USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 687 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 83 HIS : no HD1:sc= -2.61! K(o=-0.94!,f=-1.8) USER MOD Set 1.2: A 87 SER OG : rot 47:sc= 1.27 USER MOD Set 1.3: A 98 ASN : amide:sc= 1.03 K(o=-0.94,f=-7.6!) USER MOD Set 1.4: A 100 THR OG1 : rot -60:sc= -0.628! USER MOD Set 2.1: A 71 SER OG : rot 180:sc= -0.428 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0947 USER MOD Set 3.1: A 62 TYR OH : rot 180:sc= -1.57! USER MOD Set 3.2: A 79 HIS : no HD1:sc= -1.49 X(o=-3.1,f=-3.3) USER MOD Single : A 8 THR OG1 : rot 56:sc= 0.987 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.211 F(o=-0.85!,f=-0.21) USER MOD Single : A 32 SER OG : rot 36:sc= 0.198 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot -129:sc=-0.000684 USER MOD Single : A 47 SER OG : rot -27:sc= 1.32 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc=-0.00262 (180deg=-0.112) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.0897 (180deg=-0.39) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0459 F(o=-1.3!,f=-0.046) USER MOD Single : A 59 GLN : amide:sc=-0.00265 K(o=-0.0026,f=-0.95) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.16 (180deg=-0.731) USER MOD Single : A 68 SER OG : rot 180:sc= -0.393 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -160:sc= -0.139 (180deg=-0.619) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.336 13.325 -3.385 1.00 0.00 N ATOM 121 CA THR A 8 1.273 11.908 -3.687 1.00 0.00 C ATOM 122 C THR A 8 0.717 11.099 -2.507 1.00 0.00 C ATOM 123 O THR A 8 0.210 11.671 -1.536 1.00 0.00 O ATOM 124 CB THR A 8 2.661 11.383 -4.107 1.00 0.00 C ATOM 125 OG1 THR A 8 3.689 11.993 -3.315 1.00 0.00 O ATOM 126 CG2 THR A 8 2.916 11.671 -5.579 1.00 0.00 C ATOM 0 HA THR A 8 0.584 11.778 -4.522 1.00 0.00 H new ATOM 0 HB THR A 8 2.678 10.305 -3.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.502 11.844 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.900 11.294 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.154 11.179 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.877 12.747 -5.751 1.00 0.00 H new ATOM 134 N VAL A 9 0.814 9.771 -2.601 1.00 0.00 N ATOM 135 CA VAL A 9 0.201 8.861 -1.633 1.00 0.00 C ATOM 136 C VAL A 9 0.686 9.100 -0.203 1.00 0.00 C ATOM 137 O VAL A 9 -0.126 9.208 0.719 1.00 0.00 O ATOM 138 CB VAL A 9 0.477 7.386 -2.000 1.00 0.00 C ATOM 139 CG1 VAL A 9 -0.158 6.442 -0.991 1.00 0.00 C ATOM 140 CG2 VAL A 9 -0.026 7.077 -3.398 1.00 0.00 C ATOM 0 H VAL A 9 1.319 9.297 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.868 9.067 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 9 1.556 7.234 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.053 5.411 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.254 6.637 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.236 6.600 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.179 6.033 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.100 7.256 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.482 7.719 -4.118 1.00 0.00 H new ATOM 150 N GLU A 10 2.002 9.187 -0.013 1.00 0.00 N ATOM 151 CA GLU A 10 2.563 9.243 1.333 1.00 0.00 C ATOM 152 C GLU A 10 2.069 10.486 2.072 1.00 0.00 C ATOM 153 O GLU A 10 1.837 10.447 3.278 1.00 0.00 O ATOM 154 CB GLU A 10 4.103 9.193 1.311 1.00 0.00 C ATOM 155 CG GLU A 10 4.796 10.532 1.069 1.00 0.00 C ATOM 156 CD GLU A 10 4.725 11.008 -0.366 1.00 0.00 C ATOM 157 OE1 GLU A 10 3.659 11.506 -0.781 1.00 0.00 O ATOM 158 OE2 GLU A 10 5.749 10.912 -1.075 1.00 0.00 O ATOM 0 H GLU A 10 2.691 9.220 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 10 2.216 8.361 1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.451 8.789 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.416 8.495 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.345 11.286 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.842 10.447 1.362 1.00 0.00 H new ATOM 165 N GLN A 11 1.885 11.570 1.331 1.00 0.00 N ATOM 166 CA GLN A 11 1.396 12.821 1.890 1.00 0.00 C ATOM 167 C GLN A 11 -0.044 12.677 2.366 1.00 0.00 C ATOM 168 O GLN A 11 -0.398 13.143 3.451 1.00 0.00 O ATOM 169 CB GLN A 11 1.487 13.927 0.840 1.00 0.00 C ATOM 170 CG GLN A 11 1.081 15.300 1.345 1.00 0.00 C ATOM 171 CD GLN A 11 1.133 16.348 0.253 1.00 0.00 C ATOM 172 OE1 GLN A 11 2.161 16.988 0.037 1.00 0.00 O ATOM 173 NE2 GLN A 11 0.022 16.542 -0.439 1.00 0.00 N ATOM 0 H GLN A 11 2.070 11.606 0.329 1.00 0.00 H new ATOM 0 HA GLN A 11 2.017 13.081 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.511 13.977 0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.854 13.662 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.071 15.252 1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.740 15.595 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.811 15.992 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.001 17.242 -1.181 1.00 0.00 H new ATOM 182 N TRP A 12 -0.860 12.013 1.556 1.00 0.00 N ATOM 183 CA TRP A 12 -2.278 11.861 1.849 1.00 0.00 C ATOM 184 C TRP A 12 -2.475 11.013 3.101 1.00 0.00 C ATOM 185 O TRP A 12 -3.176 11.411 4.033 1.00 0.00 O ATOM 186 CB TRP A 12 -2.989 11.215 0.659 1.00 0.00 C ATOM 187 CG TRP A 12 -4.472 11.440 0.655 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.130 12.511 0.123 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.481 10.579 1.199 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.482 12.371 0.303 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.724 11.195 0.960 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.457 9.347 1.862 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.927 10.624 1.362 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -6.654 8.782 2.262 1.00 0.00 C ATOM 195 CH2 TRP A 12 -7.875 9.421 2.009 1.00 0.00 C ATOM 0 H TRP A 12 -0.561 11.570 0.687 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.707 12.847 2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.567 11.610 -0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.792 10.143 0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.655 13.347 -0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.192 13.036 -0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.520 8.846 2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.870 11.114 1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.648 7.833 2.778 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.794 8.954 2.332 1.00 0.00 H new ATOM 206 N LEU A 13 -1.833 9.852 3.123 1.00 0.00 N ATOM 207 CA LEU A 13 -1.935 8.941 4.258 1.00 0.00 C ATOM 208 C LEU A 13 -1.350 9.572 5.517 1.00 0.00 C ATOM 209 O LEU A 13 -1.962 9.526 6.582 1.00 0.00 O ATOM 210 CB LEU A 13 -1.228 7.614 3.959 1.00 0.00 C ATOM 211 CG LEU A 13 -2.064 6.555 3.225 1.00 0.00 C ATOM 212 CD1 LEU A 13 -3.280 6.166 4.054 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.497 7.043 1.851 1.00 0.00 C ATOM 0 H LEU A 13 -1.235 9.518 2.367 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.993 8.741 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.340 7.825 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.885 7.188 4.902 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.436 5.675 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.860 5.415 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.953 5.758 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.899 7.046 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.087 6.269 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.100 7.945 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.616 7.265 1.249 1.00 0.00 H new ATOM 225 N ASN A 14 -0.177 10.181 5.383 1.00 0.00 N ATOM 226 CA ASN A 14 0.498 10.818 6.514 1.00 0.00 C ATOM 227 C ASN A 14 -0.402 11.890 7.125 1.00 0.00 C ATOM 228 O ASN A 14 -0.434 12.061 8.348 1.00 0.00 O ATOM 229 CB ASN A 14 1.833 11.421 6.054 1.00 0.00 C ATOM 230 CG ASN A 14 2.797 11.774 7.183 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.286 12.263 8.297 1.00 0.00 O flip ATOM 232 ND2 ASN A 14 4.013 11.633 7.035 1.00 0.00 N flip ATOM 0 H ASN A 14 0.330 10.248 4.500 1.00 0.00 H new ATOM 0 HA ASN A 14 0.704 10.069 7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.323 10.715 5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.629 12.321 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.380 11.252 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.652 11.897 7.785 1.00 0.00 H new ATOM 239 N ARG A 15 -1.143 12.596 6.278 1.00 0.00 N ATOM 240 CA ARG A 15 -2.077 13.606 6.752 1.00 0.00 C ATOM 241 C ARG A 15 -3.199 12.964 7.553 1.00 0.00 C ATOM 242 O ARG A 15 -3.527 13.425 8.640 1.00 0.00 O ATOM 243 CB ARG A 15 -2.665 14.412 5.588 1.00 0.00 C ATOM 244 CG ARG A 15 -3.775 15.352 6.027 1.00 0.00 C ATOM 245 CD ARG A 15 -4.266 16.235 4.893 1.00 0.00 C ATOM 246 NE ARG A 15 -5.425 17.028 5.300 1.00 0.00 N ATOM 247 CZ ARG A 15 -5.354 18.248 5.834 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.180 18.841 6.009 1.00 0.00 N ATOM 249 NH2 ARG A 15 -6.466 18.877 6.183 1.00 0.00 N ATOM 0 H ARG A 15 -1.114 12.487 5.264 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.523 14.288 7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.871 14.990 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.052 13.725 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.609 14.768 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.415 15.979 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.463 16.899 4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.529 15.616 4.035 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.350 16.621 5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.322 18.364 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.136 19.774 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.371 18.428 6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.417 19.810 6.592 1.00 0.00 H new ATOM 263 N TRP A 16 -3.766 11.885 7.018 1.00 0.00 N ATOM 264 CA TRP A 16 -4.884 11.204 7.659 1.00 0.00 C ATOM 265 C TRP A 16 -4.515 10.777 9.079 1.00 0.00 C ATOM 266 O TRP A 16 -5.279 10.990 10.020 1.00 0.00 O ATOM 267 CB TRP A 16 -5.306 9.987 6.828 1.00 0.00 C ATOM 268 CG TRP A 16 -6.620 9.401 7.247 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.836 8.492 8.242 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.903 9.688 6.678 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.173 8.195 8.325 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.849 8.915 7.376 1.00 0.00 