 1.00 0.00 C ATOM 918 O ASP A 65 4.556 10.195 -9.334 1.00 0.00 O ATOM 919 CB ASP A 65 6.427 12.154 -10.521 1.00 0.00 C ATOM 920 CG ASP A 65 6.513 13.600 -10.967 1.00 0.00 C ATOM 921 OD1 ASP A 65 7.320 14.354 -10.384 1.00 0.00 O ATOM 922 OD2 ASP A 65 5.773 13.979 -11.900 1.00 0.00 O ATOM 0 H ASP A 65 8.050 11.672 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 65 5.316 12.746 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.377 11.658 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.669 11.639 -11.111 1.00 0.00 H new ATOM 927 N LYS A 66 6.214 9.914 -7.840 1.00 0.00 N ATOM 928 CA LYS A 66 5.804 8.564 -7.473 1.00 0.00 C ATOM 929 C LYS A 66 6.327 8.193 -6.089 1.00 0.00 C ATOM 930 O LYS A 66 7.322 8.748 -5.622 1.00 0.00 O ATOM 931 CB LYS A 66 6.309 7.556 -8.508 1.00 0.00 C ATOM 932 CG LYS A 66 5.837 6.134 -8.253 1.00 0.00 C ATOM 933 CD LYS A 66 6.180 5.217 -9.415 1.00 0.00 C ATOM 934 CE LYS A 66 5.063 5.183 -10.447 1.00 0.00 C ATOM 935 NZ LYS A 66 5.230 6.243 -11.479 1.00 0.00 N ATOM 0 H LYS A 66 7.039 10.253 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 66 4.715 8.536 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.977 7.868 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.399 7.572 -8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.297 5.755 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.759 6.131 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.102 5.555 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.364 4.209 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.044 4.206 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.103 5.310 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.045 5.843 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.560 7.016 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.202 6.611 -11.444 1.00 0.00 H new ATOM 949 N TYR A 67 5.653 7.251 -5.439 1.00 0.00 N ATOM 950 CA TYR A 67 6.050 6.808 -4.108 1.00 0.00 C ATOM 951 C TYR A 67 5.844 5.304 -3.951 1.00 0.00 C ATOM 952 O TYR A 67 4.962 4.719 -4.579 1.00 0.00 O ATOM 953 CB TYR A 67 5.254 7.557 -3.039 1.00 0.00 C ATOM 954 CG TYR A 67 5.597 9.027 -2.948 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.263 9.903 -3.974 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.255 9.540 -1.837 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.575 11.247 -3.895 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.570 10.882 -1.750 1.00 0.00 C ATOM 959 CZ TYR A 67 6.228 11.731 -2.781 1.00 0.00 C ATOM 960 OH TYR A 67 6.541 13.069 -2.699 1.00 0.00 O ATOM 0 H TYR A 67 4.829 6.779 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 67 7.110 7.027 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.190 7.453 -3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.433 7.090 -2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.751 9.527 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.525 8.878 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.309 11.915 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.081 11.264 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 67 7.413 13.175 -2.265 1.00 0.00 H new ATOM 970 N ALA A 68 6.664 4.686 -3.108 1.00 0.00 N ATOM 971 CA ALA A 68 6.571 3.252 -2.865 1.00 0.00 C ATOM 972 C ALA A 68 6.097 2.965 -1.444 1.00 0.00 C ATOM 973 O ALA A 68 6.364 3.736 -0.522 1.00 0.00 O ATOM 974 CB ALA A 68 7.915 2.585 -3.119 1.00 0.00 C ATOM 0 H ALA A 68 7.400 5.156 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 68 5.836 2.839 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.831 1.514 -2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.214 2.752 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.664 3.011 -2.452 1.00 0.00 H new ATOM 980 N VAL A 69 5.391 1.852 -1.274 1.00 0.00 N ATOM 981 CA VAL A 69 4.880 1.463 0.035 1.00 0.00 C ATOM 982 C VAL A 69 5.009 -0.041 0.251 1.00 0.00 C ATOM 983 O VAL A 69 4.308 -0.831 -0.380 1.00 0.00 O ATOM 984 CB VAL A 69 3.404 1.870 0.205 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.884 1.437 1.567 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.241 3.371 0.014 1.00 0.00 C ATOM 0 H VAL A 69 5.160 1.204 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 69 5.482 1.987 0.778 1.00 0.00 H new ATOM 0 HB VAL A 69 2.814 1.363 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.840 1.733 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.965 0.354 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.474 1.913 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.192 3.642 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.842 3.899 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.572 3.648 -0.987 1.00 0.00 H new ATOM 996 N ARG A 70 5.909 -0.428 1.149 1.00 0.00 N ATOM 997 CA ARG A 70 6.131 -1.838 1.448 1.00 0.00 C ATOM 998 C ARG A 70 5.317 -2.270 2.664 1.00 0.00 C ATOM 999 O ARG A 70 5.167 -1.514 3.625 1.00 0.00 O ATOM 1000 CB ARG A 70 7.618 -2.101 1.697 1.00 0.00 C ATOM 1001 CG ARG A 70 7.980 -3.577 1.719 1.00 0.00 C ATOM 1002 CD ARG A 70 7.846 -4.162 3.116 1.00 0.00 C ATOM 1003 NE ARG A 70 8.801 -5.241 