USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 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 HE2:sc= 0.61 K(o=4,f=-1.6!) USER MOD Set 1.2: A 87 SER OG : rot 93:sc= 1.97 USER MOD Set 1.3: A 100 THR OG1 : rot -159:sc= 1.47 USER MOD Set 2.1: A 62 TYR OH : rot 150:sc= -2.05! USER MOD Set 2.2: A 79 HIS : no HD1:sc= -0.384 X(o=-2.4,f=-2) USER MOD Single : A 8 THR OG1 : rot -46:sc= -0.138 USER MOD Single : A 11 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.012) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 32 SER OG : rot 36:sc= 0.161 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 HD1:sc= -9.43! C(o=-9.4!,f=-6.2!) USER MOD Single : A 44 THR OG1 : rot -129:sc= 0.0305 USER MOD Single : A 47 SER OG : rot -41:sc= 0.146 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00629) USER MOD Single : A 52 LYS NZ :NH3+ -125:sc= 0.409 (180deg=0.113) USER MOD Single : A 54 GLN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.601 K(o=-0.6,f=-1.7!) USER MOD Single : A 64 SER OG : rot 81:sc= 0.454 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=0.000425 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -131:sc= -1.31 (180deg=-1.72) USER MOD Single : A 88 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.11) USER MOD Single : A 92 SER OG : rot 88:sc= 1.3 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 98 ASN : amide:sc= 0.0464 K(o=0.046,f=-5.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 0.064 12.215 -4.447 1.00 0.00 N ATOM 121 CA THR A 8 0.913 11.069 -4.181 1.00 0.00 C ATOM 122 C THR A 8 0.330 10.202 -3.073 1.00 0.00 C ATOM 123 O THR A 8 -0.564 10.635 -2.335 1.00 0.00 O ATOM 124 CB THR A 8 2.322 11.525 -3.773 1.00 0.00 C ATOM 125 OG1 THR A 8 2.226 12.486 -2.714 1.00 0.00 O ATOM 126 CG2 THR A 8 3.062 12.135 -4.955 1.00 0.00 C ATOM 0 HA THR A 8 0.970 10.483 -5.098 1.00 0.00 H new ATOM 0 HB THR A 8 2.882 10.654 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.532 13.143 -2.931 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.057 12.449 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.151 11.394 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.509 12.999 -5.324 1.00 0.00 H new ATOM 134 N VAL A 9 0.838 8.980 -2.962 1.00 0.00 N ATOM 135 CA VAL A 9 0.413 8.067 -1.912 1.00 0.00 C ATOM 136 C VAL A 9 0.731 8.649 -0.539 1.00 0.00 C ATOM 137 O VAL A 9 -0.131 8.691 0.335 1.00 0.00 O ATOM 138 CB VAL A 9 1.084 6.682 -2.051 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.653 5.754 -0.923 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.758 6.062 -3.404 1.00 0.00 C ATOM 0 H VAL A 9 1.547 8.599 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.664 7.937 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 9 2.163 6.821 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.139 4.786 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.940 6.188 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.429 5.624 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.239 5.087 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.321 5.942 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.122 6.712 -4.199 1.00 0.00 H new ATOM 150 N GLU A 10 1.960 9.131 -0.371 1.00 0.00 N ATOM 151 CA GLU A 10 2.411 9.659 0.913 1.00 0.00 C ATOM 152 C GLU A 10 1.554 10.845 1.361 1.00 0.00 C ATOM 153 O GLU A 10 1.277 11.008 2.548 1.00 0.00 O ATOM 154 CB GLU A 10 3.886 10.069 0.843 1.00 0.00 C ATOM 155 CG GLU A 10 4.171 11.189 -0.147 1.00 0.00 C ATOM 156 CD GLU A 10 5.636 11.566 -0.205 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.085 12.373 0.636 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.348 11.072 -1.100 1.00 0.00 O ATOM 0 H GLU A 10 2.662 9.167 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 10 2.302 8.864 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.213 10.383 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.482 9.198 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.840 