USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 745 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 Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 161:sc= -1.93! USER MOD Single : A 11 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.8) USER MOD Single : A 12 GLN : amide:sc= -14.6! C(o=-15!,f=-15!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 31:sc= 0.394 USER MOD Single : A 36 SER OG : rot 180:sc= -0.571 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -130:sc= -0.849 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= -1.04 (180deg=-1.05) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 135:sc= -1.67! (180deg=-5.23!) USER MOD Single : A 48 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.95) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.727 X(o=-0.73,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.631 K(o=0.63,f=-0.45) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -147:sc= -5.84! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 68 HIS : no HD1:sc= -0.814 X(o=-0.81,f=-0.65) USER MOD Single : A 69 THR OG1 : rot 140:sc= -1.32 USER MOD Single : A 70 MET CE :methyl 137:sc= -9.64! (180deg=-14.4!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.635 F(o=-1.9,f=-0.63) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -149:sc= -0.25 (180deg=-1.01) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.54) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 11.288 5.212 9.288 1.00 0.00 N ATOM 43 CA TRP A 3 10.596 5.197 8.000 1.00 0.00 C ATOM 44 C TRP A 3 9.303 6.012 8.051 1.00 0.00 C ATOM 45 O TRP A 3 9.184 7.035 7.378 1.00 0.00 O ATOM 46 CB TRP A 3 10.295 3.761 7.530 1.00 0.00 C ATOM 47 CG TRP A 3 10.225 2.736 8.626 1.00 0.00 C ATOM 48 CD1 TRP A 3 11.277 2.131 9.255 1.00 0.00 C ATOM 49 CD2 TRP A 3 9.039 2.177 9.203 1.00 0.00 C ATOM 50 NE1 TRP A 3 10.817 1.246 10.199 1.00 0.00 N ATOM 51 CE2 TRP A 3 9.447 1.254 10.185 1.00 0.00 C ATOM 52 CE3 TRP A 3 7.673 2.373 8.990 1.00 0.00 C ATOM 53 CZ2 TRP A 3 8.537 0.529 10.950 1.00 0.00 C ATOM 54 CZ3 TRP A 3 6.770 1.652 9.749 1.00 0.00 C ATOM 55 CH2 TRP A 3 7.205 0.740 10.719 1.00 0.00 C ATOM 0 HA TRP A 3 11.269 5.658 7.277 1.00 0.00 H new ATOM 0 HB2 TRP A 3 9.347 3.762 6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 3 11.064 3.459 6.819 1.00 0.00 H new ATOM 0 HD1 TRP A 3 12.318 2.321 9.041 1.00 0.00 H new ATOM 0 HE1 TRP A 3 11.400 0.676 10.811 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.328 3.075 8.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 8.871 -0.174 11.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 5.711 1.794 9.591 1.00 0.00 H new ATOM 0 HH2 TRP A 3 6.475 0.192 11.296 1.00 0.00 H new ATOM 66 N TYR A 4 8.338 5.558 8.846 1.00 0.00 N ATOM 67 CA TYR A 4 7.063 6.261 8.961 1.00 0.00 C ATOM 68 C TYR A 4 7.190 7.497 9.851 1.00 0.00 C ATOM 69 O TYR A 4 8.108 7.599 10.666 1.00 0.00 O ATOM 70 CB TYR A 4 5.971 5.323 9.494 1.00 0.00 C ATOM 71 CG TYR A 4 5.885 5.253 11.005 1.00 0.00 C ATOM 72 CD1 TYR A 4 6.634 4.328 11.721 1.00 0.00 C ATOM 73 CD2 TYR A 4 5.052 6.112 11.711 1.00 0.00 C ATOM 74 CE1 TYR A 4 6.554 4.261 13.100 1.00 0.00 C ATOM 75 CE2 TYR A 4 4.967 6.051 13.089 1.00 0.00 C ATOM 76 CZ TYR A 4 5.720 5.125 13.778 1.00 0.00 C ATOM 77 OH TYR A 4 5.639 5.061 15.150 1.00 0.00 O ATOM 0 H TYR A 4 8.412 4.715 9.415 1.00 0.00 H new ATOM 0 HA TYR A 4 6.776 6.594 7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.007 5.649 9.103 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.150 4.320 9.106 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.289 3.651 11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.461 6.839 11.174 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.142 3.536 13.643 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.314 6.725 13.623 1.00 0.00 H new ATOM 0 HH TYR A 4 5.008 5.738 15.472 1.00 0.00 H new ATOM 129 N VAL A 8 4.677 8.255 4.126 1.00 0.00 N ATOM 130 CA VAL A 8 5.402 7.029 3.822 1.00 0.00 C ATOM 131 C VAL A 8 5.839 6.991 2.360 1.00 0.00 C ATOM 132 O VAL A 8 6.853 7.585 2.000 1.00 0.00 O ATOM 133 CB VAL A 8 4.569 5.780 4.177 1.00 0.00 C ATOM 134 CG1 VAL A 8 5.431 4.529 4.139 1.00 0.00 C ATOM 135 CG2 VAL A 8 3.921 5.946 5.543 1.00 0.00 C ATOM 0 HA VAL A 8 6.299 7.020 4.441 1.00 0.00 H new ATOM 0 HB VAL A 8 3.780 5.669 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.823 3.660 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.845 4.403 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.244 4.625 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.337 5.057 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.695 6.083 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.266 6.818 5.532 1.00 0.00 H new ATOM 145 N THR A 9 5.074 6.301 1.525 1.00 0.00 N ATOM 146 CA THR A 9 5.372 6.188 0.096 1.00 0.00 C ATOM 147 C THR A 9 5.713 7.570 -0.492 1.00 0.00 C ATOM 148 O THR A 9 5.740 8.560 0.239 1.00 0.00 O ATOM 149 CB THR A 9 4.179 5.515 -0.603 1.00 0.00 C ATOM 150 OG1 THR A 9 3.970 4.223 -0.067 1.00 0.00 O ATOM 151 CG2 THR A 9 4.312 5.357 -2.104 1.00 0.00 C ATOM 0 H THR A 9 4.231 5.804 1.814 1.00 0.00 H new ATOM 0 HA THR A 9 6.252 5.565 -0.066 1.00 0.00 H new ATOM 0 HB THR A 9 3.344 6.192 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.059 3.927 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.419 4.872 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.426 6.338 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.186 4.747 -2.330 1.00 0.00 H new ATOM 159 N ARG A 10 6.015 7.644 -1.791 1.00 0.00 N ATOM 160 CA ARG A 10 6.396 8.905 -2.429 1.00 0.00 C ATOM 161 C ARG A 10 7.813 9.263 -2.003 1.00 0.00 C ATOM 162 O ARG A 10 8.693 9.466 -2.835 1.00 0.00 O ATOM 163 CB ARG A 10 5.411 10.023 -2.069 1.00 0.00 C ATOM 164 CG ARG A 10 6.010 11.426 -2.058 1.00 0.00 C ATOM 165 CD ARG A 10 6.271 11.909 -0.639 1.00 0.00 C ATOM 166 NE ARG A 10 7.206 13.032 -0.604 1.00 0.00 N ATOM 167 CZ ARG A 10 7.304 13.885 0.414 1.00 0.00 C ATOM 168 NH1 ARG A 10 6.535 13.744 1.486 1.00 0.00 N ATOM 169 NH2 ARG A 10 8.177 14.882 0.360 1.00 0.00 N ATOM 0 H ARG A 10 6.003 6.843 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 10 6.364 8.788 -3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.584 10.002 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.991 9.815 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.943 11.429 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.332 12.116 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.329 12.208 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.670 11.087 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 10 7.820 13.171 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.863 12.978 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.616 14.401 2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.772 14.995 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.253 15.536 1.139 1.00 0.00 H new ATOM 183 N HIS A 11 8.022 9.306 -0.695 1.00 0.00 N ATOM 184 CA HIS A 11 9.330 9.593 -0.131 1.00 0.00 C ATOM 185 C HIS A 11 9.977 8.282 0.305 1.00 0.00 C ATOM 186 O HIS A 11 11.161 8.038 0.056 1.00 0.00 O ATOM 187 CB HIS A 11 9.206 10.546 1.059 1.00 0.00 C ATOM 188 CG HIS A 11 10.521 11.070 1.546 1.00 0.00 C ATOM 189 ND1 HIS A 11 11.719 10.796 0.921 1.00 0.00 N ATOM 190 CD2 HIS A 11 10.823 11.857 2.606 1.00 0.00 C ATOM 191 CE1 HIS A 11 12.701 11.391 1.575 1.00 0.00 C ATOM 192 NE2 HIS A 11 12.184 12.042 2.600 1.00 0.00 N ATOM 0 H HIS A 11 7.294 9.144 0.000 1.00 0.00 H new ATOM 0 HA HIS A 11 9.951 10.077 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.572 11.386 0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.705 10.029 1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.124 12.263 3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 11 13.748 11.351 1.315 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.710 12.593 3.278 1.00 0.00 H new ATOM 201 N GLN A 12 9.173 7.429 0.940 1.00 0.00 N ATOM 202 CA GLN A 12 9.641 6.127 1.397 1.00 0.00 C ATOM 203 C GLN A 12 9.719 5.152 0.232 1.00 0.00 C ATOM 204 O GLN A 12 10.684 4.398 0.111 1.00 0.00 O ATOM 205 CB GLN A 12 8.713 5.551 2.469 1.00 0.00 C ATOM 206 CG GLN A 12 8.756 6.296 3.795 1.00 0.00 C ATOM 207 CD GLN A 12 8.170 5.495 4.946 1.00 0.00 C ATOM 208 OE1 GLN A 12 7.539 6.052 5.844 1.00 0.00 O ATOM 209 NE2 GLN A 12 8.380 4.182 4.935 1.00 0.00 N ATOM 0 H GLN A 12 8.193 7.620 1.148 1.00 0.00 H new ATOM 0 HA GLN A 12 10.633 6.267 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.690 5.561 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.979 4.508 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.789 6.553 4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.209 7.234 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.908 3.756 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.013 3.601 5.688 1.00 0.00 H new ATOM 218 N ALA A 13 8.698 5.162 -0.628 1.00 0.00 N ATOM 219 CA ALA A 13 8.677 4.264 -1.775 1.00 0.00 C ATOM 220 C ALA A 13 9.946 4.407 -2.603 1.00 0.00 C ATOM 221 O ALA A 13 10.359 3.476 -3.290 1.00 0.00 O ATOM 222 CB ALA A 13 7.454 4.519 -2.630 1.00 0.00 C ATOM 0 H ALA A 13 7.887 5.775 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 13 8.630 3.241 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.457 3.838 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.555 4.354 -2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.469 5.548 -2.988 1.00 0.00 H new ATOM 228 N GLU A 14 10.581 5.569 -2.516 1.00 0.00 N ATOM 229 CA GLU A 14 11.819 5.800 -3.240 1.00 0.00 C ATOM 230 C GLU A 14 12.963 5.238 -2.429 1.00 0.00 C ATOM 231 O GLU A 14 13.670 4.337 -2.862 1.00 0.00 O ATOM 232 CB GLU A 14 12.064 7.283 -3.495 1.00 0.00 C ATOM 233 CG GLU A 14 10.803 8.110 -3.562 1.00 0.00 C ATOM 234 CD GLU A 14 10.137 8.058 -4.924 1.00 0.00 C ATOM 235 OE1 GLU A 14 9.823 6.943 -5.389 1.00 0.00 O ATOM 236 OE2 GLU A 14 9.928 9.134 -5.524 1.00 0.00 O ATOM 0 H GLU A 14 10.261 6.359 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 14 11.746 5.307 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.703 7.677 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.610 7.395 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.102 7.757 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.040 9.146 -3.318 1.00 0.00 H new ATOM 243 N CYS A 15 13.115 5.768 -1.225 1.00 0.00 N ATOM 244 CA CYS A 15 14.161 5.306 -0.322 1.00 0.00 C ATOM 245 C CYS A 15 14.037 3.801 -0.059 1.00 0.00 C ATOM 246 O CYS A 15 14.956 3.181 0.476 1.00 0.00 O ATOM 247 CB CYS A 15 14.096 6.072 1.000 1.00 0.00 C ATOM 248 SG CYS A 15 14.731 7.763 0.906 1.00 0.00 S ATOM 0 H CYS A 15 12.531 6.515 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 15 15.123 5.493 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.061 6.103 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.662 5.524 1.753 1.00 0.00 H new ATOM 0 HG CYS A 15 14.632 8.329 2.072 1.00 0.00 H new ATOM 254 N ALA A 16 12.892 3.220 -0.428 1.00 0.00 N ATOM 255 CA ALA A 16 12.654 1.796 -0.218 1.00 0.00 C ATOM 256 C ALA A 16 12.569 1.025 -1.532 1.00 0.00 C ATOM 257 O ALA A 16 12.963 -0.139 -1.604 1.00 0.00 O ATOM 258 CB ALA A 16 11.365 1.603 0.558 1.00 0.00 C ATOM 0 H ALA A 16 12.119 3.716 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 16 13.501 1.404 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.190 0.538 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.443 2.103 