3.352 1.00 0.00 N ATOM 1004 CZ ARG A 70 10.113 -5.054 3.446 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.622 -3.835 3.327 1.00 0.00 N ATOM 1006 NH2 ARG A 70 10.918 -6.086 3.662 1.00 0.00 N ATOM 0 H ARG A 70 6.496 0.214 1.682 1.00 0.00 H new ATOM 0 HA ARG A 70 5.805 -2.422 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.201 -1.604 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.904 -1.651 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.333 -4.122 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.003 -3.707 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.999 -3.375 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.833 -4.538 3.256 1.00 0.00 H new ATOM 0 HE ARG A 70 8.441 -6.190 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.006 -3.039 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.630 -3.694 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.530 -7.025 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.925 -5.941 3.734 1.00 0.00 H new ATOM 1020 N PHE A 71 4.793 -3.490 2.616 1.00 0.00 N ATOM 1021 CA PHE A 71 3.993 -4.023 3.713 1.00 0.00 C ATOM 1022 C PHE A 71 3.927 -5.546 3.648 1.00 0.00 C ATOM 1023 O PHE A 71 4.317 -6.153 2.651 1.00 0.00 O ATOM 1024 CB PHE A 71 2.580 -3.437 3.673 1.00 0.00 C ATOM 1025 CG PHE A 71 1.700 -4.067 2.632 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.835 -3.730 1.295 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.736 -4.996 2.990 1.00 0.00 C ATOM 1028 CE1 PHE A 71 1.027 -4.309 0.334 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.075 -5.577 2.034 1.00 0.00 C ATOM 1030 CZ PHE A 71 0.070 -5.233 0.705 1.00 0.00 C ATOM 0 H PHE A 71 4.908 -4.129 1.829 1.00 0.00 H new ATOM 0 HA PHE A 71 4.471 -3.738 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.116 -3.560 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.645 -2.366 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.580 -3.006 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.617 -5.269 4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.144 -4.039 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.822 -6.300 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.564 -5.686 -0.043 1.00 0.00 H new ATOM 1040 N ILE A 72 3.430 -6.156 4.719 1.00 0.00 N ATOM 1041 CA ILE A 72 3.312 -7.607 4.784 1.00 0.00 C ATOM 1042 C ILE A 72 1.849 -8.040 4.797 1.00 0.00 C ATOM 1043 O ILE A 72 1.171 -7.993 5.823 1.00 0.00 O ATOM 1044 CB ILE A 72 4.014 -8.174 6.032 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.489 -7.768 6.043 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.876 -9.689 6.076 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.150 -7.928 7.394 1.00 0.00 C ATOM 0 H ILE A 72 3.103 -5.668 5.553 1.00 0.00 H new ATOM 0 HA ILE A 72 3.798 -8.003 3.892 1.00 0.00 H new ATOM 0 HB ILE A 72 3.535 -7.759 6.919 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.028 -8.369 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.574 -6.728 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.377 -10.074 6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.820 -9.957 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.332 -10.122 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.194 -7.622 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.636 -7.306 8.127 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.097 -8.972 7.703 1.00 0.00 H new ATOM 1059 N PRO A 73 1.350 -8.474 3.630 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.036 -8.926 3.481 1.00 0.00 C ATOM 1061 C PRO A 73 -0.295 -10.248 4.195 1.00 0.00 C ATOM 1062 O PRO A 73 -0.302 -11.310 3.573 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.193 -9.096 1.968 1.00 0.00 C ATOM 1064 CG PRO A 73 1.188 -9.346 1.469 1.00 0.00 C ATOM 1065 CD PRO A 73 2.101 -8.557 2.366 1.00 0.00 C ATOM 0 HA PRO A 73 -0.743 -8.223 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.856 -9.927 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.623 -8.204 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.429 -10.408 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.291 -9.029 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.061 -9.056 2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.310 -7.568 1.957 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.508 -10.175 5.505 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.768 -11.368 6.304 1.00 0.00 C ATOM 1075 C HIS A 74 -2.089 -11.239 7.057 1.00 0.00 C ATOM 1076 O HIS A 74 -2.180 -10.519 8.051 1.00 0.00 O ATOM 1077 CB HIS A 74 0.374 -11.605 7.292 1.00 0.00 C ATOM 1078 CG HIS A 74 0.414 -10.610 8.412 1.00 0.00 C ATOM 1079 ND1 HIS A 74 0.914 -9.333 8.266 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.011 -10.710 9.700 1.00 0.00 C ATOM 1081 CE1 HIS A 74 0.818 -8.692 9.417 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.273 -9.505 10.303 1.00 0.00 N ATOM 0 H HIS A 74 -0.506 -9.304 6.035 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.836 -12.220 5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.279 -12.607 7.710 