C ATOM 273 CE3 TRP A 16 -8.344 10.523 5.647 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -10.209 8.956 7.078 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -9.693 10.559 5.349 1.00 0.00 C ATOM 276 CH2 TRP A 16 -10.612 9.780 6.063 1.00 0.00 C ATOM 0 H TRP A 16 -3.467 11.464 6.139 1.00 0.00 H new ATOM 0 HA TRP A 16 -5.723 11.897 7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.365 10.277 5.779 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.535 9.220 6.904 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -6.067 8.069 8.872 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.595 7.543 8.986 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.643 11.129 5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.920 8.358 7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.044 11.198 4.553 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.660 9.831 5.807 1.00 0.00 H new ATOM 541 N SER A 32 -1.107 -1.024 14.595 1.00 0.00 N ATOM 542 CA SER A 32 -0.292 -2.143 14.130 1.00 0.00 C ATOM 543 C SER A 32 -0.367 -2.303 12.611 1.00 0.00 C ATOM 544 O SER A 32 0.643 -2.563 11.954 1.00 0.00 O ATOM 545 CB SER A 32 -0.746 -3.425 14.819 1.00 0.00 C ATOM 546 OG SER A 32 -0.787 -3.251 16.227 1.00 0.00 O ATOM 0 HA SER A 32 0.747 -1.937 14.386 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.733 -3.710 14.454 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.066 -4.239 14.568 1.00 0.00 H new ATOM 0 HG SER A 32 -1.087 -2.342 16.436 1.00 0.00 H new ATOM 552 N TYR A 33 -1.559 -2.123 12.050 1.00 0.00 N ATOM 553 CA TYR A 33 -1.743 -2.243 10.605 1.00 0.00 C ATOM 554 C TYR A 33 -1.166 -1.040 9.875 1.00 0.00 C ATOM 555 O TYR A 33 -0.914 -1.098 8.672 1.00 0.00 O ATOM 556 CB TYR A 33 -3.222 -2.440 10.244 1.00 0.00 C ATOM 557 CG TYR A 33 -4.185 -1.527 10.978 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.355 -0.199 10.602 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.932 -2.003 12.047 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.240 0.625 11.275 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.816 -1.187 12.722 1.00 0.00 C ATOM 562 CZ TYR A 33 -5.968 0.123 12.335 1.00 0.00 C ATOM 563 OH TYR A 33 -6.848 0.935 13.014 1.00 0.00 O ATOM 0 H TYR A 33 -2.407 -1.895 12.568 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.198 -3.129 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.343 -2.285 9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.497 -3.475 10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.788 0.195 9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.819 -3.032 12.356 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.360 1.655 10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.387 -1.576 13.552 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.279 0.424 13.730 1.00 0.00 H new ATOM 573 N GLU A 34 -0.935 0.039 10.607 1.00 0.00 N ATOM 574 CA GLU A 34 -0.342 1.234 10.032 1.00 0.00 C ATOM 575 C GLU A 34 1.166 1.036 9.903 1.00 0.00 C ATOM 576 O GLU A 34 1.799 1.556 8.984 1.00 0.00 O ATOM 577 CB GLU A 34 -0.681 2.452 10.904 1.00 0.00 C ATOM 578 CG GLU A 34 -0.357 3.803 10.274 1.00 0.00 C ATOM 579 CD GLU A 34 1.006 4.342 10.668 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.670 3.740 11.538 1.00 0.00 O ATOM 581 OE2 GLU A 34 1.419 5.387 10.117 1.00 0.00 O ATOM 0 H GLU A 34 -1.150 0.111 11.602 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.748 1.414 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.744 2.425 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.140 2.368 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.402 3.710 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.122 4.523 10.564 1.00 0.00 H new ATOM 588 N THR A 35 1.724 0.237 10.812 1.00 0.00 N ATOM 589 CA THR A 35 3.151 -0.061 10.819 1.00 0.00 C ATOM 590 C THR A 35 3.577 -0.766 9.533 1.00 0.00 C ATOM 591 O THR A 35 4.420 -0.262 8.791 1.00 0.00 O ATOM 592 CB THR A 35 3.516 -0.946 12.023 1.00 0.00 C ATOM 593 OG1 THR A 35 2.917 -0.416 13.210 1.00 0.00 O ATOM 594 CG2 THR A 35 5.023 -1.019 12.206 1.00 0.00 C ATOM 0 H THR A 35 1.201 -0.219 11.560 1.00 0.00 H new ATOM 0 HA THR A 35 3.679 0.890 10.892 1.00 0.00 H new ATOM 0 HB THR A 35 3.140 -1.952 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.150 -0.983 13.975 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.255 -1.650 13.064 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.478 -1.442 11.310 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.418 -0.017 12.376 1.00 0.00 H new ATOM 602 N VAL A 36 2.980 -1.927 9.267 1.00 0.00 N ATOM 603 CA VAL A 36 3.323 -2.710 8.084 1.00 0.00 C ATOM 604 C VAL A 36 3.028 -1.927 6.811 1.00 0.00 C ATOM 605 O VAL A 36 3.775 -2.003 5.828 1.00 0.00 O ATOM 606 CB VAL A 36 2.564 -4.060 8.040 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.005 -4.962 9.181 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.062 -3.844 8.091 1.00 0.00 C ATOM 0 H VAL A 36 2.258 -2.344 9.854 1.00 0.00 H new ATOM 0 HA VAL A 36 4.391 -2.918 8.146 1.00 0.00 H new ATOM 0 HB VAL A 36 2.807 -4.548 7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.460 -5.904 9.131 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.074 -5.157 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.798 -4.473 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.554 -4.808 8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.800 -3.327 9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.752 -3.242 7.237 1.00 0.00 H new ATOM 618 N LEU A 37 1.952 -1.157 6.852 1.00 0.00 N ATOM 619 CA LEU A 37 1.512 -0.378 5.713 1.00 0.00 C ATOM 620 C LEU A 37 2.539 0.696 5.377 1.00 0.00 C ATOM 621 O LEU A 37 3.073 0.733 4.266 1.00 0.00 O ATOM 622 CB LEU A 37 0.160 0.258 6.034 1.00 0.00 C ATOM 623 CG LEU A 37 -0.575 0.878 4.850 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.891 -0.180 3.807 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.852 1.547 5.326 1.00 0.00 C ATOM 0 H LEU A 37 1.361 -1.057 7.678 1.00 0.00 H new ATOM 0 HA LEU A 37 1.408 -1.030 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.482 -0.502 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.312 1.030 6.789 1.00 0.00 H new ATOM 0 HG LEU A 37 0.069 1.629 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.415 0.280 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.036 -0.629 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.521 -0.951 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.371 1.987 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.496 0.806 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.607 2.328 6.045 1.00 0.00 H new ATOM 637 N ARG A 38 2.838 1.539 6.359 1.00 0.00 N ATOM 638 CA ARG A 38 3.765 2.646 6.169 1.00 0.00 C ATOM 639 C ARG A 38 5.150 2.129 5.783 1.00 0.00 C ATOM 640 O ARG A 38 5.811 2.689 4.913 1.00 0.00 O ATOM 641 CB ARG A 38 3.839 3.499 7.449 1.00 0.00 C ATOM 642 CG ARG A 38 4.801 2.966 8.506 1.00 0.00 C ATOM 643 CD ARG A 38 4.539 3.560 9.882 1.00 0.00 C ATOM 644 NE ARG A 38 4.015 4.922 9.815 1.00 0.00 N ATOM 645 CZ ARG A 38 4.760 6.019 9.760 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.084 5.933 9.749 1.00 0.00 N ATOM 647 NH2 ARG A 38 4.169 7.204 9.721 1.00 0.00 N ATOM 0 H ARG A 38 2.449 1.475 7.300 1.00 0.00 H new ATOM 0 HA ARG A 38 3.400 3.272 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.139 4.512 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.842 3.567 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.713 1.881 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.825 3.188 8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.831 2.928 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.465 3.559 10.457 1.00 0.00 H new ATOM 0 HE ARG A 38 3.002 5.039 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.536 5.019 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.650 6.781 9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.151 7.267 9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.732 8.054 9.679 1.00 0.00 H new ATOM 661 N LEU A 39 5.554 1.026 6.402 1.00 0.00 N ATOM 662 CA LEU A 39 6.905 0.506 6.260 1.00 0.00 C ATOM 663 C LEU A 39 7.188 0.032 4.840 1.00 0.00 C ATOM 664 O LEU A 39 8.262 0.282 4.299 1.00 0.00 O ATOM 665 CB LEU A 39 7.121 -0.649 7.245 1.00 0.00 C ATOM 666 CG LEU A 39 8.536 -1.235 7.281 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.534 -0.204 7.792 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.569 -2.487 8.145 1.00 0.00 C ATOM 0 H LEU A 39 4.956 0.470 7.013 1.00 0.00 H new ATOM 0 HA LEU A 39 7.597 1.319 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.866 -0.301 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.423 -1.449 6.998 1.00 0.00 H new ATOM 0 HG LEU A 39 8.821 -1.508 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.532 -0.641 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.530 0.664 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.255 0.104 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.581 -2.892 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.263 -2.236 9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.887 -3.231 7.734 1.00 0.00 H new ATOM 680 N HIS A 40 6.227 -0.642 4.229 1.00 0.00 N ATOM 681 CA HIS A 40 6.489 -1.309 2.960 1.00 0.00 C ATOM 682 C HIS A 40 6.167 -0.437 1.750 1.00 0.00 C ATOM 683 O HIS A 40 6.985 -0.320 0.839 1.00 0.00 O ATOM 684 CB HIS A 40 5.716 -2.627 2.883 1.00 0.00 C ATOM 685 CG HIS A 40 6.187 -3.648 3.873 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.589 -3.834 5.097 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.209 -4.534 3.820 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.221 -4.786 5.755 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.210 -5.229 5.004 1.00 0.00 N ATOM 0 H HIS A 40 5.275 -0.742 4.581 1.00 0.00 H new ATOM 0 HA HIS A 40 7.560 -1.509 2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.657 -2.430 3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.809 -3.036 1.877 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.781 -3.316 5.443 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.897 -4.669 2.998 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.971 -5.143 6.743 1.00 0.00 H new ATOM 698 N VAL A 41 4.992 0.174 1.726 1.00 0.00 N ATOM 699 CA VAL A 41 4.530 0.832 0.508 1.00 0.00 C ATOM 700 C VAL A 41 4.728 2.355 0.532 1.00 0.00 C ATOM 701 O VAL A 41 4.782 2.992 -0.522 1.00 0.00 O ATOM 702 CB VAL A 41 3.053 0.478 0.208 