10.883 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.586 12.067 0.127 1.00 0.00 H new ATOM 165 N GLN A 11 1.123 11.663 0.406 1.00 0.00 N ATOM 166 CA GLN A 11 0.329 12.844 0.716 1.00 0.00 C ATOM 167 C GLN A 11 -1.045 12.443 1.248 1.00 0.00 C ATOM 168 O GLN A 11 -1.517 12.982 2.248 1.00 0.00 O ATOM 169 CB GLN A 11 0.181 13.726 -0.526 1.00 0.00 C ATOM 170 CG GLN A 11 -0.353 15.116 -0.224 1.00 0.00 C ATOM 171 CD GLN A 11 -0.518 15.963 -1.468 1.00 0.00 C ATOM 172 OE1 GLN A 11 -0.369 17.186 -1.427 1.00 0.00 O ATOM 173 NE2 GLN A 11 -0.828 15.321 -2.581 1.00 0.00 N ATOM 0 H GLN A 11 1.311 11.529 -0.588 1.00 0.00 H new ATOM 0 HA GLN A 11 0.845 13.413 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.151 13.817 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.487 13.235 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.315 15.029 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.325 15.619 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.942 14.307 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.953 15.839 -3.451 1.00 0.00 H new ATOM 182 N TRP A 12 -1.676 11.483 0.582 1.00 0.00 N ATOM 183 CA TRP A 12 -2.983 10.996 1.004 1.00 0.00 C ATOM 184 C TRP A 12 -2.862 10.178 2.286 1.00 0.00 C ATOM 185 O TRP A 12 -3.618 10.387 3.236 1.00 0.00 O ATOM 186 CB TRP A 12 -3.632 10.151 -0.102 1.00 0.00 C ATOM 187 CG TRP A 12 -4.959 9.559 0.292 1.00 0.00 C ATOM 188 CD1 TRP A 12 -6.187 10.157 0.209 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.189 8.250 0.830 1.00 0.00 C ATOM 190 NE1 TRP A 12 -7.161 9.303 0.674 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.573 8.128 1.059 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.357 7.172 1.143 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.140 6.973 1.587 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.922 6.025 1.666 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.302 5.933 1.884 1.00 0.00 C ATOM 0 H TRP A 12 -1.304 11.027 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.619 11.860 1.199 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.769 10.771 -0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.952 9.345 -0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.366 11.154 -0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.158 9.511 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.291 7.234 0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.204 6.900 1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.289 5.185 1.911 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.713 5.023 2.295 1.00 0.00 H new ATOM 206 N LEU A 13 -1.894 9.268 2.302 1.00 0.00 N ATOM 207 CA LEU A 13 -1.717 8.326 3.403 1.00 0.00 C ATOM 208 C LEU A 13 -1.467 9.061 4.718 1.00 0.00 C ATOM 209 O LEU A 13 -2.157 8.817 5.711 1.00 0.00 O ATOM 210 CB LEU A 13 -0.555 7.370 3.075 1.00 0.00 C ATOM 211 CG LEU A 13 -0.465 6.079 3.905 1.00 0.00 C ATOM 212 CD1 LEU A 13 0.113 6.344 5.287 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.833 5.419 4.016 1.00 0.00 C ATOM 0 H LEU A 13 -1.210 9.162 1.553 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.632 7.746 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.629 7.093 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.380 7.917 3.196 1.00 0.00 H new ATOM 0 HG LEU A 13 0.211 5.399 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.162 5.410 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.115 6.761 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.524 7.052 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.750 4.507 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.529 6.103 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.201 5.174 3.020 1.00 0.00 H new ATOM 225 N ASN A 14 -0.494 9.967 4.717 1.00 0.00 N ATOM 226 CA ASN A 14 -0.130 10.696 5.929 1.00 0.00 C ATOM 227 C ASN A 14 -1.307 11.517 6.444 1.00 0.00 C ATOM 228 O ASN A 14 -1.592 11.522 7.644 1.00 0.00 O ATOM 