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.321 -11.572 6.754 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.298 -8.944 7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.434 -11.576 10.167 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.132 -7.675 9.602 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.110 -11.942 6.575 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.426 -11.904 7.202 1.00 0.00 C ATOM 1092 C GLU A 75 -5.122 -13.258 7.089 1.00 0.00 C ATOM 1093 O GLU A 75 -4.590 -14.192 6.491 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.291 -10.818 6.559 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.995 -9.420 7.074 1.00 0.00 C ATOM 1096 CD GLU A 75 -4.812 -9.379 8.579 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -5.565 -10.080 9.287 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -3.916 -8.646 9.048 1.00 0.00 O ATOM 0 H GLU A 75 -3.051 -12.544 5.754 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.290 -11.672 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.141 -10.838 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.341 -11.048 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.093 -9.043 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.810 -8.753 6.793 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.313 -13.354 7.670 1.00 0.00 N ATOM 1106 CA ASN A 76 -7.082 -14.593 7.636 1.00 0.00 C ATOM 1107 C ASN A 76 -8.241 -14.487 6.649 1.00 0.00 C ATOM 1108 O ASN A 76 -9.299 -15.081 6.852 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.614 -14.926 9.031 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.960 -13.684 9.829 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -7.173 -13.227 10.659 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -9.142 -13.131 9.582 1.00 0.00 N ATOM 0 H ASN A 76 -6.767 -12.589 8.170 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.420 -15.394 7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.500 -15.554 8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.867 -15.506 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.429 -12.294 10.089 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.762 -13.544 8.885 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.032 -13.727 5.578 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.067 -13.557 4.575 1.00 0.00 C ATOM 1121 C GLY A 77 -8.793 -12.388 3.651 1.00 0.00 C ATOM 1122 O GLY A 77 -7.973 -12.487 2.738 1.00 0.00 O ATOM 0 H GLY A 77 -7.164 -13.226 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.151 -14.470 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.027 -13.408 5.070 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.481 -11.275 3.886 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.308 -10.081 3.067 1.00 0.00 C ATOM 1128 C VAL A 78 -8.633 -8.966 3.857 1.00 0.00 C ATOM 1129 O VAL A 78 -8.915 -8.770 5.040 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.657 -9.570 2.529 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.458 -8.313 1.695 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.352 -10.653 1.717 1.00 0.00 C ATOM 0 H VAL A 78 -10.164 -11.175 4.637 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.673 -10.362 2.227 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.294 -9.318 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.422 -7.967 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.006 -7.536 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.803 -8.535 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.304 -10.274 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.721 -10.938 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.530 -11.523 2.348 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.740 -8.236 3.196 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.025 -7.139 3.837 1.00 0.00 C ATOM 1144 C HIS A 79 -7.652 -5.796 3.473 1.00 0.00 C ATOM 1145 O HIS A 79 -8.387 -5.687 2.491 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.552 -7.154 3.427 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.936 -8.519 3.456 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.767 -8.804 4.130 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.336 -9.683 2.891 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.473 -10.083 3.976 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.409 -10.638 3.228 1.00 0.00 N ATOM 0 H HIS A 79 -7.495 -8.385 2.217 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.096 -7.273 4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.459 -6.744 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.991 -6.497 4.092 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.215 -8.132 4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.219 -9.832 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.614 -10.588 4.391 1.00 0.00 H new ATOM 1159 N THR A 80 -7.357 -4.775 4.272 1.00 0.00 N ATOM 1160 CA THR A 80 -7.893 -3.440 4.036 1.00 0.00 C ATOM 1161 C THR A 80 -6.814 -2.377 4.202 1.00 0.00 C ATOM 1162 O THR A 80 -6.230 -2.235 5.277 1.00 0.00 O ATOM 1163 CB THR A 80 -9.060 -3.126 