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.124 0.992 1.294 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.625 0.993 -1.161 1.00 0.00 C ATOM 0 H VAL A 41 4.351 0.229 2.517 1.00 0.00 H new ATOM 0 HA VAL A 41 5.155 0.449 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 41 2.979 -0.609 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.096 0.725 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.398 0.544 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.211 2.076 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.583 0.728 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.734 2.077 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.252 0.543 -1.931 1.00 0.00 H new ATOM 714 N ILE A 42 4.874 2.943 1.715 1.00 0.00 N ATOM 715 CA ILE A 42 5.009 4.397 1.809 1.00 0.00 C ATOM 716 C ILE A 42 6.358 4.891 1.252 1.00 0.00 C ATOM 717 O ILE A 42 6.374 5.798 0.421 1.00 0.00 O ATOM 718 CB ILE A 42 4.770 4.921 3.256 1.00 0.00 C ATOM 719 CG1 ILE A 42 3.282 5.234 3.478 1.00 0.00 C ATOM 720 CG2 ILE A 42 5.607 6.161 3.550 1.00 0.00 C ATOM 721 CD1 ILE A 42 2.343 4.084 3.178 1.00 0.00 C ATOM 0 H ILE A 42 4.902 2.449 2.607 1.00 0.00 H new ATOM 0 HA ILE A 42 4.223 4.817 1.181 1.00 0.00 H new ATOM 0 HB ILE A 42 5.078 4.132 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.140 5.541 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.006 6.083 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.413 6.498 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.665 5.920 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.342 6.953 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.315 4.396 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.451 3.789 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.587 3.238 3.821 1.00 0.00 H new ATOM 733 N PRO A 43 7.506 4.306 1.660 1.00 0.00 N ATOM 734 CA PRO A 43 8.814 4.736 1.168 1.00 0.00 C ATOM 735 C PRO A 43 9.095 4.258 -0.258 1.00 0.00 C ATOM 736 O PRO A 43 10.113 4.613 -0.850 1.00 0.00 O ATOM 737 CB PRO A 43 9.814 4.092 2.146 1.00 0.00 C ATOM 738 CG PRO A 43 8.988 3.501 3.240 1.00 0.00 C ATOM 739 CD PRO A 43 7.646 3.220 2.635 1.00 0.00 C ATOM 0 HA PRO A 43 8.879 5.823 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.410 3.327 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.510 4.833 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.443 2.587 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.901 4.190 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.612 2.240 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.852 3.239 3.381 1.00 0.00 H new ATOM 747 N THR A 44 8.192 3.455 -0.804 1.00 0.00 N ATOM 748 CA THR A 44 8.378 2.905 -2.136 1.00 0.00 C ATOM 749 C THR A 44 7.451 3.567 -3.155 1.00 0.00 C ATOM 750 O THR A 44 7.903 4.297 -4.039 1.00 0.00 O ATOM 751 CB THR A 44 8.135 1.384 -2.136 1.00 0.00 C ATOM 752 OG1 THR A 44 6.912 1.084 -1.456 1.00 0.00 O ATOM 753 CG2 THR A 44 9.277 0.649 -1.461 1.00 0.00 C ATOM 0 H THR A 44 7.326 3.172 -0.345 1.00 0.00 H new ATOM 0 HA THR A 44 9.409 3.108 -2.425 1.00 0.00 H new ATOM 0 HB THR A 44 8.072 1.054 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.075 0.393 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.079 -0.423 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.206 0.853 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.368 0.987 -0.429 1.00 0.00 H new ATOM 761 N LEU A 45 6.153 3.331 -3.011 1.00 0.00 N ATOM 762 CA LEU A 45 5.176 3.791 -3.989 1.00 0.00 C ATOM 763 C LEU A 45 4.427 5.013 -3.472 1.00 0.00 C ATOM 764 O LEU A 45 3.524 5.528 -4.131 1.00 0.00 O ATOM 765 CB LEU A 45 4.185 2.668 -4.310 1.00 0.00 C ATOM 766 CG LEU A 45 4.816 1.352 -4.777 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.749 0.289 -4.986 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.615 1.562 -6.054 1.00 0.00 C ATOM 0 H LEU A 45 5.752 2.822 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 45 5.707 4.071 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.586 2.469 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.502 3.019 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 45 5.497 1.007 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.218 -0.637 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.222 0.113 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.041 0.628 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.054 0.615 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.956 1.934 -6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.408 2.287 -5.872 1.00 0.00 H new ATOM 780 N GLY A 46 4.820 5.478 -2.293 1.00 0.00 N ATOM 781 CA GLY A 46 4.159 6.611 -1.676 1.00 0.00 C ATOM 782 C GLY A 46 4.333 7.898 -2.458 1.00 0.00 C ATOM 783 O GLY A 46 3.482 8.783 -2.399 1.00 0.00 O ATOM 0 H GLY A 46 5.590 5.087 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.095 6.394 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.552 6.749 -0.669 1.00 0.00 H new ATOM 787 N SER A 47 5.425 8.004 -3.200 1.00 0.00 N ATOM 788 CA SER A 47 5.707 9.205 -3.971 1.00 0.00 C ATOM 789 C SER A 47 5.235 9.054 -5.419 1.00 0.00 C ATOM 790 O SER A 47 5.733 9.727 -6.323 1.00 0.00 O ATOM 791 CB SER A 47 7.202 9.509 -3.910 1.00 0.00 C ATOM 792 OG SER A 47 7.622 9.668 -2.561 1.00 0.00 O ATOM 0 H SER A 47 6.131 7.272 -3.284 1.00 0.00 H new ATOM 0 HA SER A 47 5.157 10.041 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.763 8.701 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.418 10.416 -4.474 1.00 0.00 H new ATOM 0 HG SER A 47 6.867 9.975 -2.017 1.00 0.00 H new ATOM 798 N ILE A 48 4.267 8.170 -5.625 1.00 0.00 N ATOM 799 CA ILE A 48 3.650 7.977 -6.932 1.00 0.00 C ATOM 800 C ILE A 48 2.159 8.302 -6.847 1.00 0.00 C ATOM 801 O ILE A 48 1.488 7.861 -5.919 1.00 0.00 O ATOM 802 CB ILE A 48 3.835 6.522 -7.433 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.324 6.179 -7.533 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.149 6.321 -8.781 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.591 4.754 -7.969 1.00 0.00 C ATOM 0 H ILE A 48 3.888 7.568 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 48 4.138 8.646 -7.641 1.00 0.00 H new ATOM 0 HB ILE A 48 3.370 5.850 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.798 6.861 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.793 6.347 -6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.292 5.293 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.083 6.525 -8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.581 7.002 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.667 4.584 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.146 4.065 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.152 4.586 -8.953 1.00 0.00 H new ATOM 817 N PRO A 49 1.628 9.110 -7.788 1.00 0.00 N ATOM 818 CA PRO A 49 0.200 9.465 -7.815 1.00 0.00 C ATOM 819 C PRO A 49 -0.697 8.232 -7.893 1.00 0.00 C ATOM 820 O PRO A 49 -0.359 7.254 -8.557 1.00 0.00 O ATOM 821 CB PRO A 49 0.059 10.306 -9.090 1.00 0.00 C ATOM 822 CG PRO A 49 1.432 10.813 -9.369 1.00 0.00 C ATOM 823 CD PRO A 49 2.374 9.749 -8.886 1.00 0.00 C ATOM 0 HA PRO A 49 -0.105 9.990 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.317 9.706 -9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.644 11.127 -8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.569 11.001 -10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.612 11.756 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.616 9.037 -9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.316 10.173 -8.539 1.00 0.00 H new ATOM 831 N LEU A 50 -1.852 8.294 -7.239 1.00 0.00 N ATOM 832 CA LEU A 50 -2.758 7.148 -7.164 1.00 0.00 C ATOM 833 C LEU A 50 -3.346 6.797 -8.528 1.00 0.00 C ATOM 834 O LEU A 50 -3.756 5.663 -8.759 1.00 0.00 O ATOM 835 CB LEU A 50 -3.878 7.417 -6.156 1.00 0.00 C ATOM 836 CG LEU A 50 -3.468 7.291 -4.687 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.569 7.805 -3.774 1.00 0.00 C ATOM 838 CD2 LEU A 50 -3.134 5.841 -4.356 1.00 0.00 C ATOM 0 H LEU A 50 -2.185 9.126 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.174 6.292 -6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.265 8.422 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.696 6.723 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.579 7.901 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.256 7.706 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.765 8.854 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.477 7.224 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.844 5.765 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.008 5.216 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.311 5.504 -4.986 1.00 0.00 H new ATOM 850 N LYS A 51 -3.385 7.766 -9.433 1.00 0.00 N ATOM 851 CA LYS A 51 -3.878 7.516 -10.782 1.00 0.00 C ATOM 852 C LYS A 51 -2.772 6.927 -11.655 1.00 0.00 C ATOM 853 O LYS A 51 -3.037 6.333 -12.698 1.00 0.00 O ATOM 854 CB LYS A 51 -4.431 8.798 -11.422 1.00 0.00 C ATOM 855 CG LYS A 51 -5.743 9.284 -10.811 1.00 0.00 C ATOM 856 CD LYS A 51 -5.527 9.986 -9.479 1.00 0.00 C ATOM 857 CE LYS A 51 -6.845 10.290 -8.779 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.776 11.066 -9.640 1.00 0.00 N ATOM 0 H LYS A 51 -3.084 8.725 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.693 6.796 -10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.685 9.588 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.581 8.624 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.235 9.966 -11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.413 8.436 -10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.909 9.361 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.980 10.914 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.321 9.355 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.648 10.850 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.574 11.408 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.273 11.877 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.133 10.456 -10.403 1.00 0.00 H new ATOM 872 N LYS A 52 -1.533 7.079 -11.205 1.00 0.00 N ATOM 873 CA LYS A 52 -0.386 6.564 -11.936 1.00 0.00 C ATOM 874 C LYS A 52 0.063 5.237 -11.333 1.00 0.00 C ATOM 875 O LYS A 52 0.803 4.476 -11.954 1.00 0.00 O ATOM 876 CB LYS A 52 0.761 7.575 -11.900 1.00 0.00 C ATOM 877 CG LYS A 52 1.943 7.186 -12.773 1.00 0.00 C ATOM 878 CD LYS A 52 3.053 8.220 -12.706 1.00 0.00 C ATOM 879 CE LYS A 52 4.196 7.867 -13.641 1.00 0.00 C ATOM 880 NZ LYS A 52 