229 CB ASN A 14 1.077 11.607 5.674 1.00 0.00 C ATOM 230 CG ASN A 14 1.530 12.332 6.929 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.080 13.441 7.221 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.436 11.715 7.674 1.00 0.00 N ATOM 0 H ASN A 14 0.055 10.214 3.894 1.00 0.00 H new ATOM 0 HA ASN A 14 0.141 9.964 6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.902 11.011 5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.821 12.338 4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.785 12.158 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.784 10.797 7.398 1.00 0.00 H new ATOM 239 N ARG A 15 -2.006 12.190 5.535 1.00 0.00 N ATOM 240 CA ARG A 15 -3.145 13.021 5.912 1.00 0.00 C ATOM 241 C ARG A 15 -4.267 12.163 6.497 1.00 0.00 C ATOM 242 O ARG A 15 -4.865 12.519 7.514 1.00 0.00 O ATOM 243 CB ARG A 15 -3.669 13.806 4.711 1.00 0.00 C ATOM 244 CG ARG A 15 -4.581 14.962 5.093 1.00 0.00 C ATOM 245 CD ARG A 15 -5.277 15.559 3.880 1.00 0.00 C ATOM 246 NE ARG A 15 -4.365 15.746 2.750 1.00 0.00 N ATOM 247 CZ ARG A 15 -3.651 16.849 2.529 1.00 0.00 C ATOM 248 NH1 ARG A 15 -3.684 17.859 3.394 1.00 0.00 N ATOM 249 NH2 ARG A 15 -2.902 16.935 1.439 1.00 0.00 N ATOM 0 H ARG A 15 -1.805 12.177 4.535 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.806 13.727 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.823 14.193 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.212 13.128 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.329 14.614 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.998 15.735 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.097 14.908 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.716 16.519 4.152 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.270 14.978 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.259 17.793 4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.134 18.700 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.875 16.160 0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.353 17.776 1.263 1.00 0.00 H new ATOM 263 N TRP A 16 -4.530 11.026 5.854 1.00 0.00 N ATOM 264 CA TRP A 16 -5.556 10.097 6.315 1.00 0.00 C ATOM 265 C TRP A 16 -5.247 9.642 7.734 1.00 0.00 C ATOM 266 O TRP A 16 -6.102 9.697 8.616 1.00 0.00 O ATOM 267 CB TRP A 16 -5.632 8.888 5.375 1.00 0.00 C ATOM 268 CG TRP A 16 -6.719 7.911 5.725 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.648 6.893 6.636 1.00 0.00 C ATOM 270 CD2 TRP A 16 -8.035 7.855 5.164 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.842 6.214 6.677 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.707 6.782 5.780 1.00 0.00 C ATOM 273 CE3 TRP A 16 -8.713 8.608 4.199 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -10.022 6.445 5.465 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -10.017 8.272 3.886 1.00 0.00 C ATOM 276 CH2 TRP A 16 -10.659 7.199 4.516 1.00 0.00 C ATOM 0 H TRP A 16 -4.043 10.727 5.009 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.521 10.604 6.311 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.789 9.242 4.356 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.673 8.370 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.781 6.657 7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.050 5.417 7.278 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.226 9.437 3.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.520 5.620 5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.550 8.847 3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.678 6.961 4.248 1.00 0.00 H new ATOM 541 N SER A 32 -0.307 -1.605 14.623 1.00 0.00 N ATOM 542 CA SER A 32 0.355 -2.561 13.752 1.00 0.00 C ATOM 543 C SER A 32 0.031 -2.247 12.292 1.00 0.00 C ATOM 544 O SER A 32 0.881 -2.384 11.411 1.00 0.00 O ATOM 545 CB SER A 32 -0.081 -3.985 14.100 1.00 0.00 C ATOM 546 OG SER A 32 0.094 -4.241 15.485 1.00 0.00 O ATOM 0 HA SER A 32 1.433 -2.485 13.897 