4.991 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.015 -4.192 4.965 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.738 -1.820 4.606 1.00 0.00 C ATOM 0 H THR A 80 -6.750 -4.847 5.088 1.00 0.00 H new ATOM 0 HA THR A 80 -8.260 -3.424 3.010 1.00 0.00 H new ATOM 0 HB THR A 80 -8.658 -3.024 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.753 -3.985 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.559 -1.619 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.015 -1.006 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.127 -1.897 3.591 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.554 -1.632 3.133 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.545 -0.580 3.163 1.00 0.00 C ATOM 1175 C ILE A 81 -6.185 0.789 3.366 1.00 0.00 C ATOM 1176 O ILE A 81 -7.282 1.053 2.873 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.716 -0.559 1.866 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.038 -1.913 1.645 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.681 0.555 1.917 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.694 -2.188 0.198 1.00 0.00 C ATOM 0 H ILE A 81 -7.028 -1.737 2.236 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.885 -0.799 4.003 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.386 -0.369 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.126 -1.955 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.694 -2.703 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.103 0.557 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.185 1.515 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.013 0.392 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.217 -3.164 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.605 -2.179 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.012 -1.419 -0.166 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.492 1.658 4.094 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.991 3.002 4.361 1.00 0.00 C ATOM 1194 C ASP A 82 -5.000 4.055 3.876 1.00 0.00 C ATOM 1195 O ASP A 82 -3.905 4.191 4.422 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.256 3.183 5.856 1.00 0.00 C ATOM 1197 CG ASP A 82 -7.657 2.758 6.252 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -8.136 1.733 5.724 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -8.273 3.451 7.089 1.00 0.00 O ATOM 0 H ASP A 82 -4.583 1.456 4.510 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.926 3.131 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.529 2.602 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.107 4.229 6.124 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.391 4.799 2.846 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.538 5.840 2.287 1.00 0.00 C ATOM 1206 C VAL A 83 -5.139 7.223 2.511 1.00 0.00 C ATOM 1207 O VAL A 83 -6.191 7.552 1.961 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.310 5.630 0.778 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.496 6.775 0.196 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.625 4.295 0.524 1.00 0.00 C ATOM 0 H VAL A 83 -6.294 4.700 2.382 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.581 5.775 2.804 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.280 5.616 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.345 6.609 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.030 7.714 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.529 6.824 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.472 4.163 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.662 4.278 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.251 3.487 0.903 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.465 8.031 3.322 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.931 9.381 3.619 1.00 0.00 C ATOM 1222 C LYS A 84 -4.044 10.423 2.946 1.00 0.00 C ATOM 1223 O LYS A 84 -2.817 10.329 2.988 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.952 9.614 5.131 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.261 9.214 5.790 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.212 9.414 7.295 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.602 9.628 7.875 1.00 0.00 C ATOM 1228 NZ LYS A 84 -8.013 11.058 7.817 1.00 0.00 N ATOM 0 H LYS A 84 -3.594 7.775 3.786 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.943 9.484 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.138 9.051 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.762 10.669 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.076 9.804 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.477 8.169 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.751 8.545 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.583 10.273 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.322 9.021 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.620 9.287 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.965 11.162 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.341 11.635 8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.021 11.377 6.827 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.672 