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.534 2.029 -0.005 1.00 0.00 H new ATOM 264 N LEU A 17 12.038 1.670 -2.564 1.00 0.00 N ATOM 265 CA LEU A 17 11.888 1.025 -3.866 1.00 0.00 C ATOM 266 C LEU A 17 12.675 1.748 -4.940 1.00 0.00 C ATOM 267 O LEU A 17 12.425 1.578 -6.131 1.00 0.00 O ATOM 268 CB LEU A 17 10.423 0.962 -4.257 1.00 0.00 C ATOM 269 CG LEU A 17 9.469 0.807 -3.076 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.033 0.821 -3.541 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.771 -0.473 -2.321 1.00 0.00 C ATOM 0 H LEU A 17 11.705 2.634 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 17 12.284 0.013 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.164 1.870 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.276 0.126 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 17 9.615 1.652 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.371 0.709 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.822 1.766 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.868 -0.002 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.083 -0.571 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.652 -1.326 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.795 -0.443 -1.949 1.00 0.00 H new ATOM 283 N ASN A 18 13.633 2.545 -4.508 1.00 0.00 N ATOM 284 CA ASN A 18 14.489 3.291 -5.430 1.00 0.00 C ATOM 285 C ASN A 18 14.963 2.380 -6.560 1.00 0.00 C ATOM 286 O ASN A 18 15.223 2.833 -7.675 1.00 0.00 O ATOM 287 CB ASN A 18 15.706 3.866 -4.695 1.00 0.00 C ATOM 288 CG ASN A 18 16.507 4.822 -5.557 1.00 0.00 C ATOM 289 OD1 ASN A 18 16.452 4.767 -6.785 1.00 0.00 O ATOM 290 ND2 ASN A 18 17.258 5.709 -4.913 1.00 0.00 N ATOM 0 H ASN A 18 13.844 2.698 -3.522 1.00 0.00 H new ATOM 0 HA ASN A 18 13.906 4.113 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.372 4.385 -3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.350 3.049 -4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.819 6.380 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.274 5.719 -3.893 1.00 0.00 H new ATOM 297 N GLU A 19 15.067 1.087 -6.257 1.00 0.00 N ATOM 298 CA GLU A 19 15.506 0.103 -7.240 1.00 0.00 C ATOM 299 C GLU A 19 14.329 -0.430 -8.055 1.00 0.00 C ATOM 300 O GLU A 19 14.504 -0.874 -9.190 1.00 0.00 O ATOM 301 CB GLU A 19 16.221 -1.058 -6.546 1.00 0.00 C ATOM 302 CG GLU A 19 16.971 -1.968 -7.505 1.00 0.00 C ATOM 303 CD GLU A 19 17.955 -1.210 -8.376 1.00 0.00 C ATOM 304 OE1 GLU A 19 18.936 -0.666 -7.827 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.743 -1.159 -9.606 1.00 0.00 O ATOM 0 H GLU A 19 14.853 0.698 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 19 16.198 0.599 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.923 -0.657 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.489 -1.648 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.506 -2.729 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.255 -2.490 -8.140 1.00 0.00 H new ATOM 312 N ARG A 20 13.130 -0.389 -7.474 1.00 0.00 N ATOM 313 CA ARG A 20 11.934 -0.874 -8.155 1.00 0.00 C ATOM 314 C ARG A 20 11.939 -2.397 -8.220 1.00 0.00 C ATOM 315 O ARG A 20 12.035 -2.986 -9.296 1.00 0.00 O ATOM 316 CB ARG A 20 11.842 -0.286 -9.567 1.00 0.00 C ATOM 317 CG ARG A 20 10.431 -0.276 -10.132 1.00 0.00 C ATOM 318 CD ARG A 20 9.660 0.955 -9.683 1.00 0.00 C ATOM 319 NE ARG A 20 8.799 1.478 -10.741 1.00 0.00 N ATOM 320 CZ ARG A 20 7.770 2.295 -10.525 1.00 0.00 C ATOM 321 NH1 ARG A 20 7.472 2.687 -9.292 1.00 0.00 N ATOM 322 NH2 ARG A 20 7.038 2.721 -11.545 1.00 0.00 N ATOM 0 H ARG A 20 12.963 -0.026 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 20 11.062 -0.551 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.226 0.734 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.487 -0.859 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.474 -0.303 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.903 -1.174 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.054 0.705 -8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.362 1.729 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 20 8.998 1.201 -11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.033 2.362 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.683 3.313 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.263 2.423 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.250 3.347 -11.381 1.00 0.00 H new ATOM 336 N GLY A 21 11.843 -3.026 -7.054 1.00 0.00 N ATOM 337 CA GLY A 21 11.846 -4.475 -6.988 1.00 0.00 C ATOM 338 C GLY A 21 12.595 -4.989 -5.776 1.00 0.00 C ATOM 339 O GLY A 21 13.669 -5.579 -5.903 1.00 0.00 O ATOM 0 H GLY A 21 11.763 -2.557 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.819 -4.838 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.302 -4.878 -7.893 1.00 0.00 H new ATOM 343 N VAL A 22 12.029 -4.758 -4.597 1.00 0.00 N ATOM 344 CA VAL A 22 12.646 -5.192 -3.351 1.00 0.00 C ATOM 345 C VAL A 22 11.866 -6.349 -2.732 1.00 0.00 C ATOM 346 O VAL A 22 10.725 -6.609 -3.113 1.00 0.00 O ATOM 347 CB VAL A 22 12.724 -4.028 -2.343 1.00 0.00 C ATOM 348 CG1 VAL A 22 13.529 -4.426 -1.116 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.322 -2.796 -3.004 1.00 0.00 C ATOM 0 H VAL A 22 11.141 -4.271 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 22 13.656 -5.529 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 22 11.712 -3.788 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.570 -3.588 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.054 -5.279 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.541 -4.697 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.371 -1.982 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.326 -3.026 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.698 -2.496 -3.846 1.00 0.00 H new ATOM 359 N GLU A 23 12.495 -7.045 -1.784 1.00 0.00 N ATOM 360 CA GLU A 23 11.875 -8.187 -1.109 1.00 0.00 C ATOM 361 C GLU A 23 10.379 -7.968 -0.877 1.00 0.00 C ATOM 362 O GLU A 23 9.547 -8.496 -1.615 1.00 0.00 O ATOM 363 CB GLU A 23 12.578 -8.455 0.224 1.00 0.00 C ATOM 364 CG GLU A 23 12.020 -9.651 0.978 1.00 0.00 C ATOM 365 CD GLU A 23 12.558 -10.969 0.457 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.766 -11.231 0.637 1.00 0.00 O ATOM 367 OE2 GLU A 23 11.771 -11.740 -0.131 1.00 0.00 O ATOM 0 H GLU A 23 13.441 -6.836 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 23 11.986 -9.054 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.640 -8.616 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.495 -7.569 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.264 -9.555 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.933 -9.650 0.901 1.00 0.00 H new ATOM 374 N GLY A 24 10.041 -7.189 0.147 1.00 0.00 N ATOM 375 CA GLY A 24 8.649 -6.923 0.442 1.00 0.00 C ATOM 376 C GLY A 24 8.426 -5.525 0.954 1.00 0.00 C ATOM 377 O GLY A 24 7.824 -5.328 2.010 1.00 0.00 O ATOM 0 H GLY A 24 10.707 -6.739 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.054 -7.076 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.295 -7.639 1.183 1.00 0.00 H new ATOM 381 N ASP A 25 8.885 -4.546 0.188 1.00 0.00 N ATOM 382 CA ASP A 25 8.709 -3.169 0.547 1.00 0.00 C ATOM 383 C ASP A 25 7.344 -2.713 0.062 1.00 0.00 C ATOM 384 O ASP A 25 7.109 -2.570 -1.143 1.00 0.00 O ATOM 385 CB ASP A 25 9.804 -2.341 -0.096 1.00 0.00 C ATOM 386 CG ASP A 25 11.133 -2.475 0.620 1.00 0.00 C ATOM 387 OD1 ASP A 25 11.129 -2.840 1.814 1.00 0.00 O ATOM 388 OD2 ASP A 25 12.179 -2.215 -0.013 1.00 0.00 O ATOM 0 H ASP A 25 9.384 -4.694 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 25 8.767 -3.045 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.923 -2.647 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.504 -1.293 -0.105 1.00 0.00 H new ATOM 393 N PHE A 26 6.439 -2.522 1.007 1.00 0.00 N ATOM 394 CA PHE A 26 5.075 -2.123 0.702 1.00 0.00 C ATOM 395 C PHE A 26 4.679 -0.942 1.576 1.00 0.00 C ATOM 396 O PHE A 26 4.863 -0.993 2.790 1.00 0.00 O ATOM 397 CB PHE A 26 4.116 -3.293 0.973 1.00 0.00 C ATOM 398 CG PHE A 26 4.695 -4.678 0.744 1.00 0.00 C ATOM 399 CD1 PHE A 26 5.532 -4.937 -0.328 1.00 0.00 C ATOM 400 CD2 PHE A 26 4.366 -5.733 1.585 1.00 0.00 C ATOM 401 CE1 PHE A 26 6.022 -6.201 -0.560 1.00 0.00 C ATOM 402 CE2 PHE A 26 4.866 -7.001 1.363 1.00 0.00 C ATOM 403 CZ PHE A 26 5.693 -7.236 0.288 1.00 0.00 C ATOM 0 H PHE A 26 6.627 -2.638 2.003 1.00 0.00 H new ATOM 0 HA PHE A 26 5.016 -1.839 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.773 -3.228 2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.238 -3.175 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.805 -4.132 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.710 -5.559 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.666 -6.383 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.608 -7.808 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.082 -8.228 0.110 1.00 0.00 H new ATOM 413 N LEU A 27 4.148 0.130 0.982 1.00 0.00 N ATOM 414 CA LEU A 27 3.773 1.287 1.798 1.00 0.00 C ATOM 415 C LEU A 27 2.595 2.081 1.235 1.00 0.00 C ATOM 416 O LEU A 27 2.502 2.323 0.031 1.00 0.00 O ATOM 417 CB LEU A 27 4.976 2.218 1.998 1.00 0.00 C ATOM 418 CG LEU A 27 6.127 2.048 1.002 1.00 0.00 C ATOM 419 CD1 LEU A 27 6.795 3.389 0.727 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.140 1.041 1.529 1.00 0.00 C ATOM 0 H LEU A 27 3.973 0.222 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 27 3.449 0.882 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.626 3.249 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.366 2.064 3.004 1.00 0.00 H new ATOM 0 HG LEU A 27 5.722 1.669 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.611 3.250 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.064 4.081 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.189 3.797 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.952 0.931 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.542 1.393 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.652 0.077 1.676 1.00 0.00 H new ATOM 432 N ILE A 28 1.724 2.509 2.158 1.00 0.00 N ATOM 433 CA ILE A 28 0.546 3.318 1.844 1.00 0.00 C ATOM 434 C ILE A 28 0.739 4.720 2.425 1.00 0.00 C ATOM 435 O ILE A 28 0.949 4.874 3.628 1.00 0.00 O ATOM 436 CB ILE A 28 -0.746 2.679 2.433 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.348 1.658 1.461 1.00 0.00 C ATOM 438 CG2 ILE A 28 -1.786 3.733 2.789 1.00 0.00 C ATOM 439 CD1 ILE A 28 -2.651 2.108 0.826 1.00 0.00 C ATOM 0 H ILE A 28 1.821 2.300 3.152 1.00 0.00 H new ATOM 0 HA ILE A 28 0.433 3.370 0.761 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.457 2.165 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.624 1.450 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.518 0.722 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.672 3.247 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.373 4.416 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.058 4.292 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.014 1.332 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.392 2.288 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.484 3.027 0.265 1.00 0.00 H new ATOM 451 N ARG A 29 0.690 5.737 1.570 1.00 0.00 N ATOM 452 CA ARG A 29 0.886 7.114 2.019 1.00 0.00 C ATOM 453 C ARG A 29 -0.378 7.950 1.861 1.00 0.00 C ATOM 454 O ARG A 29 -1.250 7.639 1.050 1.00 0.00 O ATOM 455 CB ARG A 29 2.029 7.765 1.244 1.00 0.00 C ATOM 456 CG ARG A 29 1.805 7.797 -0.259 1.00 0.00 C ATOM 457 CD ARG A 