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.127 -4.126 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.499 -4.701 13.517 1.00 0.00 H new ATOM 0 HG SER A 32 -0.109 -3.430 15.996 1.00 0.00 H new ATOM 552 N TYR A 33 -1.202 -1.801 12.051 1.00 0.00 N ATOM 553 CA TYR A 33 -1.636 -1.414 10.713 1.00 0.00 C ATOM 554 C TYR A 33 -0.834 -0.216 10.230 1.00 0.00 C ATOM 555 O TYR A 33 -0.315 -0.209 9.114 1.00 0.00 O ATOM 556 CB TYR A 33 -3.131 -1.074 10.704 1.00 0.00 C ATOM 557 CG TYR A 33 -4.043 -2.267 10.886 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.252 -2.830 12.139 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.698 -2.826 9.799 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.088 -3.918 12.302 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.537 -3.912 9.950 1.00 0.00 C ATOM 562 CZ TYR A 33 -5.729 -4.456 11.205 1.00 0.00 C ATOM 563 OH TYR A 33 -6.563 -5.543 11.366 1.00 0.00 O ATOM 0 H TYR A 33 -1.919 -1.699 12.770 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.466 -2.256 10.042 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.332 -0.354 11.497 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.375 -0.586 9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.753 -2.410 13.000 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.549 -2.404 8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.239 -4.345 13.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.040 -4.334 9.092 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.937 -5.800 10.497 1.00 0.00 H new ATOM 573 N GLU A 34 -0.723 0.781 11.100 1.00 0.00 N ATOM 574 CA GLU A 34 0.016 2.003 10.798 1.00 0.00 C ATOM 575 C GLU A 34 1.458 1.669 10.426 1.00 0.00 C ATOM 576 O GLU A 34 1.999 2.198 9.456 1.00 0.00 O ATOM 577 CB GLU A 34 -0.028 2.946 12.013 1.00 0.00 C ATOM 578 CG GLU A 34 0.431 4.374 11.731 1.00 0.00 C ATOM 579 CD GLU A 34 1.862 4.651 12.159 1.00 0.00 C ATOM 580 OE1 GLU A 34 2.091 4.888 13.367 1.00 0.00 O ATOM 581 OE2 GLU A 34 2.759 4.669 11.293 1.00 0.00 O ATOM 0 H GLU A 34 -1.140 0.767 12.031 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.447 2.504 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.048 2.976 12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.596 2.528 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.335 4.573 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.234 5.068 12.245 1.00 0.00 H new ATOM 588 N THR A 35 2.055 0.750 11.175 1.00 0.00 N ATOM 589 CA THR A 35 3.453 0.402 10.983 1.00 0.00 C ATOM 590 C THR A 35 3.683 -0.404 9.700 1.00 0.00 C ATOM 591 O THR A 35 4.586 -0.084 8.934 1.00 0.00 O ATOM 592 CB THR A 35 4.008 -0.377 12.188 1.00 0.00 C ATOM 593 OG1 THR A 35 3.740 0.343 13.401 1.00 0.00 O ATOM 594 CG2 THR A 35 5.510 -0.587 12.046 1.00 0.00 C ATOM 0 H THR A 35 1.590 0.233 11.921 1.00 0.00 H new ATOM 0 HA THR A 35 3.990 1.346 10.890 1.00 0.00 H new ATOM 0 HB THR A 35 3.518 -1.350 12.223 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.094 -0.159 14.164 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.883 -1.140 12.908 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.714 -1.152 11.137 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.009 0.380 11.992 1.00 0.00 H new ATOM 602 N VAL A 36 2.875 -1.440 9.450 1.00 0.00 N ATOM 603 CA VAL A 36 3.098 -2.279 8.269 1.00 0.00 C ATOM 604 C VAL A 36 2.862 -1.497 6.983 1.00 0.00 C ATOM 605 O VAL A 36 3.608 -1.653 6.015 1.00 0.00 O ATOM 606 CB VAL A 36 2.248 -3.572 8.254 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.669 -4.498 9.382 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.758 -3.271 8.334 1.00 0.00 C ATOM 0 H VAL A 36 2.082 -1.712 10.031 1.00 0.00 H new ATOM 0 HA VAL A 36 4.143 -2.584 8.328 1.00 0.00 H new ATOM 0 HB VAL A 36 2.428 -4.073 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.061 -5.402 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.719 -4.763 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.529 -3.994 10.338 