11.417 2.326 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.939 12.477 1.644 1.00 0.00 C ATOM 1244 C PHE A 85 -4.351 13.849 2.171 1.00 0.00 C ATOM 1245 O PHE A 85 -5.368 14.404 1.758 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.181 12.404 0.135 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.259 13.281 -0.663 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -3.501 14.641 -0.778 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -2.150 12.747 -1.298 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -2.655 15.451 -1.511 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -1.299 13.552 -2.032 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.553 14.905 -2.140 1.00 0.00 C ATOM 0 H PHE A 85 -5.687 11.510 2.282 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.877 12.335 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.063 11.372 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.212 12.689 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.361 15.073 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.948 11.689 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.855 16.509 -1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.436 13.123 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.891 15.535 -2.715 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.553 14.388 3.087 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.835 15.694 3.672 1.00 0.00 C ATOM 1264 C ASN A 86 -5.193 15.698 4.366 1.00 0.00 C ATOM 1265 O ASN A 86 -5.901 16.704 4.364 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.798 16.778 2.593 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.467 18.146 3.158 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -2.402 18.754 2.648 1.00 0.00 O flip ATOM 1269 ND2 ASN A 86 -4.160 18.649 4.042 1.00 0.00 N flip ATOM 0 H ASN A 86 -2.707 13.941 3.440 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.066 15.904 4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.058 16.511 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.764 16.820 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.970 18.145 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.925 19.570 4.413 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.551 14.564 4.961 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.822 14.457 5.652 1.00 0.00 C ATOM 1278 C GLY A 87 -7.971 14.158 4.709 1.00 0.00 C ATOM 1279 O GLY A 87 -9.003 14.828 4.744 1.00 0.00 O ATOM 0 H GLY A 87 -4.983 13.717 4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.758 13.670 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.024 15.388 6.182 1.00 0.00 H new ATOM 1283 N SER A 88 -7.792 13.149 3.862 1.00 0.00 N ATOM 1284 CA SER A 88 -8.820 12.766 2.901 1.00 0.00 C ATOM 1285 C SER A 88 -8.450 11.462 2.201 1.00 0.00 C ATOM 1286 O SER A 88 -7.422 11.376 1.527 1.00 0.00 O ATOM 1287 CB SER A 88 -9.019 13.875 1.867 1.00 0.00 C ATOM 1288 OG SER A 88 -10.149 13.615 1.052 1.00 0.00 O ATOM 0 H SER A 88 -6.945 12.582 3.822 1.00 0.00 H new ATOM 0 HA SER A 88 -9.753 12.614 3.444 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.145 14.831 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.129 13.960 1.244 1.00 0.00 H new ATOM 0 HG SER A 88 -10.256 14.339 0.400 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.294 10.449 2.365 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.058 9.149 1.748 1.00 0.00 C ATOM 1296 C HIS A 89 -9.126 9.248 0.227 1.00 0.00 C ATOM 1297 O HIS A 89 -10.172 9.565 -0.338 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.080 8.129 2.251 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.912 7.774 3.696 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.623 6.497 4.129 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.992 8.538 4.810 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.534 6.491 5.447 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.754 7.718 5.885 1.00 0.00 N ATOM 0 H HIS A 89 -10.148 10.503 2.920 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.058 8.818 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.083 8.527 2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.001 7.222 1.651 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.498 5.684 3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.204 9.596 4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.318 5.630 6.062 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.002 8.975 -0.429 1.00 0.00 N ATOM 1312 CA VAL A 90 -7.935 9.034 -1.885 1.00 0.00 C ATOM 1313 C VAL A 90 -9.063 8.229 -2.520 1.00 0.00 C ATOM 1314 O VAL A 90 -9.907 7.666 -1.824 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.585 8.505 -2.405 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.438 9.347 -1.867 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.406 7.042 -2.029 1.00 0.00 C ATOM 0 H VAL A 90 -7.127 8.711 0.024 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.039 10.082 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.580 8.580 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.493 