3.744 7.769 -15.054 1.00 0.00 N ATOM 0 H LYS A 52 -1.298 7.556 -10.335 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.674 6.401 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.387 8.547 -12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.102 7.689 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.328 6.217 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.612 7.073 -13.805 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.655 9.200 -12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.425 8.291 -11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.977 8.623 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.637 6.919 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.569 7.815 -15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.247 6.867 -15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.100 8.557 -15.268 1.00 0.00 H new ATOM 894 N LEU A 53 -0.398 4.978 -10.116 1.00 0.00 N ATOM 895 CA LEU A 53 -0.064 3.757 -9.402 1.00 0.00 C ATOM 896 C LEU A 53 -0.531 2.536 -10.194 1.00 0.00 C ATOM 897 O LEU A 53 -1.715 2.392 -10.505 1.00 0.00 O ATOM 898 CB LEU A 53 -0.697 3.800 -7.997 1.00 0.00 C ATOM 899 CG LEU A 53 -0.294 2.686 -7.020 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.065 1.408 -7.295 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.204 2.422 -7.081 1.00 0.00 C ATOM 0 H LEU A 53 -1.012 5.608 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 53 1.017 3.678 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.447 4.758 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.781 3.775 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.544 3.026 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.758 0.638 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.133 1.597 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.859 1.070 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.463 1.629 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.479 2.117 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.745 3.331 -6.817 1.00 0.00 H new ATOM 913 N GLN A 54 0.415 1.674 -10.532 1.00 0.00 N ATOM 914 CA GLN A 54 0.120 0.486 -11.312 1.00 0.00 C ATOM 915 C GLN A 54 0.235 -0.766 -10.452 1.00 0.00 C ATOM 916 O GLN A 54 1.065 -0.834 -9.545 1.00 0.00 O ATOM 917 CB GLN A 54 1.081 0.376 -12.496 1.00 0.00 C ATOM 918 CG GLN A 54 0.974 1.512 -13.501 1.00 0.00 C ATOM 919 CD GLN A 54 1.869 1.297 -14.707 1.00 0.00 C ATOM 920 OE1 GLN A 54 2.073 0.042 -15.082 1.00 0.00 O flip ATOM 921 NE2 GLN A 54 2.360 2.251 -15.312 1.00 0.00 N flip ATOM 0 H GLN A 54 1.397 1.777 -10.276 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.902 0.571 -11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.102 0.338 -12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.897 -0.567 -13.011 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.061 1.607 -13.831 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.241 2.451 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.181 3.203 -14.994 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.946 2.089 -16.131 1.00 0.00 H new ATOM 930 N PRO A 55 -0.600 -1.780 -10.732 1.00 0.00 N ATOM 931 CA PRO A 55 -0.525 -3.080 -10.055 1.00 0.00 C ATOM 932 C PRO A 55 0.829 -3.752 -10.269 1.00 0.00 C ATOM 933 O PRO A 55 1.289 -4.524 -9.429 1.00 0.00 O ATOM 934 CB PRO A 55 -1.635 -3.903 -10.717 1.00 0.00 C ATOM 935 CG PRO A 55 -2.557 -2.898 -11.321 1.00 0.00 C ATOM 936 CD PRO A 55 -1.696 -1.734 -11.715 1.00 0.00 C ATOM 0 HA PRO A 55 -0.641 -2.984 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.230 -4.573 -11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.153 -4.525 -9.987 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.073 -3.312 -12.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.323 -2.593 -10.608 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.326 -1.834 -12.736 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.243 -0.793 -11.665 1.00 0.00 H new ATOM 944 N ALA A 56 1.463 -3.436 -11.397 1.00 0.00 N ATOM 945 CA ALA A 56 2.765 -3.996 -11.742 1.00 0.00 C ATOM 946 C ALA A 56 3.791 -3.729 -10.645 1.00 0.00 C ATOM 947 O ALA A 56 4.501 -4.638 -10.216 1.00 0.00 O ATOM 948 CB ALA A 56 3.245 -3.425 -13.071 1.00 0.00 C ATOM 0 H ALA A 56 1.090 -2.789 -12.092 1.00 0.00 H new ATOM 0 HA ALA A 56 2.655 -5.076 -11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.218 -3.849 -13.319 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.529 -3.675 -13.854 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.332 -2.341 -12.991 1.00 0.00 H new ATOM 954 N ASP A 57 3.846 -2.486 -10.177 1.00 0.00 N ATOM 955 CA ASP A 57 4.808 -2.098 -9.144 1.00 0.00 C ATOM 956 C ASP A 57 4.439 -2.695 -7.792 1.00 0.00 C ATOM 957 O ASP A 57 5.308 -2.970 -6.969 1.00 0.00 O ATOM 958 CB ASP A 57 4.916 -0.575 -9.031 1.00 0.00 C ATOM 959 CG ASP A 57 5.811 0.027 -10.097 1.00 0.00 C ATOM 960 OD1 ASP A 57 7.054 -0.099 -9.981 1.00 0.00 O ATOM 961 OD2 ASP A 57 5.277 0.631 -11.053 1.00 0.00 O ATOM 0 H ASP A 57 3.239 -1.730 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 57 5.779 -2.494 -9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.921 -0.137 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.304 -0.314 -8.046 1.00 0.00 H new ATOM 966 N ILE A 58 3.148 -2.906 -7.568 1.00 0.00 N ATOM 967 CA ILE A 58 2.686 -3.525 -6.330 1.00 0.00 C ATOM 968 C ILE A 58 3.100 -4.994 -6.288 1.00 0.00 C ATOM 969 O ILE A 58 3.642 -5.470 -5.290 1.00 0.00 O ATOM 970 CB ILE A 58 1.154 -3.416 -6.170 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.725 -1.950 -6.153 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.697 -4.113 -4.894 1.00 0.00 C ATOM 973 CD1 ILE A 58 -0.766 -1.761 -5.984 1.00 0.00 C ATOM 0 H ILE A 58 2.405 -2.660 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 58 3.152 -2.987 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 58 0.684 -3.909 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.243 -1.437 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.040 -1.476 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.385 -4.025 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.973 -5.167 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.176 -3.646 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.000 -0.696 -5.981 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.290 -2.245 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.085 -2.205 -5.041 1.00 0.00 H new ATOM 985 N GLN A 59 2.856 -5.702 -7.386 1.00 0.00 N ATOM 986 CA GLN A 59 3.279 -7.093 -7.514 1.00 0.00 C ATOM 987 C GLN A 59 4.800 -7.179 -7.441 1.00 0.00 C ATOM 988 O GLN A 59 5.360 -8.109 -6.857 1.00 0.00 O ATOM 989 CB GLN A 59 2.768 -7.679 -8.834 1.00 0.00 C ATOM 990 CG GLN A 59 3.208 -9.111 -9.097 1.00 0.00 C ATOM 991 CD GLN A 59 2.551 -9.700 -10.329 1.00 0.00 C ATOM 992 OE1 GLN A 59 1.423 -9.350 -10.671 1.00 0.00 O ATOM 993 NE2 GLN A 59 3.256 -10.587 -11.011 1.00 0.00 N ATOM 0 H GLN A 59 2.366 -5.335 -8.202 1.00 0.00 H new ATOM 0 HA GLN A 59 2.857 -7.674 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.679 -7.640 -8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.112 -7.049 -9.655 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.291 -9.139 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.968 -9.727 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.189 -10.850 -10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.867 -11.008 -11.855 1.00 0.00 H new ATOM 1002 N ARG A 60 5.451 -6.190 -8.035 1.00 0.00 N ATOM 1003 CA ARG A 60 6.901 -6.050 -7.971 1.00 0.00 C ATOM 1004 C ARG A 60 7.368 -5.907 -6.521 1.00 0.00 C ATOM 1005 O ARG A 60 8.331 -6.553 -6.106 1.00 0.00 O ATOM 1006 CB ARG A 60 7.317 -4.827 -8.789 1.00 0.00 C ATOM 1007 CG ARG A 60 8.788 -4.471 -8.700 1.00 0.00 C ATOM 1008 CD ARG A 60 9.074 -3.191 -9.467 1.00 0.00 C ATOM 1009 NE ARG A 60 10.447 -2.738 -9.287 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.815 -1.457 -9.281 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.916 -0.494 -9.469 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.093 -1.145 -9.093 1.00 0.00 N ATOM 0 H ARG A 60 4.989 -5.459 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 60 7.369 -6.944 -8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.063 -5.003 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.730 -3.970 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.076 -4.348 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.390 -5.285 -9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.883 -3.354 -10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.389 -2.410 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 60 11.171 -3.445 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.936 -0.733 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.207 0.484 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.783 -1.883 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.384 -0.167 -9.087 1.00 0.00 H new ATOM 1026 N LEU A 61 6.670 -5.061 -5.767 1.00 0.00 N ATOM 1027 CA LEU A 61 6.953 -4.843 -4.350 1.00 0.00 C ATOM 1028 C LEU A 61 6.960 -6.178 -3.609 1.00 0.00 C ATOM 1029 O LEU A 61 7.907 -6.494 -2.885 1.00 0.00 O ATOM 1030 CB LEU A 61 5.893 -3.890 -3.756 1.00 0.00 C ATOM 1031 CG LEU A 61 6.193 -3.277 -2.375 1.00 0.00 C ATOM 1032 CD1 LEU A 61 6.071 -4.304 -1.261 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.573 -2.644 -2.363 1.00 0.00 C ATOM 0 H LEU A 61 5.891 -4.506 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 61 7.936 -4.387 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.739 -3.074 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.951 -4.434 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 61 5.447 -2.504 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.291 -3.831 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.057 -4.704 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.778 -5.115 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.768 -2.216 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.323 -3.403 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.619 -1.858 -3.117 1.00 0.00 H new ATOM 1045 N TYR A 62 5.902 -6.955 -3.805 1.00 0.00 N ATOM 1046 CA TYR A 62 5.785 -8.256 -3.163 1.00 0.00 C ATOM 1047 C TYR A 62 6.919 -9.181 -3.587 1.00 0.00 C ATOM 1048 O TYR A 62 7.645 -9.705 -2.748 1.00 0.00 O ATOM 1049 CB TYR A 62 4.445 -8.917 -3.498 1.00 0.00 C ATOM 1050 CG TYR A 62 3.237 -8.165 -2.989 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.122 -7.818 -1.649 1.00 0.00 C ATOM 1052 CD2 TYR A 62 2.209 -7.813 -3.849 1.00 0.00 C ATOM 1053 CE1 TYR A 62 2.011 -7.144 -1.181 1.00 0.00 C ATOM 1054 CE2 TYR A 62 1.097 -7.136 -3.390 1.00 0.00 C ATOM 1055 CZ TYR A 62 1.004 -6.802 -2.056 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.107 -6.132 -1.596 1.00 0.00 O ATOM 0 H TYR A 62 5.114 -6.706 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 62 5.843 -8.090 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.365 -9.021 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.435 -9.923 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.914 -8.079 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.279 -8.072 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.932 -6.887 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.304 -6.869 -4.073 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.721 -5.966 -2.342 1.00 0.00 H new ATOM 1066 N ALA A 63 7.080 -9.354 -4.896 1.00 0.00 N ATOM 1067 CA ALA A 63 8.041 -10.311 -5.437 1.00 0.00 C ATOM 1068 C ALA A 63 9.472 -9.975 -5.022 1.00 0.00 C ATOM 1069 O ALA A 63 10.244 -10.861 -4.647 1.00 0.00 O ATOM 1070 CB ALA A 63 7.933 -10.363 -6.955 1.00 0.00 C ATOM 0 H ALA A 63 6.555 -8.842 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 63 7.799 -11.290 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.654 -11.080 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.926 -10.670 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.141 -9.376 -7.369 1.00 0.00 H new ATOM 1076 N SER A 64 9.815 -8.696 -5.077 1.00 0.00 N ATOM 1077 CA SER A 64 11.170 -8.254 -4.788 1.00 0.00 C ATOM 1078 C SER A 64 11.535 -8.474 -3.318 1.00 0.00 C ATOM 1079 O SER A 64 12.612 -8.979 -3.005 1.00 0.00 O ATOM 1080 CB SER A 64 11.320 -6.778 -5.161 1.00 0.00 C ATOM 1081 OG SER A 64 12.639 -6.312 -4.935 1.00 0.00 O ATOM 0 H SER A 64 9.170 -7.944 -5.320 1.00 0.00 H new ATOM 0 HA SER A 64 11.858 -8.852 -5.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.060 -6.640 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.618 -6.182 -4.577 1.00 0.00 H new ATOM 0 HG SER A 64 12.699 -5.366 -5.185 1.00 0.00 H new ATOM 1087 N LYS A 65 10.634 -8.121 -2.412 1.00 0.00 N ATOM 1088 CA LYS A 65 10.940 -8.208 -0.990 1.00 0.00 C ATOM 1089 C LYS A 65 10.622 -9.585 -0.417 1.00 0.00 C ATOM 1090 O LYS A 65 11.178 -9.979 0.609 1.00 0.00 O ATOM 1091 CB LYS A 65 10.242 -7.082 -0.235 1.00 0.00 C ATOM 1092 CG LYS A 65 11.058 -5.798 -0.265 1.00 0.00 C ATOM 1093 CD LYS A 65 10.201 -4.548 -0.237 1.00 0.00 C ATOM 1094 CE LYS A 65 11.063 -3.300 -0.387 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.954 -3.384 -1.581 1.00 0.00 N ATOM 0 H LYS A 65 9.699 -7.777 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 65 12.015 -8.079 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.261 -6.901 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.076 -7.384 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.736 -5.786 0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.676 -5.788 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.466 -4.587 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.646 -4.502 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.421 -2.423 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.668 -3.166 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.251 -2.427 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.793 -3.953 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.440 -3.831 -2.367 1.00 0.00 H new ATOM 1109 N LEU A 66 9.752 -10.330 -1.089 1.00 0.00 N ATOM 1110 CA LEU A 66 9.576 -11.743 -0.778 1.00 0.00 C ATOM 1111 C LEU A 66 10.884 -12.469 -1.069 1.00 0.00 C ATOM 1112 O LEU A 66 11.241 -13.442 -0.408 1.00 0.00 O ATOM 1113 CB LEU A 66 8.432 -12.342 -1.607 1.00 0.00 C ATOM 1114 CG LEU A 66 8.199 -13.845 -1.432 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.784 -14.170 -0.003 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.148 -14.338 -2.416 1.00 0.00 C ATOM 0 H LEU A 66 9.163 -9.983 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 66 9.316 -11.857 0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.511 -11.818 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.630 -12.144 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 66 9.138 -14.359 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.625 -15.244 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.569 -13.856 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.860 -13.643 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.994 -15.408 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.210 -13.811 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.486 -14.148 -3.435 1.00 0.00 H new ATOM 1128 N GLU A 67 11.592 -11.961 -2.067 1.00 0.00 N ATOM 1129 CA GLU A 67 12.907 -12.460 -2.435 1.00 0.00 C ATOM 1130 C GLU A 67 13.952 -12.036 -1.408 1.00 0.00 C ATOM 1131 O GLU A 67 14.885 -12.781 -1.110 1.00 0.00 O ATOM 1132 CB GLU A 67 13.271 -11.919 -3.813 1.00 0.00 C ATOM 1133 CG GLU A 67 14.675 -12.252 -4.272 1.00 0.00 C ATOM 1134 CD GLU A 67 15.015 -11.552 -5.565 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.606 -12.048 -6.635 1.00 0.00 O ATOM 1136 OE2 GLU A 67 15.665 -10.486 -5.515 1.00 0.00 O ATOM 0 H GLU A 67 11.268 -11.187 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 67 12.885 -13.549 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.562 -12.312 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.153 -10.835 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.389 -11.962 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.769 -13.330 -4.405 1.00 0.00 H new ATOM 1143 N SER A 68 13.788 -10.835 -0.866 1.00 0.00 N ATOM 1144 CA SER A 68 14.724 -10.306 0.112 1.00 0.00 C ATOM 1145 C SER A 68 14.687 -11.121 1.406 1.00 0.00 C ATOM 1146 O SER A 68 15.724 -11.370 2.022 1.00 0.00 O ATOM 1147 CB SER A 68 14.409 -8.838 0.391 1.00 0.00 C ATOM 1148 OG SER A 68 14.372 -8.087 -0.815 1.00 0.00 O ATOM 0 H SER A 68 13.013 -10.210 -1.089 1.00 0.00 H new ATOM 0 HA SER A 68 15.731 -10.380 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.450 -8.759 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.162 -8.422 1.060 1.00 0.00 H new ATOM 0 HG SER A 68 14.167 -7.151 -0.611 1.00 0.00 H new ATOM 1154 N GLY A 69 13.494 -11.540 1.818 1.00 0.00 N ATOM 1155 CA GLY A 69 13.389 -12.388 2.991 1.00 0.00 C ATOM 1156 C GLY A 69 12.053 -12.286 3.696 1.00 0.00 C ATOM 1157 O GLY A 69 12.000 -12.237 4.926 1.00 0.00 O ATOM 0 H GLY A 69 12.608 -11.311 1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.556 -13.424 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.181 -12.124 3.692 1.00 0.00 H new ATOM 1161 N LEU A 70 10.971 -12.255 2.935 1.00 0.00 N ATOM 1162 CA LEU A 70 9.638 -12.226 3.524 1.00 0.00 C ATOM 1163 C LEU A 70 9.020 -13.619 3.526 1.00 0.00 C ATOM 1164 O LEU A 70 9.403 -14.485 2.735 1.00 0.00 O ATOM 1165 CB LEU A 70 8.721 -11.248 2.778 1.00 0.00 C ATOM 1166 CG LEU A 70 9.050 -9.765 2.964 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.068 -8.902 2.183 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.035 -9.396 4.442 1.00 0.00 C ATOM 0 H LEU A 70 10.986 -12.249 1.915 1.00 0.00 H new ATOM 0 HA LEU A 70 9.741 -11.883 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.760 -11.480 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.695 -11.418 3.104 1.00 0.00 H new ATOM 0 HG LEU A 70 10.052 -9.580 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.315 -7.850 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.130 -9.149 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.055 -9.088 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.271 -8.338 4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.046 -9.594 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.777 -9.992 4.973 1.00 0.00 H new ATOM 1180 N SER A 71 8.078 -13.829 4.430 1.00 0.00 N ATOM 1181 CA SER A 71 7.342 -15.078 4.497 1.00 0.00 C ATOM 1182 C SER A 71 6.025 -14.943 3.733 1.00 0.00 C ATOM 1183 O SER A 71 5.448 -13.853 3.681 1.00 0.00 O ATOM 1184 CB SER A 71 7.083 -15.443 5.962 1.00 0.00 C ATOM 1185 OG SER A 71 6.506 -14.353 6.664 1.00 0.00 O ATOM 0 H SER A 71 7.804 -13.143 5.133 1.00 0.00 H new ATOM 0 HA SER A 71 7.928 -15.874 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.419 -16.306 6.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.019 -15.733 6.439 1.00 0.00 H new ATOM 0 HG SER A 71 6.348 -14.611 7.596 1.00 0.00 H new ATOM 1191 N PRO A 72 5.538 -16.036 3.119 1.00 0.00 N ATOM 1192 CA PRO A 72 4.278 -16.030 2.360 1.00 0.00 C ATOM 1193 C PRO A 72 3.110 -15.509 3.193 1.00 0.00 C ATOM 1194 O PRO A 72 2.233 -14.803 2.692 1.00 0.00 O ATOM 1195 CB PRO A 72 4.062 -17.506 1.993 1.00 0.00 C ATOM 1196 CG PRO A 72 5.019 -18.278 2.840 1.00 0.00 C ATOM 1197 CD PRO A 72 6.174 -17.361 3.104 1.00 0.00 C ATOM 0 HA PRO A 72 4.330 -15.372 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.034 -17.811 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.251 -17.678 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.549 -18.591 3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.349 -19.183 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.662 -17.587 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.936 -17.436 2.328 1.00 0.00 H new ATOM 1205 N THR A 73 3.127 -15.848 4.471 1.00 0.00 N ATOM 1206 CA THR A 73 2.100 -15.423 5.404 1.00 0.00 C ATOM 1207 C THR A 73 2.130 -13.912 5.625 1.00 0.00 C ATOM 1208 O THR A 73 1.085 -13.270 5.747 1.00 0.00 O ATOM 1209 CB THR A 73 2.280 -16.154 6.742 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.676 -16.405 6.960 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.516 -17.468 6.752 1.00 0.00 C ATOM 0 H THR A 73 3.855 -16.427 4.890 1.00 0.00 H new ATOM 0 HA THR A 73 1.130 -15.676 4.975 1.00 0.00 H new ATOM 0 HB THR A 73 1.885 -15.524 7.