29 2.997 8.404 -0.985 1.00 0.00 C ATOM 458 NE ARG A 29 2.595 9.473 -1.896 1.00 0.00 N ATOM 459 CZ ARG A 29 2.270 10.703 -1.501 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.305 11.024 -0.214 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.912 11.614 -2.396 1.00 0.00 N ATOM 0 H ARG A 29 0.518 5.637 0.570 1.00 0.00 H new ATOM 0 HA ARG A 29 1.134 7.076 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.167 8.785 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.953 7.226 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.631 6.785 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.908 8.375 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.705 8.797 -0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.515 7.626 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 29 2.561 9.265 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.582 10.328 0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.055 11.967 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.886 11.373 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.663 12.556 -2.094 1.00 0.00 H new ATOM 475 N ASP A 30 -0.461 9.022 2.646 1.00 0.00 N ATOM 476 CA ASP A 30 -1.605 9.923 2.606 1.00 0.00 C ATOM 477 C ASP A 30 -1.386 11.026 1.576 1.00 0.00 C ATOM 478 O ASP A 30 -0.259 11.271 1.144 1.00 0.00 O ATOM 479 CB ASP A 30 -1.840 10.541 3.986 1.00 0.00 C ATOM 480 CG ASP A 30 -3.045 11.461 4.015 1.00 0.00 C ATOM 481 OD1 ASP A 30 -4.013 11.195 3.271 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.020 12.448 4.780 1.00 0.00 O ATOM 0 H ASP A 30 0.257 9.287 3.321 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.484 9.346 2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.977 9.745 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.953 11.100 4.286 1.00 0.00 H new ATOM 487 N SER A 31 -2.468 11.691 1.188 1.00 0.00 N ATOM 488 CA SER A 31 -2.390 12.769 0.211 1.00 0.00 C ATOM 489 C SER A 31 -3.045 14.037 0.748 1.00 0.00 C ATOM 490 O SER A 31 -4.259 14.213 0.646 1.00 0.00 O ATOM 491 CB SER A 31 -3.062 12.347 -1.097 1.00 0.00 C ATOM 492 OG SER A 31 -2.206 11.520 -1.867 1.00 0.00 O ATOM 0 H SER A 31 -3.408 11.502 1.535 1.00 0.00 H new ATOM 0 HA SER A 31 -1.338 12.979 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.988 11.814 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.332 13.232 -1.673 1.00 0.00 H new ATOM 0 HG SER A 31 -2.659 11.263 -2.697 1.00 0.00 H new ATOM 498 N GLU A 32 -2.232 14.918 1.324 1.00 0.00 N ATOM 499 CA GLU A 32 -2.728 16.174 1.883 1.00 0.00 C ATOM 500 C GLU A 32 -3.617 16.913 0.884 1.00 0.00 C ATOM 501 O GLU A 32 -4.507 17.669 1.274 1.00 0.00 O ATOM 502 CB GLU A 32 -1.559 17.070 2.294 1.00 0.00 C ATOM 503 CG GLU A 32 -0.924 16.676 3.617 1.00 0.00 C ATOM 504 CD GLU A 32 0.382 17.400 3.873 1.00 0.00 C ATOM 505 OE1 GLU A 32 1.294 17.297 3.026 1.00 0.00 O ATOM 506 OE2 GLU A 32 0.494 18.071 4.921 1.00 0.00 O ATOM 0 H GLU A 32 -1.225 14.786 1.416 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.326 15.933 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.799 17.041 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.908 18.100 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.620 16.891 4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.747 15.601 3.625 1.00 0.00 H new ATOM 513 N SER A 33 -3.369 16.692 -0.404 1.00 0.00 N ATOM 514 CA SER A 33 -4.147 17.338 -1.457 1.00 0.00 C ATOM 515 C SER A 33 -5.643 17.134 -1.238 1.00 0.00 C ATOM 516 O SER A 33 -6.447 18.029 -1.499 1.00 0.00 O ATOM 517 CB SER A 33 -3.743 16.792 -2.828 1.00 0.00 C ATOM 518 OG SER A 33 -4.575 17.313 -3.850 1.00 0.00 O ATOM 0 H SER A 33 -2.635 16.070 -0.744 1.00 0.00 H new ATOM 0 HA SER A 33 -3.937 18.407 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.704 17.050 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.806 15.704 -2.823 1.00 0.00 H new ATOM 0 HG SER A 33 -4.295 16.950 -4.716 1.00 0.00 H new ATOM 524 N SER A 34 -6.008 15.951 -0.757 1.00 0.00 N ATOM 525 CA SER A 34 -7.406 15.628 -0.500 1.00 0.00 C ATOM 526 C SER A 34 -7.526 14.556 0.580 1.00 0.00 C ATOM 527 O SER A 34 -6.688 13.659 0.670 1.00 0.00 O ATOM 528 CB SER A 34 -8.086 15.152 -1.785 1.00 0.00 C ATOM 529 OG SER A 34 -8.580 16.246 -2.538 1.00 0.00 O ATOM 0 H SER A 34 -5.354 15.199 -0.537 1.00 0.00 H new ATOM 0 HA SER A 34 -7.903 16.532 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.376 14.584 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.906 14.478 -1.538 1.00 0.00 H new ATOM 0 HG SER A 34 -8.013 17.031 -2.386 1.00 0.00 H new ATOM 535 N PRO A 35 -8.576 14.632 1.416 1.00 0.00 N ATOM 536 CA PRO A 35 -8.798 13.661 2.491 1.00 0.00 C ATOM 537 C PRO A 35 -9.188 12.286 1.960 1.00 0.00 C ATOM 538 O PRO A 35 -9.054 11.279 2.656 1.00 0.00 O ATOM 539 CB PRO A 35 -9.953 14.270 3.289 1.00 0.00 C ATOM 540 CG PRO A 35 -10.676 15.129 2.311 1.00 0.00 C ATOM 541 CD PRO A 35 -9.627 15.668 1.380 1.00 0.00 C ATOM 0 HA PRO A 35 -7.896 13.494 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.605 13.497 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.587 14.853 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.424 14.554 1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.202 15.939 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.018 15.810 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.251 16.635 1.715 1.00 0.00 H new ATOM 549 N SER A 36 -9.674 12.250 0.723 1.00 0.00 N ATOM 550 CA SER A 36 -10.087 10.999 0.099 1.00 0.00 C ATOM 551 C SER A 36 -9.081 10.557 -0.961 1.00 0.00 C ATOM 552 O SER A 36 -9.462 10.147 -2.057 1.00 0.00 O ATOM 553 CB SER A 36 -11.473 11.157 -0.530 1.00 0.00 C ATOM 554 OG SER A 36 -12.495 10.855 0.404 1.00 0.00 O ATOM 0 H SER A 36 -9.791 13.074 0.133 1.00 0.00 H new ATOM 0 HA SER A 36 -10.129 10.232 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.597 12.178 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.560 10.499 -1.395 1.00 0.00 H new ATOM 0 HG SER A 36 -13.371 10.965 -0.022 1.00 0.00 H new ATOM 560 N ASP A 37 -7.796 10.641 -0.629 1.00 0.00 N ATOM 561 CA ASP A 37 -6.746 10.245 -1.561 1.00 0.00 C ATOM 562 C ASP A 37 -5.605 9.529 -0.841 1.00 0.00 C ATOM 563 O ASP A 37 -5.027 10.056 0.110 1.00 0.00 O ATOM 564 CB ASP A 37 -6.206 11.470 -2.302 1.00 0.00 C ATOM 565 CG ASP A 37 -6.926 11.718 -3.613 1.00 0.00 C ATOM 566 OD1 ASP A 37 -8.157 11.513 -3.662 1.00 0.00 O ATOM 567 OD2 ASP A 37 -6.260 12.117 -4.590 1.00 0.00 O ATOM 0 H ASP A 37 -7.458 10.978 0.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.183 9.552 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.305 12.349 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.142 11.334 -2.495 1.00 0.00 H new ATOM 572 N PHE A 38 -5.284 8.328 -1.313 1.00 0.00 N ATOM 573 CA PHE A 38 -4.208 7.530 -0.735 1.00 0.00 C ATOM 574 C PHE A 38 -3.463 6.771 -1.834 1.00 0.00 C ATOM 575 O PHE A 38 -4.081 6.210 -2.737 1.00 0.00 O ATOM 576 CB PHE A 38 -4.770 6.554 0.303 1.00 0.00 C ATOM 577 CG PHE A 38 -5.095 7.198 1.622 1.00 0.00 C ATOM 578 CD1 PHE A 38 -4.095 7.471 2.542 1.00 0.00 C ATOM 579 CD2 PHE A 38 -6.404 7.527 1.941 1.00 0.00 C ATOM 580 CE1 PHE A 38 -4.394 8.060 3.755 1.00 0.00 C ATOM 581 CE2 PHE A 38 -6.709 8.116 3.153 1.00 0.00 C ATOM 582 CZ PHE A 38 -5.703 8.383 4.062 1.00 0.00 C ATOM 0 H PHE A 38 -5.758 7.884 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.505 8.198 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.672 6.091 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.047 5.755 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.071 7.220 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.194 7.320 1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.606 8.268 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.732 8.367 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.939 8.843 5.010 1.00 0.00 H new ATOM 592 N SER A 39 -2.135 6.772 -1.763 1.00 0.00 N ATOM 593 CA SER A 39 -1.312 6.099 -2.767 1.00 0.00 C ATOM 594 C SER A 39 -0.284 5.173 -2.121 1.00 0.00 C ATOM 595 O SER A 39 0.259 5.482 -1.064 1.00 0.00 O ATOM 596 CB SER A 39 -0.598 7.128 -3.644 1.00 0.00 C ATOM 597 OG SER A 39 -1.123 7.130 -4.960 1.00 0.00 O ATOM 0 H SER A 39 -1.605 7.230 -1.022 1.00 0.00 H new ATOM 0 HA SER A 39 -1.976 5.493 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.704 8.120 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.469 6.906 -3.675 1.00 0.00 H new ATOM 0 HG SER A 39 -0.650 7.798 -5.500 1.00 0.00 H new ATOM 603 N VAL A 40 -0.020 4.035 -2.759 1.00 0.00 N ATOM 604 CA VAL A 40 0.953 3.081 -2.232 1.00 0.00 C ATOM 605 C VAL A 40 1.809 2.471 -3.335 1.00 0.00 C ATOM 606 O VAL A 40 1.337 2.214 -4.444 1.00 0.00 O ATOM 607 CB VAL A 40 0.288 1.942 -1.418 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.201 1.858 -1.687 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.955 0.595 -1.683 1.00 0.00 C ATOM 0 H VAL A 40 -0.462 3.752 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 40 1.591 3.658 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 40 0.428 2.186 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.632 1.048 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.675 2.800 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.369 1.666 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.461 -0.178 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.875 0.351 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.007 0.648 -1.402 1.00 0.00 H new ATOM 619 N SER A 41 3.066 2.210 -2.995 1.00 0.00 N ATOM 620 CA SER A 41 4.005 1.589 -3.919 1.00 0.00 C ATOM 621 C SER A 41 4.209 0.136 -3.509 1.00 0.00 C ATOM 622 O SER A 41 4.443 -0.151 -2.325 1.00 0.00 O ATOM 623 CB SER A 41 5.340 2.337 -3.917 1.00 0.00 C ATOM 624 OG SER A 41 5.179 3.665 -4.386 1.00 0.00 O ATOM 0 H SER A 41 3.460 2.421 -2.078 1.00 0.00 H new ATOM 0 HA SER A 41 3.601 1.632 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.751 2.351 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.057 1.810 -4.546 1.00 0.00 H new ATOM 0 HG SER A 41 5.847 3.851 -5.078 1.00 0.00 H new ATOM 630 N LEU A 42 4.075 -0.788 -4.465 1.00 0.00 N ATOM 631 CA LEU A 42 4.212 -2.202 -4.144 1.00 0.00 C ATOM 632 C LEU A 42 5.095 -2.972 -5.120 1.00 0.00 C ATOM 633 O LEU A 42 4.964 -2.838 -6.336 1.00 0.00 O ATOM 634 CB LEU A 42 2.826 -2.849 -4.094 1.00 0.00 C ATOM 635 CG LEU A 42 2.617 -3.899 -2.998 1.00 0.00 C ATOM 636 CD1 LEU A 42 3.711 -3.815 -1.946 1.00 0.00 C ATOM 637 CD2 LEU A 42 1.244 -3.737 -2.356 1.00 0.00 C ATOM 0 H LEU A 42 3.876 -0.585 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 42 4.705 -2.253 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.083 -2.062 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.629 -3.315 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 42 2.669 -4.884 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.538 -4.571 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.680 -3.988 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.700 -2.826 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.114 -4.491 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.164 -2.744 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.471 -3.860 -3.115 1.00 0.00 H new ATOM 649 N LYS A 43 5.969 -3.816 -4.565 1.00 0.00 N ATOM 650 CA LYS A 43 6.855 -4.657 -5.367 1.00 0.00 C ATOM 651 C LYS A 43 6.601 -6.130 -5.050 1.00 0.00 C ATOM 652 O LYS A 43 6.243 -6.474 -3.923 1.00 0.00 O ATOM 653 CB LYS A 43 8.333 -4.327 -5.111 1.00 0.00 C ATOM 654 CG