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.197 -4.205 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.545 -2.733 9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.464 -2.659 7.481 1.00 0.00 H new ATOM 618 N LEU A 37 1.835 -0.650 6.976 1.00 0.00 N ATOM 619 CA LEU A 37 1.569 0.213 5.833 1.00 0.00 C ATOM 620 C LEU A 37 2.757 1.127 5.598 1.00 0.00 C ATOM 621 O LEU A 37 3.333 1.151 4.507 1.00 0.00 O ATOM 622 CB LEU A 37 0.304 1.041 6.068 1.00 0.00 C ATOM 623 CG LEU A 37 -0.997 0.237 6.118 1.00 0.00 C ATOM 624 CD1 LEU A 37 -2.145 1.116 6.581 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.304 -0.365 4.755 1.00 0.00 C ATOM 0 H LEU A 37 1.176 -0.545 7.748 1.00 0.00 H new ATOM 0 HA LEU A 37 1.413 -0.408 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.413 1.585 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.223 1.785 5.276 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.873 -0.576 6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.063 0.529 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.928 1.503 7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.269 1.948 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.233 -0.933 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.409 0.433 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.490 -1.027 4.458 1.00 0.00 H new ATOM 637 N ARG A 38 3.127 1.847 6.649 1.00 0.00 N ATOM 638 CA ARG A 38 4.304 2.705 6.652 1.00 0.00 C ATOM 639 C ARG A 38 5.518 1.973 6.099 1.00 0.00 C ATOM 640 O ARG A 38 6.136 2.407 5.125 1.00 0.00 O ATOM 641 CB ARG A 38 4.576 3.152 8.095 1.00 0.00 C ATOM 642 CG ARG A 38 6.042 3.391 8.419 1.00 0.00 C ATOM 643 CD ARG A 38 6.255 3.580 9.911 1.00 0.00 C ATOM 644 NE ARG A 38 5.369 4.596 10.473 1.00 0.00 N ATOM 645 CZ ARG A 38 5.786 5.746 10.992 1.00 0.00 C ATOM 646 NH1 ARG A 38 7.074 6.058 10.993 1.00 0.00 N ATOM 647 NH2 ARG A 38 4.902 6.586 11.499 1.00 0.00 N ATOM 0 H ARG A 38 2.614 1.852 7.531 1.00 0.00 H new ATOM 0 HA ARG A 38 4.119 3.569 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.021 4.070 8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.186 2.395 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.636 2.547 8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.395 4.273 7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.088 2.632 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.291 3.863 10.095 1.00 0.00 H new ATOM 0 HE ARG A 38 4.366 4.411 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.755 5.413 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.384 6.943 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.910 6.349 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.211 7.471 11.900 1.00 0.00 H new ATOM 661 N LEU A 39 5.807 0.835 6.706 1.00 0.00 N ATOM 662 CA LEU A 39 7.032 0.101 6.460 1.00 0.00 C ATOM 663 C LEU A 39 7.156 -0.352 5.010 1.00 0.00 C ATOM 664 O LEU A 39 8.251 -0.364 4.449 1.00 0.00 O ATOM 665 CB LEU A 39 7.085 -1.122 7.381 1.00 0.00 C ATOM 666 CG LEU A 39 8.380 -1.934 7.330 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.529 -1.131 7.908 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.215 -3.251 8.077 1.00 0.00 C ATOM 0 H LEU A 39 5.192 0.392 7.389 1.00 0.00 H new ATOM 0 HA LEU A 39 7.865 0.773 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.927 -0.789 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.254 -1.781 7.128 1.00 0.00 H new ATOM 0 HG LEU A 39 8.607 -2.159 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.444 -1.722 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.660 -0.216 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.310 -0.877 8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.146 -3.815 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.965 -3.050 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.415 -3.832 7.618 1.00 0.00 H new ATOM 680 N HIS A 40 6.042 -0.723 4.394 1.00 0.00 N ATOM 681 CA HIS A 40 