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.795 -16.870 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.660 -17.966 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.454 -17.273 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.885 -18.109 5.951 1.00 0.00 H new ATOM 1219 N ARG A 74 3.330 -13.343 5.656 1.00 0.00 N ATOM 1220 CA ARG A 74 3.482 -11.910 5.862 1.00 0.00 C ATOM 1221 C ARG A 74 3.078 -11.163 4.597 1.00 0.00 C ATOM 1222 O ARG A 74 2.477 -10.092 4.662 1.00 0.00 O ATOM 1223 CB ARG A 74 4.925 -11.567 6.242 1.00 0.00 C ATOM 1224 CG ARG A 74 5.080 -10.217 6.925 1.00 0.00 C ATOM 1225 CD ARG A 74 4.320 -10.181 8.241 1.00 0.00 C ATOM 1226 NE ARG A 74 4.599 -8.978 9.021 1.00 0.00 N ATOM 1227 CZ ARG A 74 4.251 -8.835 10.301 1.00 0.00 C ATOM 1228 NH1 ARG A 74 3.608 -9.810 10.929 1.00 0.00 N ATOM 1229 NH2 ARG A 74 4.550 -7.719 10.952 1.00 0.00 N ATOM 0 H ARG A 74 4.207 -13.851 5.542 1.00 0.00 H new ATOM 0 HA ARG A 74 2.833 -11.604 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.310 -12.343 6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.540 -11.580 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.136 -10.016 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.713 -9.429 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.250 -10.238 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.581 -11.060 8.831 1.00 0.00 H new ATOM 0 HE ARG A 74 5.085 -8.207 8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.379 -10.671 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.343 -9.698 11.908 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.047 -6.967 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.283 -7.612 11.931 1.00 0.00 H new ATOM 1243 N VAL A 75 3.406 -11.749 3.447 1.00 0.00 N ATOM 1244 CA VAL A 75 3.031 -11.182 2.158 1.00 0.00 C ATOM 1245 C VAL A 75 1.513 -11.144 2.006 1.00 0.00 C ATOM 1246 O VAL A 75 0.955 -10.155 1.524 1.00 0.00 O ATOM 1247 CB VAL A 75 3.651 -11.977 0.987 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.201 -11.418 -0.356 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.167 -11.962 1.083 1.00 0.00 C ATOM 0 H VAL A 75 3.933 -12.620 3.384 1.00 0.00 H new ATOM 0 HA VAL A 75 3.420 -10.164 2.127 1.00 0.00 H new ATOM 0 HB VAL A 75 3.303 -13.007 1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.653 -11.997 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.115 -11.479 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.512 -10.377 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.590 -12.526 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.524 -10.933 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.476 -12.416 2.024 1.00 0.00 H new ATOM 1259 N ARG A 76 0.845 -12.215 2.428 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.613 -12.258 2.401 1.00 0.00 C ATOM 1261 C ARG A 76 -1.189 -11.151 3.278 1.00 0.00 C ATOM 1262 O ARG A 76 -2.130 -10.469 2.883 1.00 0.00 O ATOM 1263 CB ARG A 76 -1.139 -13.619 2.871 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.658 -13.667 2.973 1.00 0.00 C ATOM 1265 CD ARG A 76 -3.151 -15.009 3.485 1.00 0.00 C ATOM 1266 NE ARG A 76 -2.923 -16.085 2.523 1.00 0.00 N ATOM 1267 CZ ARG A 76 -3.452 -17.303 2.630 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.208 -17.617 3.674 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -3.222 -18.209 1.694 1.00 0.00 N ATOM 0 H ARG A 76 1.288 -13.059 2.790 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.932 -12.106 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.802 -14.391 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.707 -13.853 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.002 -12.876 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.094 -13.470 1.993 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.645 -15.247 4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.216 -14.942 3.707 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.323 -15.892 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.387 -16.924 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.610 -18.551 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.639 -17.975 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.627 -19.141 1.776 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.602 -10.970 4.458 1.00 0.00 N ATOM 1284 CA TYR A 77 -1.053 -9.941 5.387 1.00 0.00 C ATOM 1285 C TYR A 77 -0.945 -8.559 4.750 1.00 0.00 C ATOM 1286 O TYR A 77 -1.893 -7.778 4.786 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.242 -9.990 6.684 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.702 -8.989 7.721 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.859 -9.209 8.459 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.017 -7.826 7.961 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.285 -8.296 9.406 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.402 -6.911 8.907 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.554 -7.148 9.626 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.975 -6.233 10.566 1.00 0.00 O ATOM 0 H TYR A 77 0.187 -11.523 4.792 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.099 -10.134 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.306 -10.993 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.808 -9.807 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.434 -10.107 8.290 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.919 -7.634 7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.187 -8.481 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.171 -6.013 9.083 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.346 -5.482 10.596 1.00 0.00 H new ATOM 1304 N ILE A 78 0.212 -8.266 4.165 1.00 0.00 N ATOM 1305 CA ILE A 78 0.422 -7.004 3.463 1.00 0.00 C ATOM 1306 C ILE A 78 -0.582 -6.853 2.320 1.00 0.00 C ATOM 1307 O ILE A 78 -1.136 -5.776 2.102 1.00 0.00 O ATOM 1308 CB ILE A 78 1.858 -6.906 2.898 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.888 -7.059 4.022 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.063 -5.577 2.178 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.316 -7.144 3.528 1.00 0.00 C ATOM 0 H ILE A 78 1.021 -8.887 4.163 1.00 0.00 H new ATOM 0 HA ILE A 78 0.276 -6.201 4.185 1.00 0.00 H new ATOM 0 HB ILE A 78 1.998 -7.715 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.798 -6.213 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.657 -7.957 4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.080 -5.528 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.354 -5.496 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.902 -4.756 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.989 -7.251 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.423 -8.006 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.566 -6.236 2.980 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.825 -7.948 1.611 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.732 -7.938 0.469 1.00 0.00 C ATOM 1325 C HIS A 79 -3.152 -7.582 0.899 1.00 0.00 C ATOM 1326 O HIS A 79 -3.800 -6.738 0.281 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.732 -9.300 -0.233 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.339 -9.270 -1.605 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.565 -9.825 -1.908 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -1.873 -8.750 -2.764 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -3.820 -9.649 -3.191 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -2.810 -8.998 -3.733 1.00 0.00 N ATOM 0 H HIS A 79 -0.406 -8.857 1.807 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.378 -7.178 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.706 -9.661 -0.307 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.279 -10.016 0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.934 -8.234 -2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.707 -9.982 -3.709 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -2.738 -8.724 -4.713 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.630 -8.215 1.965 1.00 0.00 N ATOM 1342 CA VAL A 80 -5.010 -8.030 2.397 1.00 0.00 C ATOM 1343 C VAL A 80 -5.219 -6.693 3.110 1.00 0.00 C ATOM 1344 O VAL A 80 -6.281 -6.081 2.975 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.502 -9.185 3.298 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -5.462 -10.500 2.540 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.684 -9.282 4.576 1.00 0.00 C ATOM 0 H VAL A 80 -3.086 -8.856 2.542 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.606 -8.030 1.484 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.533 -8.972 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.811 -11.304 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.106 -10.434 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.440 -10.707 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.058 -10.105 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.638 -9.461 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.769 -8.349 5.134 1.00 0.00 H new ATOM 1357 N VAL A 81 -4.216 -6.229 3.852 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.341 -4.958 4.561 1.00 0.00 C ATOM 1359 C VAL A 81 -4.262 -3.785 3.583 1.00 0.00 C ATOM 1360 O VAL A 81 -5.013 -2.817 3.703 1.00 0.00 O ATOM 1361 CB VAL A 81 -3.283 -4.797 5.689 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.870 -4.698 5.131 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.606 -3.588 6.561 1.00 0.00 C ATOM 0 H VAL A 81 -3.322 -6.704 3.977 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.320 -4.959 5.039 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.326 -5.694 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.162 -4.586 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.636 -5.603 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.799 -3.834 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.854 -3.493 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.607 -2.687 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.588 -3.719 7.015 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.375 -3.890 2.594 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.248 -2.859 1.570 1.00 0.00 C ATOM 1375 C LEU A 82 -4.500 -2.843 0.701 1.00 0.00 C ATOM 1376 O LEU A 82 -4.988 -1.783 0.313 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.998 -3.107 0.714 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.700 -2.046 -0.349 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.468 -0.687 0.296 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.491 -2.453 -1.179 1.00 0.00 C ATOM 0 H LEU A 82 -2.736 -4.677 2.482 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.141 -1.887 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.136 -3.183 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.105 -4.072 0.218 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.565 -1.968 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.258 0.052 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.359 -0.390 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.621 -0.748 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.292 -1.689 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.378 -2.558 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.692 -3.404 -1.673 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.024 -4.032 0.422 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.263 -4.177 -0.336 1.00 0.00 C ATOM 1394 C HIS A 83 -7.410 -3.472 0.380 1.00 0.00 C ATOM 1395 O HIS A 83 -8.151 -2.697 -0.225 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.598 -5.665 -0.515 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.867 -5.937 -1.269 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.046 -6.291 -0.652 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -8.127 -5.944 -2.595 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.972 -6.504 -1.566 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.443 -6.303 -2.759 1.00 0.00 N ATOM 0 H HIS A 83 -4.606 -4.916 0.712 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.126 -3.719 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.772 -6.149 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.670 -6.128 0.469 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.427 -5.710 -3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.994 -6.795 -1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.929 -6.398 -3.651 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.530 -3.736 1.674 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.631 -3.215 2.469 1.00 0.00 C ATOM 1412 C GLU A 84 -8.540 -1.703 2.622 1.00 0.00 C ATOM 1413 O GLU A 84 -9.507 -0.984 2.366 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.631 -3.863 3.850 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.952 -3.722 4.577 1.00 0.00 C ATOM 1416 CD GLU A 84 -11.031 -4.597 3.970 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.933 -5.836 4.100 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.970 -4.060 3.346 1.00 0.00 O ATOM 0 H GLU A 84 -6.872 -4.313 2.198 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.558 -3.454 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.392 -4.921 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.842 -3.415 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.818 -3.986 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.272 -2.680 4.549 1.00 0.00 H new ATOM 1425 N ALA A 85 -7.372 -1.225 3.028 1.00 0.00 N ATOM 1426 CA ALA A 85 -7.193 0.187 3.340 1.00 0.00 C ATOM 1427 C ALA A 85 -7.294 1.058 2.090 1.00 0.00 C ATOM 1428 O ALA A 85 -7.760 2.195 2.152 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.861 0.407 4.039 1.00 0.00 C ATOM 0 H ALA A 85 -6.534 -1.794 3.149 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.998 0.485 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.740 1.466 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.837 -0.168 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.050 0.081 3.388 1.00 0.00 H new ATOM 1435 N MET A 86 -6.871 0.521 0.952 1.00 0.00 N ATOM 1436 CA MET A 86 -6.916 1.269 -0.302 1.00 0.00 C ATOM 1437 C MET A 86 -8.336 1.287 -0.871 1.00 0.00 C ATOM 1438 O MET A 86 -8.681 2.146 -1.683 1.00 0.00 O ATOM 1439 CB MET A 86 -5.937 0.677 -1.324 1.00 0.00 C ATOM 1440 CG MET A 86 -5.876 1.451 -2.635 1.00 0.00 C ATOM 1441 SD MET A 86 -4.629 0.812 -3.770 1.00 0.00 S ATOM 1442 CE MET A 86 -3.129 1.173 -2.862 1.00 0.00 C ATOM 0 H MET A 86 -6.495 -0.424 0.870 1.00 0.00 H new ATOM 0 HA MET A 86 -6.616 2.296 -0.094 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.940 0.647 -0.884 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.224 -0.353 -1.534 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.852 1.415 -3.118 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.664 2.499 -2.423 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.281 1.175 -3.547 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.216 2.151 -2.390 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.975 0.413 -2.096 1.00 0.00 H new ATOM 1452 N SER A 87 -9.166 0.354 -0.415 1.00 0.00 N ATOM 1453 CA SER A 87 -10.536 0.256 -0.900 1.00 0.00 C ATOM 1454 C SER A 87 -11.323 1.529 -0.601 1.00 0.00 C ATOM 1455 O SER A 87 -12.103 1.987 -1.432 1.00 0.00 O ATOM 1456 CB SER A 87 -11.248 -0.954 -0.290 1.00 0.00 C ATOM 1457 OG SER A 87 -10.661 -2.165 -0.733 1.00 0.00 O ATOM 0 H SER A 87 -8.914 -0.342 0.287 1.00 0.00 H new ATOM 0 HA SER A 87 -10.489 0.127 -1.981 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.200 -0.899 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.303 -0.936 -0.563 1.00 0.00 H new ATOM 0 HG SER A 87 -9.686 -2.102 -0.659 1.00 0.00 H new ATOM 1463 N GLN A 88 -11.099 2.118 0.570 1.00 0.00 N ATOM 1464 CA GLN A 88 -11.843 3.312 0.971 1.00 0.00 C ATOM 1465 C GLN A 88 -11.517 4.494 0.058 1.00 0.00 C ATOM 1466 O GLN A 88 -12.329 5.405 -0.104 1.00 0.00 O ATOM 1467 CB GLN A 88 -11.561 3.677 2.431 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.130 4.114 2.704 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.920 4.518 4.148 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.579 4.005 5.048 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -8.998 5.439 4.382 1.00 0.00 N ATOM 0 H GLN A 88 -10.415 1.793 1.254 1.00 0.00 H new ATOM 0 HA GLN A 88 -12.904 3.083 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.236 4.479 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.791 2.816 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.450 3.300 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.878 4.952 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.471 5.842 3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.815 5.746 5.337 1.00 0.00 H new ATOM 1480 N ALA A 89 -10.332 4.469 -0.544 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.936 5.504 -1.489 1.00 0.00 C ATOM 1482 C ALA A 89 -10.659 5.293 -2.812 1.00 0.00 C ATOM 1483 O ALA A 89 -11.084 6.249 -3.465 1.00 0.00 O ATOM 1484 CB ALA A 89 -8.426 5.502 -1.688 1.00 0.00 C ATOM 0 H ALA A 89 -9.631 3.744 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.216 6.478 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.151 6.283 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.933 5.689 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.111 4.533 -2.075 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.822 4.031 -3.184 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.575 3.679 -4.378 1.00 0.00 C ATOM 1492 C ARG A 90 -13.040 4.064 -4.202 1.00 0.00 C ATOM 1493 O ARG A 90 -13.627 4.736 -5.048 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.463 2.179 -4.668 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.192 1.751 -5.934 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.205 0.240 -6.089 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.013 -0.400 -5.048 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.053 -1.711 -4.811 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -12.359 -2.557 -5.562 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -13.811 -2.172 -3.826 1.00 0.00 N ATOM 0 H ARG A 90 -10.442 3.233 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.157 4.227 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.410 1.911 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.864 1.622 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.216 2.123 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.711 2.202 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.600 -0.023 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.184 -0.140 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.588 0.203 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.787 -2.206 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.398 -3.558 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.357 -1.525 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.848 -3.174 -3.637 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.613 3.654 -3.078 1.00 0.00 N ATOM 1515 CA GLU A 91 -15.013 3.928 -2.780 1.00 0.00 C ATOM 1516 C GLU A 91 -15.261 5.428 -2.656 1.00 0.00 C ATOM 1517 O GLU A 91 -16.350 5.909 -2.962 1.00 0.00 O ATOM 1518 CB GLU A 91 -15.433 3.226 -1.488 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.081 1.748 -1.451 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.621 0.987 -2.640 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.817 0.639 -2.639 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.849 0.734 -3.586 1.00 0.00 O ATOM 0 H GLU A 91 -13.126 3.127 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.612 3.543 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.957 3.725 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.510 3.337 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.997 1.638 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.475 1.308 -0.535 1.00 0.00 H new ATOM 1529 N SER A 92 -14.235 6.158 -2.221 1.00 0.00 N ATOM 1530 CA SER A 92 -14.323 7.606 -2.058 1.00 0.00 C ATOM 1531 C SER A 92 -14.510 8.293 -3.409 1.00 0.00 C ATOM 1532 O SER A 92 -15.014 9.417 -3.480 1.00 0.00 O ATOM 1533 CB SER A 92 -13.063 8.134 -1.361 1.00 0.00 C ATOM 1534 OG SER A 92 -13.174 9.514 -1.050 1.00 0.00 O ATOM 0 H SER A 92 -13.327 5.765 -1.974 1.00 0.00 H new ATOM 0 HA SER A 92 -15.191 7.832 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.889 7.568 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.198 7.974 -2.004 1.00 0.00 H new ATOM 0 HG SER A 92 -12.354 9.816 -0.606 1.00 0.00 H new ATOM 1540 N GLY A 93 -14.108 7.616 -4.477 1.00 0.00 N ATOM 1541 CA GLY A 93 -14.286 8.159 -5.806 1.00 0.00 C ATOM 1542 C GLY A 93 -12.999 8.697 -6.394 1.00 0.00 C ATOM 1543 O GLY A 93 -12.904 8.915 -7.603 1.00 0.00 O ATOM 0 H GLY A 93 -13.661 6.700 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.684 7.384 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.027 8.958 -5.772 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.999 8.901 -5.545 1.00 0.00 N ATOM 1548 CA LEU A 94 -10.724 9.443 -5.996 1.00 0.00 C ATOM 1549 C LEU A 94 -9.934 8.373 -6.743 1.00 0.00 C ATOM 1550 O LEU A 94 -9.015 8.675 -7.499 1.00 0.00 O ATOM 1551 CB LEU A 94 -9.923 10.002 -4.805 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.438 8.981 -3.765 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -8.090 8.393 -4.162 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.349 9.625 -2.389 1.00 0.00 C ATOM 0 H LEU A 94 -12.046 8.701 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.913 