LYS A 43 8.572 -3.029 -4.358 1.00 0.00 C ATOM 655 CD LYS A 43 8.801 -1.869 -5.309 1.00 0.00 C ATOM 656 CE LYS A 43 7.556 -1.546 -6.115 1.00 0.00 C ATOM 657 NZ LYS A 43 7.861 -0.667 -7.279 1.00 0.00 N ATOM 0 H LYS A 43 6.080 -3.934 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 43 6.639 -4.459 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.782 -5.146 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.851 -4.276 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.715 -2.814 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.436 -3.141 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.105 -0.989 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.620 -2.111 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.102 -2.472 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.824 -1.057 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.995 -0.511 -7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.224 0.246 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.578 -1.122 -7.879 1.00 0.00 H new ATOM 671 N ALA A 44 6.790 -7.000 -6.040 1.00 0.00 N ATOM 672 CA ALA A 44 6.581 -8.427 -5.848 1.00 0.00 C ATOM 673 C ALA A 44 7.820 -9.201 -6.257 1.00 0.00 C ATOM 674 O ALA A 44 8.830 -8.610 -6.640 1.00 0.00 O ATOM 675 CB ALA A 44 5.386 -8.896 -6.661 1.00 0.00 C ATOM 0 H ALA A 44 7.087 -6.739 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 44 6.385 -8.610 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.240 -9.965 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.494 -8.358 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.566 -8.701 -7.718 1.00 0.00 H new ATOM 681 N SER A 45 7.740 -10.523 -6.197 1.00 0.00 N ATOM 682 CA SER A 45 8.865 -11.351 -6.591 1.00 0.00 C ATOM 683 C SER A 45 9.088 -11.223 -8.091 1.00 0.00 C ATOM 684 O SER A 45 8.665 -12.076 -8.871 1.00 0.00 O ATOM 685 CB SER A 45 8.615 -12.813 -6.216 1.00 0.00 C ATOM 686 OG SER A 45 9.836 -13.516 -6.064 1.00 0.00 O ATOM 0 H SER A 45 6.917 -11.038 -5.883 1.00 0.00 H new ATOM 0 HA SER A 45 9.756 -11.012 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.046 -12.861 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.010 -13.291 -6.986 1.00 0.00 H new ATOM 0 HG SER A 45 9.649 -14.447 -5.823 1.00 0.00 H new ATOM 692 N GLY A 46 9.754 -10.144 -8.489 1.00 0.00 N ATOM 693 CA GLY A 46 10.021 -9.915 -9.893 1.00 0.00 C ATOM 694 C GLY A 46 9.354 -8.670 -10.432 1.00 0.00 C ATOM 695 O GLY A 46 10.016 -7.781 -10.968 1.00 0.00 O ATOM 0 H GLY A 46 10.113 -9.424 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.098 -9.836 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.682 -10.778 -10.466 1.00 0.00 H new ATOM 699 N LYS A 47 8.043 -8.614 -10.299 1.00 0.00 N ATOM 700 CA LYS A 47 7.268 -7.497 -10.775 1.00 0.00 C ATOM 701 C LYS A 47 6.716 -6.680 -9.622 1.00 0.00 C ATOM 702 O LYS A 47 6.723 -7.116 -8.476 1.00 0.00 O ATOM 703 CB LYS A 47 6.144 -7.969 -11.685 1.00 0.00 C ATOM 704 CG LYS A 47 5.626 -9.355 -11.373 1.00 0.00 C ATOM 705 CD LYS A 47 4.906 -9.349 -10.045 1.00 0.00 C ATOM 706 CE LYS A 47 5.224 -10.595 -9.232 1.00 0.00 C ATOM 707 NZ LYS A 47 4.931 -11.845 -9.990 1.00 0.00 N ATOM 0 H LYS A 47 7.489 -9.347 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 47 7.931 -6.854 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.317 -7.262 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.496 -7.950 -12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.950 -9.686 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.454 -10.064 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.191 -8.462 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.831 -9.288 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.276 -10.583 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.642 -10.585 -8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.720 -12.513 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.057 -12.276 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.811 -11.620 -10.998 1.00 0.00 H new ATOM 721 N ASN A 48 6.244 -5.494 -9.944 1.00 0.00 N ATOM 722 CA ASN A 48 5.683 -4.589 -8.948 1.00 0.00 C ATOM 723 C ASN A 48 4.350 -4.023 -9.424 1.00 0.00 C ATOM 724 O ASN A 48 4.231 -3.586 -10.569 1.00 0.00 O ATOM 725 CB ASN A 48 6.661 -3.445 -8.670 1.00 0.00 C ATOM 726 CG ASN A 48 7.280 -2.889 -9.938 1.00 0.00 C ATOM 727 OD1 ASN A 48 8.463 -3.097 -10.208 1.00 0.00 O ATOM 728 ND2 ASN A 48 6.482 -2.176 -10.724 1.00 0.00 N ATOM 0 H ASN A 48 6.236 -5.127 -10.895 1.00 0.00 H new ATOM 0 HA ASN A 48 5.514 -5.151 -8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.140 -2.646 -8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.452 -3.800 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.844 -1.776 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.507 -2.028 -10.462 1.00 0.00 H new ATOM 735 N LYS A 49 3.347 -4.020 -8.546 1.00 0.00 N ATOM 736 CA LYS A 49 2.041 -3.485 -8.917 1.00 0.00 C ATOM 737 C LYS A 49 1.850 -2.075 -8.372 1.00 0.00 C ATOM 738 O LYS A 49 2.352 -1.733 -7.293 1.00 0.00 O ATOM 739 CB LYS A 49 0.873 -4.364 -8.442 1.00 0.00 C ATOM 740 CG LYS A 49 1.264 -5.523 -7.554 1.00 0.00 C ATOM 741 CD LYS A 49 1.689 -6.712 -8.385 1.00 0.00 C ATOM 742 CE LYS A 49 0.517 -7.628 -8.698 1.00 0.00 C ATOM 743 NZ LYS A 49 0.427 -7.934 -10.152 1.00 0.00 N ATOM 0 H LYS A 49 3.412 -4.375 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 49 2.030 -3.469 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.162 -3.737 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.354 -4.755 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.079 -5.224 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.424 -5.800 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.137 -6.364 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.457 -7.273 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.622 -8.557 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.410 -7.159 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.384 -8.561 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.302 -7.050 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.301 -8.405 -10.462 1.00 0.00 H new ATOM 757 N HIS A 50 1.089 -1.272 -9.107 1.00 0.00 N ATOM 758 CA HIS A 50 0.786 0.088 -8.686 1.00 0.00 C ATOM 759 C HIS A 50 -0.515 0.079 -7.903 1.00 0.00 C ATOM 760 O HIS A 50 -1.485 -0.563 -8.306 1.00 0.00 O ATOM 761 CB HIS A 50 0.678 1.039 -9.882 1.00 0.00 C ATOM 762 CG HIS A 50 0.160 0.395 -11.131 1.00 0.00 C ATOM 763 ND1 HIS A 50 -1.160 0.469 -11.524 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.793 -0.337 -12.079 1.00 0.00 C ATOM 765 CE1 HIS A 50 -1.317 -0.190 -12.658 1.00 0.00 C ATOM 766 NE2 HIS A 50 -0.148 -0.687 -13.015 1.00 0.00 N ATOM 0 H HIS A 50 0.671 -1.541 -9.998 1.00 0.00 H new ATOM 0 HA HIS A 50 1.600 0.450 -8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.023 1.868 -9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.661 1.463 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.841 -0.596 -12.095 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.244 -0.303 -13.200 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.028 -1.242 -13.852 1.00 0.00 H new ATOM 775 N PHE A 51 -0.527 0.761 -6.770 1.00 0.00 N ATOM 776 CA PHE A 51 -1.712 0.785 -5.926 1.00 0.00 C ATOM 777 C PHE A 51 -2.245 2.198 -5.731 1.00 0.00 C ATOM 778 O PHE A 51 -1.520 3.101 -5.313 1.00 0.00 O ATOM 779 CB PHE A 51 -1.394 0.152 -4.571 1.00 0.00 C ATOM 780 CG PHE A 51 -1.077 -1.315 -4.655 1.00 0.00 C ATOM 781 CD1 PHE A 51 -0.036 -1.771 -5.448 1.00 0.00 C ATOM 782 CD2 PHE A 51 -1.825 -2.240 -3.945 1.00 0.00 C ATOM 783 CE1 PHE A 51 0.253 -3.119 -5.530 1.00 0.00 C ATOM 784 CE2 PHE A 51 -1.540 -3.590 -4.024 1.00 0.00 C ATOM 785 CZ PHE A 51 -0.500 -4.029 -4.818 1.00 0.00 C ATOM 0 H PHE A 51 0.262 1.301 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.490 0.210 -6.428 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.547 0.674 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.244 0.294 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.557 -1.063 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.640 -1.902 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.068 -3.460 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.131 -4.301 -3.465 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.276 -5.084 -4.882 1.00 0.00 H new ATOM 795 N LYS A 52 -3.530 2.371 -6.023 1.00 0.00 N ATOM 796 CA LYS A 52 -4.189 3.659 -5.869 1.00 0.00 C ATOM 797 C LYS A 52 -5.424 3.511 -4.991 1.00 0.00 C ATOM 798 O LYS A 52 -6.303 2.695 -5.269 1.00 0.00 O ATOM 799 CB LYS A 52 -4.581 4.237 -7.229 1.00 0.00 C ATOM 800 CG LYS A 52 -4.366 5.739 -7.332 1.00 0.00 C ATOM 801 CD LYS A 52 -4.284 6.196 -8.780 1.00 0.00 C ATOM 802 CE LYS A 52 -3.127 7.158 -8.996 1.00 0.00 C ATOM 803 NZ LYS A 52 -3.572 8.579 -8.965 1.00 0.00 N ATOM 0 H LYS A 52 -4.137 1.629 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.490 4.346 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.001 3.740 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.630 4.014 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.183 6.259 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.448 6.012 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.164 5.329 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.219 6.680 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.373 6.997 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.654 6.947 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.753 9.202 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.273 8.740 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.001 8.788 -8.041 1.00 0.00 H new ATOM 817 N VAL A 53 -5.477 4.296 -3.928 1.00 0.00 N ATOM 818 CA VAL A 53 -6.597 4.248 -2.998 1.00 0.00 C ATOM 819 C VAL A 53 -7.397 5.549 -3.042 1.00 0.00 C ATOM 820 O VAL A 53 -6.925 6.599 -2.608 1.00 0.00 O ATOM 821 CB VAL A 53 -6.095 3.972 -1.565 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.247 3.884 -0.577 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.272 2.695 -1.535 1.00 0.00 C ATOM 0 H VAL A 53 -4.757 4.976 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.256 3.434 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.465 4.809 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.856 3.689 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.796 4.825 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.916 3.075 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.923 2.511 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.887 1.858 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.414 2.799 -2.200 1.00 0.00 H new ATOM 833 N GLN A 54 -8.608 5.463 -3.588 1.00 0.00 N ATOM 834 CA GLN A 54 -9.491 6.620 -3.721 1.00 0.00 C ATOM 835 C GLN A 54 -10.832 6.367 -3.044 1.00 0.00 C ATOM 836 O GLN A 54 -11.308 5.247 -2.997 1.00 0.00 O ATOM 837 CB GLN A 54 -9.704 6.962 -5.196 1.00 0.00 C ATOM 838 CG GLN A 54 -10.346 8.323 -5.420 1.00 0.00 C ATOM 839 CD GLN A 54 -10.552 8.637 -6.889 1.00 0.00 C ATOM 840 OE1 GLN A 54 -9.877 9.500 -7.451 1.00 0.00 O ATOM 841 NE2 GLN A 54 -11.488 7.936 -7.519 1.00 0.00 N ATOM 0 H GLN A 54 -9.003 4.595 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.013 7.465 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.743 6.934 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.330 6.195 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.307 8.356 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.719 