8.958 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.561 10.380 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.437 9.307 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.447 6.685 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.432 6.939 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.210 6.452 -2.469 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.071 8.178 -3.848 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.094 7.441 -4.579 1.00 0.00 C ATOM 1329 C VAL A 91 -9.956 5.939 -4.354 1.00 0.00 C ATOM 1330 O VAL A 91 -8.859 5.435 -4.118 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.024 7.731 -6.090 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.943 9.228 -6.343 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -8.838 7.011 -6.716 1.00 0.00 C ATOM 0 H VAL A 91 -8.380 8.639 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.058 7.776 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.935 7.357 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.894 9.414 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.826 9.715 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.050 9.630 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.804 7.227 -7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.916 7.353 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.944 5.937 -6.566 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.077 5.229 -4.430 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.059 3.791 -4.232 1.00 0.00 C ATOM 1345 C GLY A 92 -10.431 3.395 -2.911 1.00 0.00 C ATOM 1346 O GLY A 92 -9.766 2.363 -2.816 1.00 0.00 O ATOM 0 H GLY A 92 -11.997 5.623 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.079 3.409 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.508 3.322 -5.047 1.00 0.00 H new ATOM 1350 N SER A 93 -10.640 4.218 -1.888 1.00 0.00 N ATOM 1351 CA SER A 93 -10.084 3.951 -0.566 1.00 0.00 C ATOM 1352 C SER A 93 -11.186 3.914 0.489 1.00 0.00 C ATOM 1353 O SER A 93 -12.160 4.664 0.433 1.00 0.00 O ATOM 1354 CB SER A 93 -9.048 5.015 -0.201 1.00 0.00 C ATOM 1355 OG SER A 93 -8.586 4.842 1.127 1.00 0.00 O ATOM 0 H SER A 93 -11.190 5.075 -1.949 1.00 0.00 H new ATOM 0 HA SER A 93 -9.598 2.976 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.207 4.960 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.487 6.007 -0.311 1.00 0.00 H new ATOM 0 HG SER A 93 -7.923 5.533 1.336 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.029 3.018 1.475 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.874 2.119 1.552 1.00 0.00 C ATOM 1363 C PRO A 94 -9.893 1.057 0.458 1.00 0.00 C ATOM 1364 O PRO A 94 -10.909 0.853 -0.206 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.020 1.470 2.930 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.478 1.546 3.231 1.00 0.00 C ATOM 1367 CD PRO A 94 -11.967 2.815 2.591 1.00 0.00 C ATOM 0 HA PRO A 94 -8.933 2.652 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.671 0.437 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.432 1.998 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.005 0.679 2.831 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.654 1.558 4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.994 2.718 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.947 3.651 3.290 1.00 0.00 H new ATOM 1375 N PHE A 95 -8.762 0.382 0.276 1.00 0.00 N ATOM 1376 CA PHE A 95 -8.649 -0.660 -0.738 1.00 0.00 C ATOM 1377 C PHE A 95 -8.713 -2.046 -0.104 1.00 0.00 C ATOM 1378 O PHE A 95 -8.227 -2.255 1.008 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.342 -0.503 -1.518 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.227 0.811 -2.238 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -6.846 1.957 -1.559 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.502 0.899 -3.593 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -6.739 3.167 -2.219 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.396 2.106 -4.258 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.016 3.241 -3.570 1.00 0.00 C ATOM 0 H PHE A 95 -7.912 0.538 0.817 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.489 -0.555 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.503 -0.606 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.261 -1.313 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.630 1.904 -0.502 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.802 0.015 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.439 4.053 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.610 2.161 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.935 4.185 -4.088 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.315 -2.990 -0.819 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.443 -4.357 -0.328 1.00 0.00 C ATOM 1397 C LYS A 96 -8.729 -5.337 -1.254 1.00 0.00 C ATOM 1398 O LYS A 96 -8.877 -5.272 -2.475 1.00 0.00 O ATOM 1399 CB LYS A 96 -10.919 -4.740 -0.203 1.00 0.00 C ATOM 1400 CG LYS A 96 -11.585 -5.041 -1.535 1.00 0.00 C ATOM 1401 CD LYS A 96 -11.475 -6.513 -1.893 1.00 0.00 C ATOM 1402 CE LYS A 