10.267 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.053 10.529 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.541 10.741 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.164 8.169 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.771 7.673 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.181 7.892 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.352 9.192 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.004 8.888 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.647 10.458 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.333 9.991 -2.094 1.00 0.00 H new ATOM 1566 N LEU A 95 -10.309 7.125 -6.521 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.670 6.003 -7.184 1.00 0.00 C ATOM 1568 C LEU A 95 -10.732 5.096 -7.792 1.00 0.00 C ATOM 1569 O LEU A 95 -11.726 4.773 -7.146 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.804 5.232 -6.183 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.953 4.102 -6.765 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.994 4.638 -7.818 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -7.187 3.401 -5.650 1.00 0.00 C ATOM 0 H LEU A 95 -11.059 6.863 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.027 6.369 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.141 5.940 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.456 4.812 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.613 3.380 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.398 3.818 -8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.562 5.102 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.334 5.378 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.583 2.598 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.537 4.118 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.892 2.985 -4.930 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.536 4.712 -9.040 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.509 3.883 -9.740 1.00 0.00 C ATOM 1587 C LEU A 96 -11.127 2.406 -9.688 1.00 0.00 C ATOM 1588 O LEU A 96 -11.991 1.532 -9.723 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.655 4.327 -11.201 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.366 4.307 -12.031 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -10.687 4.106 -13.501 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.579 5.596 -11.843 1.00 0.00 C ATOM 0 H LEU A 96 -9.714 4.959 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.465 4.010 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.388 3.683 -11.686 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.060 5.339 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.754 3.475 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.762 4.094 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.209 3.158 -13.633 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.321 4.921 -13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.669 5.557 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.187 6.443 -12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.317 5.712 -10.791 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.836 2.130 -9.598 1.00 0.00 N ATOM 1605 CA GLN A 97 -9.346 0.756 -9.640 1.00 0.00 C ATOM 1606 C GLN A 97 -8.810 0.337 -8.282 1.00 0.00 C ATOM 1607 O GLN A 97 -8.379 1.177 -7.500 1.00 0.00 O ATOM 1608 CB GLN A 97 -8.222 0.617 -10.671 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.629 0.930 -12.100 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.447 0.899 -13.046 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.114 -0.139 -13.615 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -6.794 2.038 -13.208 1.00 0.00 N ATOM 0 H GLN A 97 -9.107 2.836 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.183 0.115 -9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.404 1.279 -10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.836 -0.402 -10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.377 0.209 -12.430 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.097 1.914 -12.137 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.103 2.877 -12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.982 2.077 -13.824 1.00 0.00 H new ATOM 1621 N ASN A 98 -8.844 -0.954 -7.998 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.151 -1.483 -6.835 1.00 0.00 C ATOM 1623 C ASN A 98 -6.967 -2.313 -7.314 1.00 0.00 C ATOM 1624 O ASN A 98 -7.112 -3.493 -7.640 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.090 -2.332 -5.970 1.00 0.00 C ATOM 1626 CG ASN A 98 -8.573 -2.513 -4.556 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -7.367 -2.501 -4.314 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -9.489 -2.682 -3.612 1.00 0.00 N ATOM 0 H ASN A 98 -9.341 -1.651 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.800 -0.657 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.073 -1.861 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.221 -3.310 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.203 -2.809 -2.641 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.479 -2.685 -3.857 1.00 0.00 H new ATOM 1635 N PRO A 99 -5.781 -1.696 -7.385 1.00 0.00 N ATOM 1636 CA PRO A 99 -4.592 -2.311 -7.978 1.00 0.00 C ATOM 1637 C PRO A 99 -3.969 -3.385 -7.095 1.00 0.00 C ATOM 1638 O PRO A 99 -3.208 -4.224 -7.576 1.00 0.00 O ATOM 1639 CB PRO A 99 -3.620 -1.133 -8.154 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.407 0.099 -7.840 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.501 -0.335 -6.913 1.00 0.00 C ATOM 0 HA PRO A 99 -4.837 -2.825 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.764 -1.230 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.229 -1.098 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.777 0.856 -7.373 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.817 0.542 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.181 -0.323 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.377 0.310 -6.986 1.00 0.00 H new ATOM 1649 N THR A 100 -4.302 -3.364 -5.813 1.00 0.00 N ATOM 1650 CA THR A 100 -3.717 -4.295 -4.858 1.00 0.00 C ATOM 1651 C THR A 100 -4.096 -5.736 -5.185 1.00 0.00 C ATOM 1652 O THR A 100 -3.270 -6.644 -5.097 1.00 0.00 O ATOM 1653 CB THR A 100 -4.160 -3.973 -3.420 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.582 -4.095 -3.306 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.740 -2.567 -3.029 1.00 0.00 C ATOM 0 H THR A 100 -4.975 -2.712 -5.409 1.00 0.00 H new ATOM 0 HA THR A 100 -2.635 -4.184 -4.932 1.00 0.00 H new ATOM 0 HB THR A 100 -3.678 -4.683 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.015 -3.466 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.064 -2.361 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.655 -2.481 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.199 -1.848 -3.707 1.00 0.00 H new ATOM 1663 N GLU A 101 -5.343 -5.936 -5.581 1.00 0.00 N ATOM 1664 CA GLU A 101 -5.847 -7.267 -5.862 1.00 0.00 C ATOM 1665 C GLU A 101 -5.518 -7.669 -7.294 1.00 0.00 C ATOM 1666 O GLU A 101 -5.420 -8.853 -7.611 1.00 0.00 O ATOM 1667 CB GLU A 101 -7.349 -7.314 -5.601 1.00 0.00 C ATOM 1668 CG GLU A 101 -7.965 -8.692 -5.757 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.148 -8.896 -4.838 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.060 -8.044 -4.834 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -9.166 -9.909 -4.109 1.00 0.00 O ATOM 0 H GLU A 101 -6.025 -5.190 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.362 -7.984 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.542 -6.954 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.847 -6.626 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.282 -8.832 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.211 -9.451 -5.549 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.332 -6.675 -8.153 1.00 0.00 N ATOM 1679 CA ALA A 102 -4.914 -6.930 -9.525 1.00 0.00 C ATOM 1680 C ALA A 102 -3.465 -7.401 -9.542 1.00 0.00 C ATOM 1681 O ALA A 102 -3.034 -8.133 -10.435 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.084 -5.679 -10.370 1.00 0.00 C ATOM 0 H ALA A 102 -5.463 -5.689 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.541 -7.713 -9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.768 -5.885 -11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.132 -5.378 -10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.475 -4.875 -9.957 1.00 0.00 H new ATOM 1688 N ALA A 103 -2.724 -6.973 -8.532 1.00 0.00 N ATOM 1689 CA ALA A 103 -1.345 -7.383 -8.357 1.00 0.00 C ATOM 1690 C ALA A 103 -1.275 -8.663 -7.543 1.00 0.00 C ATOM 1691 O ALA A 103 -1.323 -8.639 -6.311 1.00 0.00 O ATOM 1692 CB ALA A 103 -0.548 -6.282 -7.677 1.00 0.00 C ATOM 0 H ALA A 103 -3.063 -6.333 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.911 -7.570 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.486 -6.605 -7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.575 -5.381 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.982 -6.069 -6.700 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.189 -9.785 -8.233 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.113 -11.069 -7.569 1.00 0.00 C ATOM 1700 C LYS A 104 0.045 -11.890 -8.116 1.00 0.00 C ATOM 1701 O LYS A 104 -0.072 -12.513 -9.173 1.00 0.00 O ATOM 1702 CB LYS A 104 -2.418 -11.848 -7.744 1.00 0.00 C ATOM 1703 CG LYS A 104 -2.448 -13.160 -6.971 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.561 -14.072 -7.459 1.00 0.00 C ATOM 1705 CE LYS A 104 -3.341 -14.480 -8.907 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.367 -15.443 -9.380 1.00 0.00 N ATOM 0 H LYS A 104 -1.170 -9.831 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.949 -10.885 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.251 -11.224 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.569 -12.056 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.489 -13.667 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.585 -12.954 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.608 -14.961 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.520 -13.563 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.359 -13.593 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.352 -14.925 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.178 -15.693 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.334 -16.302 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.310 -15.010 -9.306 1.00 0.00 H new