9.094 -4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.024 7.230 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.671 8.103 -8.508 1.00 0.00 H new ATOM 850 N LEU A 55 -11.428 7.413 -2.506 1.00 0.00 N ATOM 851 CA LEU A 55 -12.710 7.298 -1.825 1.00 0.00 C ATOM 852 C LEU A 55 -13.857 7.742 -2.735 1.00 0.00 C ATOM 853 O LEU A 55 -14.001 8.926 -3.040 1.00 0.00 O ATOM 854 CB LEU A 55 -12.692 8.124 -0.542 1.00 0.00 C ATOM 855 CG LEU A 55 -12.774 7.306 0.746 1.00 0.00 C ATOM 856 CD1 LEU A 55 -11.955 7.963 1.845 1.00 0.00 C ATOM 857 CD2 LEU A 55 -14.222 7.134 1.180 1.00 0.00 C ATOM 0 H LEU A 55 -11.045 8.358 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.874 6.251 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.778 8.718 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.527 8.824 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.358 6.317 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.024 7.368 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.913 8.028 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.340 8.965 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.259 6.549 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.668 8.113 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.777 6.617 0.398 1.00 0.00 H new ATOM 869 N VAL A 56 -14.660 6.776 -3.169 1.00 0.00 N ATOM 870 CA VAL A 56 -15.792 7.041 -4.051 1.00 0.00 C ATOM 871 C VAL A 56 -17.129 6.815 -3.348 1.00 0.00 C ATOM 872 O VAL A 56 -17.282 5.884 -2.567 1.00 0.00 O ATOM 873 CB VAL A 56 -15.743 6.191 -5.327 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.591 4.954 -5.150 1.00 0.00 C ATOM 875 CG2 VAL A 56 -16.213 7.000 -6.526 1.00 0.00 C ATOM 0 H VAL A 56 -14.546 5.793 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.711 8.092 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.713 5.886 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.553 4.354 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.211 4.369 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.622 5.245 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.171 6.380 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.238 7.332 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.567 7.868 -6.655 1.00 0.00 H new ATOM 885 N ASP A 57 -18.087 7.674 -3.658 1.00 0.00 N ATOM 886 CA ASP A 57 -19.442 7.610 -3.093 1.00 0.00 C ATOM 887 C ASP A 57 -19.449 7.110 -1.647 1.00 0.00 C ATOM 888 O ASP A 57 -20.134 6.142 -1.317 1.00 0.00 O ATOM 889 CB ASP A 57 -20.346 6.726 -3.959 1.00 0.00 C ATOM 890 CG ASP A 57 -19.788 5.331 -4.164 1.00 0.00 C ATOM 891 OD1 ASP A 57 -19.342 4.715 -3.173 1.00 0.00 O ATOM 892 OD2 ASP A 57 -19.802 4.851 -5.318 1.00 0.00 O ATOM 0 H ASP A 57 -17.953 8.444 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.830 8.629 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -21.329 6.654 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.488 7.201 -4.930 1.00 0.00 H new ATOM 897 N ASN A 58 -18.691 7.785 -0.789 1.00 0.00 N ATOM 898 CA ASN A 58 -18.615 7.421 0.624 1.00 0.00 C ATOM 899 C ASN A 58 -18.090 6.000 0.804 1.00 0.00 C ATOM 900 O ASN A 58 -18.436 5.318 1.768 1.00 0.00 O ATOM 901 CB ASN A 58 -19.989 7.555 1.281 1.00 0.00 C ATOM 902 CG ASN A 58 -19.895 7.840 2.769 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.116 8.967 3.211 1.00 0.00 O ATOM 904 ND2 ASN A 58 -19.568 6.817 3.550 1.00 0.00 N ATOM 0 H ASN A 58 -18.119 8.589 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.917 8.105 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.544 8.357 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.554 6.636 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.492 6.949 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.393 5.899 3.141 1.00 0.00 H new ATOM 911 N VAL A 59 -17.243 5.566 -0.119 1.00 0.00 N ATOM 912 CA VAL A 59 -16.658 4.234 -0.053 1.00 0.00 C ATOM 913 C VAL A 59 -15.148 4.319 -0.213 1.00 0.00 C ATOM 914 O VAL A 59 -14.630 5.264 -0.804 1.00 0.00 O ATOM 915 CB VAL A 59 -17.257 3.283 -1.122 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.208 2.325 -1.673 1.00 0.00 C ATOM 917 CG2 VAL A 59 -18.427 2.506 -0.539 1.00 0.00 C ATOM 0 H VAL A 59 -16.945 6.118 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.897 3.817 0.926 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.612 3.896 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.665 1.675 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.401 2.895 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.806 1.719 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -18.838 1.842 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.084 1.916 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.198 3.202 -0.210 1.00 0.00 H new ATOM 927 N TYR A 60 -14.449 3.330 0.320 1.00 0.00 N ATOM 928 CA TYR A 60 -13.000 3.299 0.237 1.00 0.00 C ATOM 929 C TYR A 60 -12.546 2.440 -0.939 1.00 0.00 C ATOM 930 O TYR A 60 -12.687 1.218 -0.928 1.00 0.00 O ATOM 931 CB TYR A 60 -12.416 2.787 1.547 1.00 0.00 C ATOM 932 CG TYR A 60 -12.970 3.493 2.766 1.00 0.00 C ATOM 933 CD1 TYR A 60 -12.571 4.784 3.090 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.895 2.868 3.590 1.00 0.00 C ATOM 935 CE1 TYR A 60 -13.078 5.430 4.202 1.00 0.00 C ATOM 936 CE2 TYR A 60 -14.407 3.507 4.704 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.995 4.787 5.006 1.00 0.00 C ATOM 938 OH TYR A 60 -14.503 5.425 6.114 1.00 0.00 O ATOM 0 H TYR A 60 -14.862 2.539 0.814 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.634 4.312 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.615 1.719 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.333 2.909 1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.853 5.291 2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -14.221 1.865 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.757 6.434 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -15.126 3.006 5.334 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.137 4.833 6.570 1.00 0.00 H new ATOM 948 N CYS A 61 -12.020 3.105 -1.960 1.00 0.00 N ATOM 949 CA CYS A 61 -11.558 2.437 -3.173 1.00 0.00 C ATOM 950 C CYS A 61 -10.052 2.208 -3.155 1.00 0.00 C ATOM 951 O CYS A 61 -9.283 3.098 -2.804 1.00 0.00 O ATOM 952 CB CYS A 61 -11.928 3.275 -4.401 1.00 0.00 C ATOM 953 SG CYS A 61 -13.601 3.951 -4.355 1.00 0.00 S ATOM 0 H CYS A 61 -11.901 4.118 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.048 1.465 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.218 4.097 -4.494 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.821 2.659 -5.294 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.078 4.012 -5.563 1.00 0.00 H new ATOM 959 N ILE A 62 -9.643 1.012 -3.563 1.00 0.00 N ATOM 960 CA ILE A 62 -8.231 0.655 -3.626 1.00 0.00 C ATOM 961 C ILE A 62 -7.962 -0.181 -4.866 1.00 0.00 C ATOM 962 O ILE A 62 -8.760 -1.047 -5.226 1.00 0.00 O ATOM 963 CB ILE A 62 -7.771 -0.127 -2.380 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.335 0.516 -1.115 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.246 -0.189 -2.316 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.229 -0.372 0.098 1.00 0.00 C ATOM 0 H ILE A 62 -10.275 0.268 -3.857 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.666 1.586 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.150 -1.146 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.806 1.449 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.382 0.772 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.941 -0.745 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.864 -0.689 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.843 0.822 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.647 0.143 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.782 -1.295 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.181 -0.607 0.287 1.00 0.00 H new ATOM 978 N GLY A 63 -6.845 0.086 -5.524 1.00 0.00 N ATOM 979 CA GLY A 63 -6.508 -0.651 -6.727 1.00 0.00 C ATOM 980 C GLY A 63 -7.571 -0.506 -7.803 1.00 0.00 C ATOM 981 O GLY A 63 -7.579 0.477 -8.545 1.00 0.00 O ATOM 0 H GLY A 63 -6.167 0.797 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.552 -0.297 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.382 -1.706 -6.482 1.00 0.00 H new ATOM 985 N GLN A 64 -8.470 -1.485 -7.889 1.00 0.00 N ATOM 986 CA GLN A 64 -9.542 -1.457 -8.885 1.00 0.00 C ATOM 987 C GLN A 64 -10.877 -1.932 -8.301 1.00 0.00 C ATOM 988 O GLN A 64 -11.879 -2.007 -9.013 1.00 0.00 O ATOM 989 CB GLN A 64 -9.166 -2.329 -10.086 1.00 0.00 C ATOM 990 CG GLN A 64 -8.987 -1.546 -11.376 1.00 0.00 C ATOM 991 CD GLN A 64 -8.089 -2.258 -12.367 1.00 0.00 C ATOM 992 OE1 GLN A 64 -6.927 -2.543 -12.076 1.00 0.00 O ATOM 993 NE2 GLN A 64 -8.622 -2.550 -13.547 1.00 0.00 N ATOM 0 H GLN A 64 -8.478 -2.306 -7.283 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.665 -0.422 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.241 -2.861 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.939 -3.083 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.962 -1.375 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.566 -0.567 -11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.589 -2.296 -13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.064 -3.029 -14.254 1.00 0.00 H new ATOM 1002 N ARG A 65 -10.888 -2.256 -7.010 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.098 -2.727 -6.344 1.00 0.00 C ATOM 1004 C ARG A 65 -12.542 -1.742 -5.268 1.00 0.00 C ATOM 1005 O ARG A 65 -11.797 -0.833 -4.902 1.00 0.00 O ATOM 1006 CB ARG A 65 -11.866 -4.111 -5.731 1.00 0.00 C ATOM 1007 CG ARG A 65 -13.079 -5.026 -5.813 1.00 0.00 C ATOM 1008 CD ARG A 65 -12.984 -5.982 -6.993 1.00 0.00 C ATOM 1009 NE ARG A 65 -14.194 -5.961 -7.814 1.00 0.00 N ATOM 1010 CZ ARG A 65 -14.416 -5.082 -8.789 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -13.510 -4.155 -9.078 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -15.547 -5.130 -9.479 1.00 0.00 N ATOM 0 H ARG A 65 -10.070 -2.200 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.890 -2.802 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.027 -4.588 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.581 -3.993 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.168 -5.597 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.983 -4.424 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.124 -5.715 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.812 -6.994 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.911 -6.662 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.637 -4.113 -8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.687 -3.485 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.247 -5.840 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.718 -4.457 -10.226 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.761 -1.920 -4.767 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.299 -1.041 -3.743 1.00 0.00 C ATOM 1028 C ARG A 66 -14.526 -1.812 -2.451 1.00 0.00 C ATOM 1029 O ARG A 66 -15.168 -2.862 -2.440 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.607 -0.430 -4.219 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.562 0.056 -5.659 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.373 0.973 -5.896 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.555 1.816 -7.075 1.00 0.00 N ATOM 1034 CZ ARG A 66 -14.465 1.370 -8.326 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -14.196 