96 -11.781 -6.753 -3.364 1.00 0.00 C ATOM 1403 NZ LYS A 96 -11.532 -8.167 -3.759 1.00 0.00 N ATOM 0 H LYS A 96 -9.722 -2.833 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.976 -4.408 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.005 -5.614 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.456 -3.928 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.636 -4.754 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.123 -4.440 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.470 -6.870 -1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.165 -7.091 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.821 -6.498 -3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.167 -6.092 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.752 -8.290 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.533 -8.404 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.136 -8.797 -3.194 1.00 0.00 H new ATOM 1417 N VAL A 97 -7.957 -6.245 -0.667 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.223 -7.240 -1.439 1.00 0.00 C ATOM 1419 C VAL A 97 -7.147 -8.568 -0.695 1.00 0.00 C ATOM 1420 O VAL A 97 -6.749 -8.617 0.469 1.00 0.00 O ATOM 1421 CB VAL A 97 -5.794 -6.760 -1.758 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.831 -5.478 -2.576 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.000 -6.562 -0.476 1.00 0.00 C ATOM 0 H VAL A 97 -7.823 -6.312 0.342 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.768 -7.381 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.296 -7.527 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.813 -5.154 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.360 -5.659 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.347 -4.701 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.993 -6.223 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.494 -5.815 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.943 -7.506 0.066 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.532 -9.643 -1.374 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.509 -10.973 -0.776 1.00 0.00 C ATOM 1435 C ARG A 98 -6.183 -11.674 -1.061 1.00 0.00 C ATOM 1436 O ARG A 98 -5.678 -11.637 -2.183 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.668 -11.816 -1.310 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.044 -12.978 -0.405 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.281 -13.702 -0.912 1.00 0.00 C ATOM 1440 NE ARG A 98 -11.436 -12.813 -1.003 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.692 -12.046 -2.058 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -10.879 -12.060 -3.105 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -12.764 -11.264 -2.066 1.00 0.00 N ATOM 0 H ARG A 98 -7.864 -9.620 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.617 -10.861 0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.539 -11.176 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.401 -12.204 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.211 -13.678 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.225 -12.610 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.074 -14.129 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.514 -14.532 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.081 -12.779 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.054 -12.660 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.078 -11.470 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.392 -11.251 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.960 -10.676 -2.876 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.625 -12.311 -0.037 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.359 -13.021 -0.177 1.00 0.00 C ATOM 1459 C VAL A 99 -4.586 -14.513 -0.391 1.00 0.00 C ATOM 1460 O VAL A 99 -5.413 -15.128 0.280 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.464 -12.821 1.060 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.065 -13.517 2.272 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.056 -13.330 0.787 1.00 0.00 C ATOM 0 H VAL A 99 -6.029 -12.350 0.899 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.857 -12.604 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.405 -11.754 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.419 -13.365 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.051 -13.101 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.156 -14.584 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.437 -13.181 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.094 -14.392 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.627 -12.782 -0.052 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.844 -15.090 -1.332 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.980 -16.507 -1.618 1.00 0.00 C ATOM 1475 C GLY A 100 -3.005 -16.980 -2.678 1.00 0.00 C ATOM 1476 O GLY A 100 -2.427 -16.171 -3.403 1.00 0.00 O ATOM 0 H GLY A 100 -3.152 -14.602 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.821 -17.076 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.998 -16.712 -1.948 1.00 0.00 H new