0.092 -8.565 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -14.646 2.203 -9.341 1.00 0.00 N ATOM 0 H ARG A 66 -14.393 -2.667 -5.056 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.581 -0.243 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.402 -1.169 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.865 0.406 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.504 -0.799 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.485 0.585 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.222 1.604 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.471 0.373 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.763 2.804 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.057 -0.554 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.128 -0.244 -9.526 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.854 3.186 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.577 1.861 -10.300 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.961 -1.291 -1.373 1.00 0.00 N ATOM 1051 CA PHE A 67 -14.057 -1.929 -0.065 1.00 0.00 C ATOM 1052 C PHE A 67 -14.321 -0.917 1.044 1.00 0.00 C ATOM 1053 O PHE A 67 -14.073 0.276 0.881 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.783 -2.716 0.225 1.00 0.00 C ATOM 1055 CG PHE A 67 -12.678 -3.975 -0.586 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -13.624 -4.979 -0.454 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -11.635 -4.156 -1.481 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -13.533 -6.140 -1.199 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -11.538 -5.315 -2.228 1.00 0.00 C ATOM 1060 CZ PHE A 67 -12.488 -6.308 -2.087 1.00 0.00 C ATOM 0 H PHE A 67 -13.427 -0.422 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.906 -2.612 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.918 -2.085 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.751 -2.969 1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.442 -4.853 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.890 -3.383 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.278 -6.914 -1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.720 -5.444 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.414 -7.214 -2.670 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.819 -1.406 2.176 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.107 -0.551 3.321 1.00 0.00 C ATOM 1072 C HIS A 68 -13.866 -0.382 4.202 1.00 0.00 C ATOM 1073 O HIS A 68 -13.949 -0.450 5.428 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.258 -1.138 4.142 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.669 -0.281 5.299 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -17.004 -0.794 6.535 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -16.797 1.063 5.404 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -17.321 0.197 7.349 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -17.203 1.333 6.688 1.00 0.00 N ATOM 0 H HIS A 68 -15.032 -2.393 2.324 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.399 0.431 2.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -17.118 -1.289 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.964 -2.119 4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.614 1.787 4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.625 0.095 8.380 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.384 2.262 7.069 1.00 0.00 H new ATOM 1088 N THR A 69 -12.714 -0.160 3.567 1.00 0.00 N ATOM 1089 CA THR A 69 -11.457 0.022 4.291 1.00 0.00 C ATOM 1090 C THR A 69 -10.491 0.905 3.493 1.00 0.00 C ATOM 1091 O THR A 69 -10.594 0.995 2.271 1.00 0.00 O ATOM 1092 CB THR A 69 -10.828 -1.345 4.584 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.963 -1.269 5.703 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.034 -1.916 3.425 1.00 0.00 C ATOM 0 H THR A 69 -12.627 -0.102 2.552 1.00 0.00 H new ATOM 0 HA THR A 69 -11.664 0.526 5.235 1.00 0.00 H new ATOM 0 HB THR A 69 -11.672 -2.008 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.071 -2.071 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.620 -2.884 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.688 -2.040 2.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.222 -1.235 3.170 1.00 0.00 H new ATOM 1102 N MET A 70 -9.548 1.551 4.186 1.00 0.00 N ATOM 1103 CA MET A 70 -8.575 2.422 3.530 1.00 0.00 C ATOM 1104 C MET A 70 -7.742 3.179 4.561 1.00 0.00 C ATOM 1105 O MET A 70 -8.280 3.848 5.442 1.00 0.00 O ATOM 1106 CB MET A 70 -9.287 3.410 2.590 1.00 0.00 C ATOM 1107 CG MET A 70 -8.525 4.708 2.334 1.00 0.00 C ATOM 1108 SD MET A 70 -9.507 5.939 1.451 1.00 0.00 S ATOM 1109 CE MET A 70 -9.925 5.055 -0.050 1.00 0.00 C ATOM 0 H MET A 70 -9.440 1.486 5.198 1.00 0.00 H new ATOM 0 HA MET A 70 -7.904 1.798 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.468 2.916 1.635 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.262 3.654 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.200 5.126 3.287 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.626 4.488 1.759 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.972 5.230 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.297 5.409 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.760 3.988 0.098 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.423 3.067 4.427 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.472 3.735 5.321 1.00 0.00 C ATOM 1121 C ASP A 71 -5.218 2.912 6.579 1.00 0.00 C ATOM 1122 O ASP A 71 -4.110 2.914 7.118 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.968 5.133 5.695 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.832 6.110 5.925 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.744 5.904 5.346 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -5.031 7.084 6.682 1.00 0.00 O ATOM 0 H ASP A 71 -5.980 2.511 3.696 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.529 3.830 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.613 5.511 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.577 5.070 6.597 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.236 2.192 7.032 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.105 1.348 8.210 1.00 0.00 C ATOM 1133 C GLU A 72 -5.889 -0.097 7.785 1.00 0.00 C ATOM 1134 O GLU A 72 -5.425 -0.929 8.563 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.353 1.457 9.089 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.045 1.501 10.576 1.00 0.00 C ATOM 1137 CD GLU A 72 -6.291 2.753 10.977 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -6.925 3.825 11.067 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -5.065 2.661 11.201 1.00 0.00 O ATOM 0 H GLU A 72 -7.160 2.176 6.601 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.245 1.684 8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.904 2.356 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.006 0.608 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.977 1.447 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.457 0.624 10.848 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.233 -0.382 6.534 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.085 -1.716 5.978 1.00 0.00 C ATOM 1148 C LEU A 73 -4.638 -2.048 5.669 1.00 0.00 C ATOM 1149 O LEU A 73 -4.308 -3.195 5.387 1.00 0.00 O ATOM 1150 CB LEU A 73 -6.931 -1.863 4.708 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.701 -0.823 3.580 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.454 0.031 3.788 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.597 -1.524 2.243 1.00 0.00 C ATOM 0 H LEU A 73 -6.619 0.302 5.883 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.435 -2.419 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.751 -2.855 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.982 -1.823 4.995 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.561 -0.154 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.354 0.736 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.541 0.580 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.575 -0.612 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.436 -0.786 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.760 -2.222 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.520 -2.069 2.045 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.777 -1.052 5.723 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.374 -1.270 5.450 1.00 0.00 C ATOM 1167 C VAL A 74 -1.672 -1.783 6.696 1.00 0.00 C ATOM 1168 O VAL A 74 -0.513 -2.191 6.652 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.670 0.008 4.968 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.600 -0.350 3.955 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.646 1.007 4.356 1.00 0.00 C ATOM 0 H VAL A 74 -4.024 -0.089 5.952 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.316 -2.010 4.652 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.218 0.483 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.102 0.558 3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.131 -1.013 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.059 -0.853 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.102 1.894 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.144 0.552 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.390 1.291 5.100 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.390 -1.762 7.809 1.00 0.00 N ATOM 1182 CA GLU A 75 -1.845 -2.231 9.077 1.00 0.00 C ATOM 1183 C GLU A 75 -2.120 -3.723 9.266 1.00 0.00 C ATOM 1184 O GLU A 75 -1.437 -4.398 10.035 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.427 -1.425 10.244 1.00 0.00 C ATOM 1186 CG GLU A 75 -3.859 -1.795 10.601 1.00 0.00 C ATOM 1187 CD GLU A 75 -3.971 -2.418 11.979 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -3.035 -3.141 12.380 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -4.993 -2.181 12.657 1.00 0.00 O ATOM 0 H GLU A 75 -3.351 -1.425 7.861 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.765 -2.082 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.796 -1.569 11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.388 -0.365 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.483 -0.902 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.247 -2.492 9.858 1.00 0.00 H new ATOM 1196 N HIS A 76 -3.123 -4.229 8.552 1.00 0.00 N ATOM 1197 CA HIS A 76 -3.489 -5.639 8.630 1.00 0.00 C ATOM 1198 C HIS A 76 -3.989 -6.147 7.278 1.00 0.00 C ATOM 1199 O HIS A 76 -4.717 -7.138 7.211 1.00 0.00 O ATOM 1200 CB HIS A 76 -4.566 -5.847 9.696 1.00 0.00 C ATOM 1201 CG HIS A 76 -4.017 -6.209 11.041 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -4.184 -5.627 12.253 1.00 0.00 N flip ATOM 1203 CD2 HIS A 76 -3.189 -7.291 11.249 1.00 0.00 C flip ATOM 1204 CE1 HIS A 76 -3.462 -6.362 13.160 1.00 0.00 C flip ATOM 1205 NE2 HIS A 76 -2.871 -7.361 12.530 1.00 0.00 N flip ATOM 0 H HIS A 76 -3.697 -3.681 7.912 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.600 -6.207 8.905 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.156 -4.935 9.787 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.245 -6.634 9.366 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.852 -7.975 10.484 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -3.389 -6.157 14.218 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.272 -8.066 12.959 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.590 -5.459 6.206 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.981 -5.820 4.848 1.00 0.00 C ATOM 1216 C TYR A 77 -5.427 -6.312 4.778 1.00 0.00 C ATOM 1217 O TYR A 77 -5.686 -7.458 4.411 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.028 -6.872 4.282 1.00 0.00 C ATOM 1219 CG TYR A 77 -2.493 -7.844 5.311 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.265 -8.912 5.750 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -1.217 -7.695 5.839 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.780 -9.803 6.689 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -0.725 -8.583 6.777 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.510 -9.635 7.198 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.024 -10.521 8.132 1.00 0.00 O ATOM 0 H TYR A 77 -2.988 -4.638 6.258 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.917 -4.918 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.545 -7.433 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.188 -6.366 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.260 -9.048 5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.599 -6.872 5.511 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.393 -10.627 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.269 -8.453 7.178 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.114 -10.261 8.387 1.00 0.00 H new ATOM 1235 N LYS A 78 -6.364 -5.430 5.123 1.00 0.00 N ATOM 1236 CA LYS A 78 -7.784 -5.767 5.086 1.00 0.00 C ATOM 1237 C LYS A 78 -8.208 -6.079 3.648 1.00 0.00 C ATOM 1238 O LYS A 78 -7.496 -6.787 2.937 1.00 0.00 O ATOM 1239 CB LYS A 78 -8.615 -4.619 5.666 1.00 0.00 C ATOM 1240 CG LYS A 78 -8.154 -4.169 7.042 1.00 0.00 C ATOM 1241 CD LYS A 78 -8.847 -4.955 8.144 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.157 -4.077 9.346 1.00 0.00 C ATOM 1243 NZ LYS A 78 -8.920 -4.793 10.631 1.00 0.00 N ATOM 0 H LYS A 78 -6.165 -4.478 5.431 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.959 -6.653 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.574 -3.771 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.658 -4.930 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.075 -4.297 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.360 -3.106 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.771 -5.385 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.213 -5.786 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.538 -3.180 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.196 -3.750 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.143 -4.161 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.529 -5.635 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.923 -5.083 10.688 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.353 -5.555 3.205 1.00 0.00 N ATOM 1258 CA LYS A 79 -9.803 -5.808 1.843 1.00 0.00 C ATOM 1259 C LYS A 79 -8.997 -4.974 0.853 1.00 0.00 C ATOM 1260 O LYS A 79 -9.528 -4.107 0.161 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.287 -5.499 1.704 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.164 -6.345 2.606 1.00 0.00 C ATOM 1263 CD LYS A 79 -12.076 -7.820 2.252 1.00 0.00 C ATOM 1264 CE LYS A 79 -12.751 -8.682 3.305 1.00 0.00 C ATOM 1265 NZ LYS A 79 -12.332 -8.302 4.683 1.00 0.00 N ATOM 0 H LYS A 79 -9.972 -4.965 3.760 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.646 -6.863 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.454 -4.446 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.588 -5.654 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.864 -6.201 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.199 -6.012 2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.545 -7.992 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.030 -8.111 2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.833 -8.586 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.508 -9.730 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.349 -9.142 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.368 -7.912 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.985 -7.586 5.059 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.705 -5.260 0.796 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.783 -4.573 -0.096 1.00 0.00 C ATOM 1281 C ALA A 80 -6.412 -5.460 -1.276 1.00 0.00 C ATOM 1282 O ALA A 80 -6.462 -6.686 -1.171 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.536 -4.125 0.649 1.00 0.00 C ATOM 0 H ALA A 80 -7.264 -5.979 1.370 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.286 -3.685 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.864 -3.614 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.817 -3.444 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.032 -4.995 1.070 1.00 0.00 H new ATOM 1289 N PRO A 81 -6.012 -4.861 -2.412 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.595 -5.605 -3.614 1.00 0.00 C ATOM 1291 C PRO A 81 -4.465 -6.593 -3.330 1.00 0.00 C ATOM 1292 O PRO A 81 -3.832 -7.102 -4.254 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.073 -4.510 -4.553 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.820 -3.346 -3.661 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.888 -3.416 -2.614 1.00 0.00 C ATOM 0 HA PRO A 81 -6.418 -6.196 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.163 -4.825 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.803 -4.267 -5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.827 -3.400 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.871 -2.408 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.599 -2.898 -1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.823 -2.968 -2.952 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.210 -6.857 -2.053 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.168 -7.763 -1.660 1.00 0.00 C ATOM 1305 C ILE A 82 -3.432 -9.143 -2.230 1.00 0.00 C ATOM 1306 O ILE A 82 -4.568 -9.619 -2.232 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.047 -7.872 -0.136 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -3.195 -6.516 0.561 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -1.717 -8.487 0.174 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.283 -5.431 0.034 1.00 0.00 C ATOM 0 H ILE A 82 -4.724 -6.445 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.233 -7.364 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.858 -8.494 0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.228 -6.183 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.003 -6.647 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.601 -8.578 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.658 -9.475 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.923 -7.856 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.458 -4.508 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.244 -5.737 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.488 -5.265 -1.024 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.388 -9.768 -2.748 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.541 -11.087 -3.363 1.00 0.00 C ATOM 1324 C PHE A 83 -1.352 -12.013 -3.124 1.00 0.00 C ATOM 1325 O PHE A 83 -0.222 -11.566 -2.922 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.772 -10.934 -4.867 1.00 0.00 C ATOM 1327 CG PHE A 83 -3.788 -11.892 -5.420 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -5.133 -11.558 -5.443 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -3.399 -13.126 -5.917 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -6.070 -12.437 -5.952 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -4.332 -14.008 -6.428 1.00 0.00 C ATOM 1332 CZ PHE A 83 -5.669 -13.664 -6.445 1.00 0.00 C ATOM 0 H PHE A 83 -1.438 -9.396 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.403 -11.551 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.096 -9.914 -5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.826 -11.080 -5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.452 -10.600 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.355 -13.401 -5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -7.115 -12.165 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.016 -14.966 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.400 -14.352 -6.843 1.00 0.00 H new ATOM 1342 N THR A 84 -1.626 -13.316 -3.194 1.00 0.00 N ATOM 1343 CA THR A 84 -0.601 -14.342 -3.037 1.00 0.00 C ATOM 1344 C THR A 84 -0.734 -15.380 -4.152 1.00 0.00 C ATOM 1345 O THR A 84 -1.730 -16.099 -4.223 1.00 0.00 O ATOM 1346 CB THR A 84 -0.708 -15.023 -1.674 1.00 0.00 C ATOM 1347 OG1 THR A 84 -0.584 -14.077 -0.627 1.00 0.00 O ATOM 1348 CG2 THR A 84 0.350 -16.087 -1.463 1.00 0.00 C ATOM 0 H THR A 84 -2.562 -13.686 -3.361 1.00 0.00 H new ATOM 0 HA THR A 84 0.376 -13.863 -3.100 1.00 0.00 H new ATOM 0 HB THR A 84 -1.690 -15.495 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.657 -14.534 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.224 -16.535 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.249 -16.857 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.339 -15.635 -1.532 1.00 0.00 H new ATOM 1356 N SER A 85 0.262 -15.441 -5.028 1.00 0.00 N ATOM 1357 CA SER A 85 0.240 -16.377 -6.148 1.00 0.00 C ATOM 1358 C SER A 85 0.806 -17.740 -5.760 1.00 0.00 C ATOM 1359 O SER A 85 2.023 -17.904 -5.619 1.00 0.00 O ATOM 1360 CB SER A 85 1.025 -15.807 -7.330 1.00 0.00 C ATOM 1361 OG SER A 85 0.367 -16.074 -8.556 1.00 0.00 O ATOM 0 H SER A 85 1.095 -14.854 -4.985 1.00 0.00 H new ATOM 0 HA SER A 85 -0.802 -16.517 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.146 -14.731 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.025 -16.240 -7.349 1.00 0.00 H new ATOM 0 HG SER A 85 0.888 -15.698 -9.296 1.00 0.00 H new ATOM 1367 N GLU A 86 -0.097 -18.713 -5.609 1.00 0.00 N ATOM 1368 CA GLU A 86 0.264 -20.088 -5.258 1.00 0.00 C ATOM 1369 C GLU A 86 1.369 -20.144 -4.205 1.00 0.00 C ATOM 1370 O GLU A 86 2.433 -20.720 -4.436 1.00 0.00 O ATOM 1371 CB GLU A 86 0.692 -20.853 -6.513 1.00 0.00 C ATOM 1372 CG GLU A 86 0.075 -22.238 -6.618 1.00 0.00 C ATOM 1373 CD GLU A 86 0.822 -23.274 -5.800 1.00 0.00 C ATOM 1374 OE1 GLU A 86 1.334 -22.919 -4.718 1.00 0.00 O ATOM 1375 OE2 GLU A 86 0.893 -24.440 -6.241 1.00 0.00 O ATOM 0 H GLU A 86 -1.100 -18.569 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.619 -20.558 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.416 -20.273 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.778 -20.946 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.962 -22.196 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.061 -22.547 -7.663 1.00 0.00 H new ATOM 1382 N HIS A 87 1.110 -19.547 -3.044 1.00 0.00 N ATOM 1383 CA HIS A 87 2.083 -19.534 -1.954 1.00 0.00 C ATOM 1384 C HIS A 87 3.477 -19.173 -2.462 1.00 0.00 C ATOM 1385 O HIS A 87 4.485 -19.558 -1.870 1.00 0.00 O ATOM 1386 CB HIS A 87 2.119 -20.898 -1.261 1.00 0.00 C ATOM 1387 CG HIS A 87 2.881 -20.895 0.028 1.00 0.00 C ATOM 1388 ND1 HIS A 87 2.771 -19.889 0.966 1.00 0.00 N ATOM 1389 CD2 HIS A 87 3.768 -21.784 0.536 1.00 0.00 C ATOM 1390 CE1 HIS A 87 3.558 -20.159 1.992 1.00 0.00 C ATOM 1391 NE2 HIS A 87 4.173 -21.302 1.756 1.00 0.00 N ATOM 0 H HIS A 87 0.235 -19.066 -2.834 1.00 0.00 H new ATOM 0 HA HIS A 87 1.773 -18.774 -1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.097 -21.226 -1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.566 -21.628 -1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.095 -22.701 0.068 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.678 -19.548 2.874 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.842 -21.755 2.379 1.00 0.00 H new ATOM 1400 N GLY A 88 3.524 -18.429 -3.563 1.00 0.00 N ATOM 1401 CA GLY A 88 4.791 -18.022 -4.136 1.00 0.00 C ATOM 1402 C GLY A 88 4.931 -16.518 -4.170 1.00 0.00 C ATOM 1403 O GLY A 88 5.565 -15.928 -3.296 1.00 0.00 O ATOM 0 H GLY A 88 2.702 -18.100 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.608 -18.451 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.877 -18.419 -5.148 1.00 0.00 H new ATOM 1407 N GLU A 89 4.322 -15.891 -5.170 1.00 0.00 N ATOM 1408 CA GLU A 89 4.373 -14.443 -5.287 1.00 0.00 C ATOM 1409 C GLU A 89 3.501 -13.814 -4.222 1.00 0.00 C ATOM 1410 O GLU A 89 2.336 -14.169 -4.074 1.00 0.00 O ATOM 1411 CB GLU A 89 3.933 -14.001 -6.677 1.00 0.00 C ATOM 1412 CG GLU A 89 5.096 -13.916 -7.638 1.00 0.00 C ATOM 1413 CD GLU A 89 4.921 -14.800 -8.857 1.00 0.00 C ATOM 1414 OE1 GLU A 89 4.189 -15.808 -8.760 1.00 0.00 O ATOM 1415 OE2 GLU A 89 5.517 -14.486 -9.909 1.00 0.00 O ATOM 0 H GLU A 89 3.792 -16.360 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 89 5.401 -14.111 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.194 -14.703 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.445 -13.028 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.219 -12.882 -7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.011 -14.199 -7.118 1.00 0.00 H new ATOM 1422 N LYS A 90 4.075 -12.910 -3.450 1.00 0.00 N ATOM 1423 CA LYS A 90 3.325 -12.286 -2.370 1.00 0.00 C ATOM 1424 C LYS A 90 3.330 -10.762 -2.414 1.00 0.00 C ATOM 1425 O LYS A 90 4.382 -10.123 -2.404 1.00 0.00 O ATOM 1426 CB LYS A 90 3.862 -12.754 -1.019 1.00 0.00 C ATOM 1427 CG LYS A 90 3.612 -14.228 -0.741 1.00 0.00 C ATOM 1428 CD LYS A 90 4.752 -14.845 0.054 1.00 0.00 C ATOM 1429 CE LYS A 90 4.363 -16.196 0.634 1.00 0.00 C ATOM 1430 NZ LYS A 90 4.736 -16.313 2.072 1.00 0.00 N ATOM 0 H LYS A 90 5.040 -12.594 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 90 2.290 -12.600 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.934 -12.562 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.401 -12.161 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.679 -14.342 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.493 -14.762 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.624 -14.962 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.040 -14.171 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.288 -16.342 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.851 -16.988 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.454 -17.248 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.765 -16.200 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.250 -15.573 2.618 1.00 0.00 H new ATOM 1444 N LEU A 91 2.128 -10.201 -2.380 1.00 0.00 N ATOM 1445 CA LEU A 91 1.933 -8.758 -2.327 1.00 0.00 C ATOM 1446 C LEU A 91 1.256 -8.461 -1.020 1.00 0.00 C ATOM 1447 O LEU A 91 0.272 -9.120 -0.701 1.00 0.00 O ATOM 1448 CB LEU A 91 1.041 -8.238 -3.458 1.00 0.00 C ATOM 1449 CG LEU A 91 1.070 -9.052 -4.734 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.086 -8.467 -5.721 1.00 0.00 C ATOM 1451 CD2 LEU A 91 2.473 -9.072 -5.310 1.00 0.00 C ATOM 0 H LEU A 91 1.259 -10.735 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 91 2.902 -8.270 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.013 -8.196 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.339 -7.216 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 91 0.782 -10.081 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.104 -9.050 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.917 -8.493 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.360 -7.435 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.481 -9.660 -6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.791 -8.053 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.157 -9.517 -4.587 1.00 0.00 H new ATOM 1463 N TYR A 92 1.775 -7.497 -0.270 1.00 0.00 N ATOM 1464 CA TYR A 92 1.193 -7.142 1.017 1.00 0.00 C ATOM 1465 C TYR A 92 1.320 -5.651 1.280 1.00 0.00 C ATOM 1466 O TYR A 92 1.993 -4.935 0.544 1.00 0.00 O ATOM 1467 CB TYR A 92 1.860 -7.937 2.141 1.00 0.00 C ATOM 1468 CG TYR A 92 1.083 -9.165 2.555 1.00 0.00 C ATOM 1469 CD1 TYR A 92 -0.132 -9.053 3.219 1.00 0.00 C ATOM 1470 CD2 TYR A 92 1.566 -10.438 2.281 1.00 0.00 C ATOM 1471 CE1 TYR A 92 -0.843 -10.175 3.599 1.00 0.00 C ATOM 1472 CE2 TYR A 92 0.861 -11.565 2.656 1.00 0.00 C ATOM 1473 CZ TYR A 92 -0.343 -11.428 3.315 1.00 0.00 C ATOM 1474 OH TYR A 92 -1.049 -12.549 3.688 1.00 0.00 O ATOM 0 H TYR A 92 2.595 -6.949 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 92 0.133 -7.393 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.857 -8.239 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.988 -7.288 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.527 -8.073 3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.509 -10.549 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.786 -10.071 4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.250 -12.548 2.435 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.558 -13.351 3.412 1.00 0.00 H new ATOM 1484 N LEU A 93 0.653 -5.192 2.327 1.00 0.00 N ATOM 1485 CA LEU A 93 0.671 -3.786 2.693 1.00 0.00 C ATOM 1486 C LEU A 93 1.457 -3.567 3.986 1.00 0.00 C ATOM 1487 O LEU A 93 0.925 -3.051 4.966 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.766 -3.289 2.853 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.463 -2.873 1.556 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.937 -2.600 1.802 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.806 -1.656 0.923 1.00 0.00 C ATOM 0 H LEU A 93 0.089 -5.778 2.942 1.00 0.00 H new ATOM 0 HA LEU A 93 1.166 -3.221 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.354 -4.075 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.765 -2.438 3.534 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.366 -3.705 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.414 -2.306 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.415 -3.502 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.041 -1.796 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.332 -1.395 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.849 -0.817 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.235 -1.883 0.693 1.00 0.00 H new ATOM 1503 N VAL A 94 2.729 -3.959 3.983 1.00 0.00 N ATOM 1504 CA VAL A 94 3.579 -3.799 5.154 1.00 0.00 C ATOM 1505 C VAL A 94 4.182 -2.389 5.194 1.00 0.00 C ATOM 1506 O VAL A 94 3.446 -1.404 5.151 1.00 0.00 O ATOM 1507 CB VAL A 94 4.680 -4.891 5.214 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.632 -4.801 4.029 1.00 0.00 C ATOM 1509 CG2 VAL A 94 5.436 -4.824 6.536 1.00 0.00 C ATOM 0 H VAL A 94 3.191 -4.389 3.182 1.00 0.00 H new ATOM 0 HA VAL A 94 2.957 -3.926 6.040 1.00 0.00 H new ATOM 0 HB VAL A 94 4.185 -5.860 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.387 -5.583 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.073 -4.930 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.118 -3.825 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.203 -5.598 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.906 -3.846 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.741 -4.980 7.361 1.00 0.00 H new ATOM 1519 N ARG A 95 5.504 -2.283 5.281 1.00 0.00 N ATOM 1520 CA ARG A 95 6.160 -0.983 5.333 1.00 0.00 C ATOM 1521 C ARG A 95 7.642 -1.089 5.034 1.00 0.00 C ATOM 1522 O ARG A 95 8.186 -2.176 4.836 1.00 0.00 O ATOM 1523 CB ARG A 95 5.986 -0.304 6.688 1.00 0.00 C ATOM 1524 CG ARG A 95 4.720 0.529 6.796 1.00 0.00 C ATOM 1525 CD ARG A 95 3.631 -0.205 7.563 1.00 0.00 C ATOM 1526 NE ARG A 95 3.663 0.109 8.989 1.00 0.00 N ATOM 1527 CZ ARG A 95 3.176 1.233 9.511 1.00 0.00 C ATOM 1528 NH1 ARG A 95 2.621 2.150 8.728 1.00 0.00 N ATOM 1529 NH2 ARG A 95 3.246 1.441 10.818 1.00 0.00 N ATOM 0 H ARG A 95 6.140 -3.080 5.317 1.00 0.00 H new ATOM 0 HA ARG A 95 5.676 -0.378 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.977 -1.066 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.848 0.335 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.945 1.471 7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.360 0.775 5.797 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.656 0.062 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.751 -1.280 7.425 1.00 0.00 H new ATOM 0 HE ARG A 95 4.083 -0.572 9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.566 1.995 7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.249 3.009 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.673 0.740 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.873 2.302 11.218 1.00 0.00 H new ATOM 1543 N ALA A 96 8.278 0.068 5.001 1.00 0.00 N ATOM 1544 CA ALA A 96 9.695 0.170 4.724 1.00 0.00 C ATOM 1545 C ALA A 96 10.522 -0.269 5.929 1.00 0.00 C ATOM 1546 O ALA A 96 10.813 0.530 6.820 1.00 0.00 O ATOM 1547 CB ALA A 96 10.017 1.609 4.385 1.00 0.00 C ATOM 0 H ALA A 96 7.822 0.965 5.167 1.00 0.00 H new ATOM 0 HA ALA A 96 9.943 -0.485 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.082 1.703 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.445 1.913 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.757 2.249 5.228 1.00 0.00 H new ATOM 1553 N LEU A 97 10.899 -1.544 5.948 1.00 0.00 N ATOM 1554 CA LEU A 97 11.694 -2.092 7.041 1.00 0.00 C ATOM 1555 C LEU A 97 12.971 -2.738 6.512 1.00 0.00 C ATOM 1556 O LEU A 97 13.069 -3.962 6.424 1.00 0.00 O ATOM 1557 CB LEU A 97 10.877 -3.120 7.829 1.00 0.00 C ATOM 1558 CG LEU A 97 9.630 -2.563 8.519 1.00 0.00 C ATOM 1559 CD1 LEU A 97 8.475 -3.546 8.410 1.00 0.00 C ATOM 1560 CD2 LEU A 97 9.927 -2.245 9.978 1.00 0.00 C ATOM 0 H LEU A 97 10.666 -2.217 5.218 1.00 0.00 H new ATOM 0 HA LEU A 97 11.970 -1.272 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.573 -3.917 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.520 -3.572 8.584 1.00 0.00 H new ATOM 0 HG LEU A 97 9.341 -1.639 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.597 -3.132 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.247 -3.725 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.752 -4.487 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.030 -1.850 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.240 -3.154 10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.724 -1.503 10.034 1.00 0.00 H new ATOM 1572 N GLN A 98 13.946 -1.907 6.159 1.00 0.00 N ATOM 1573 CA GLN A 98 15.218 -2.396 5.637 1.00 0.00 C ATOM 1574 C GLN A 98 15.014 -3.141 4.322 1.00 0.00 C ATOM 1575 O GLN A 98 15.344 -2.569 3.262 1.00 0.00 O ATOM 1576 CB GLN A 98 15.894 -3.315 6.656 1.00 0.00 C ATOM 1577 CG GLN A 98 16.116 -2.662 8.010 1.00 0.00 C ATOM 1578 CD GLN A 98 17.231 -1.635 7.986 1.00 0.00 C ATOM 1579 OE1 GLN A 98 18.354 -1.911 8.410 1.00 0.00 O ATOM 1580 NE2 GLN A 98 16.927 -0.442 7.488 1.00 0.00 N ATOM 1581 OXT GLN A 98 14.526 -4.290 4.363 1.00 0.00 O ATOM 0 H GLN A 98 13.880 -0.891 6.225 1.00 0.00 H new ATOM 0 HA GLN A 98 15.861 -1.535 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.284 -4.208 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.855 -3.641 6.257 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.192 -2.182 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.351 -3.431 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.983 -0.257 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.637 0.289 7.446 1.00 0.00 H new