6.113 -1.381 3.099 1.00 0.00 C ATOM 682 C HIS A 40 5.878 -0.432 1.924 1.00 0.00 C ATOM 683 O HIS A 40 6.544 -0.559 0.901 1.00 0.00 O ATOM 684 CB HIS A 40 5.145 -2.579 3.025 1.00 0.00 C ATOM 685 CG HIS A 40 3.735 -2.253 2.607 1.00 0.00 C ATOM 686 ND1 HIS A 40 3.320 -2.286 1.292 1.00 0.00 N ATOM 687 CD2 HIS A 40 2.641 -1.920 3.331 1.00 0.00 C ATOM 688 CE1 HIS A 40 2.036 -1.987 1.228 1.00 0.00 C ATOM 689 NE2 HIS A 40 1.600 -1.761 2.451 1.00 0.00 N ATOM 0 H HIS A 40 5.100 -0.584 4.760 1.00 0.00 H new ATOM 0 HA HIS A 40 7.136 -1.746 3.008 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.552 -3.309 2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.113 -3.058 4.004 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.596 -1.801 4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.443 -1.936 0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.644 -1.509 2.703 1.00 0.00 H new ATOM 698 N VAL A 41 4.931 0.492 2.040 1.00 0.00 N ATOM 699 CA VAL A 41 4.516 1.256 0.865 1.00 0.00 C ATOM 700 C VAL A 41 5.098 2.669 0.819 1.00 0.00 C ATOM 701 O VAL A 41 5.333 3.196 -0.265 1.00 0.00 O ATOM 702 CB VAL A 41 2.977 1.302 0.715 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.328 2.135 1.807 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.584 1.806 -0.667 1.00 0.00 C ATOM 0 H VAL A 41 4.447 0.727 2.907 1.00 0.00 H new ATOM 0 HA VAL A 41 4.931 0.714 0.015 1.00 0.00 H new ATOM 0 HB VAL A 41 2.606 0.283 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.247 2.142 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.564 1.706 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.707 3.156 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.497 1.830 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.982 2.810 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.991 1.139 -1.427 1.00 0.00 H new ATOM 714 N ILE A 42 5.350 3.279 1.973 1.00 0.00 N ATOM 715 CA ILE A 42 5.820 4.665 1.994 1.00 0.00 C ATOM 716 C ILE A 42 7.175 4.824 1.286 1.00 0.00 C ATOM 717 O ILE A 42 7.284 5.614 0.350 1.00 0.00 O ATOM 718 CB ILE A 42 5.892 5.246 3.429 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.486 5.320 4.036 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.541 6.626 3.420 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.449 5.947 5.412 1.00 0.00 C ATOM 0 H ILE A 42 5.240 2.848 2.891 1.00 0.00 H new ATOM 0 HA ILE A 42 5.076 5.239 1.441 1.00 0.00 H new ATOM 0 HB ILE A 42 6.506 4.586 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.842 5.892 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.072 4.313 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.582 7.016 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.552 6.550 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.954 7.300 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.422 5.965 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.066 5.363 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.832 6.966 5.358 1.00 0.00 H new ATOM 733 N PRO A 43 8.220 4.069 1.689 1.00 0.00 N ATOM 734 CA PRO A 43 9.545 4.179 1.062 1.00 0.00 C ATOM 735 C PRO A 43 9.585 3.614 -0.361 1.00 0.00 C ATOM 736 O PRO A 43 10.557 3.818 -1.092 1.00 0.00 O ATOM 737 CB PRO A 43 10.446 3.357 1.987 1.00 0.00 C ATOM 738 CG PRO A 43 9.534 2.376 2.634 1.00 0.00 C ATOM 739 CD PRO A 43 8.215 3.080 2.787 1.00 0.00 C ATOM 0 HA PRO A 43 9.849 5.220 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.234 2.854 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.935 3.990 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.430 1.479 2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.923 2.060 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.378 2.387 2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.128 3.562 3.761 1.00 0.00 H new ATOM 747 N THR A 44 8.533 2.909 -0.761 1.00 0.00 N ATOM 748 CA THR A 44 8.504 2.279 -2.074 1.00 0.00 C ATOM 749 C THR A 44 7.666 3.079 -3.067 1.00 0.00 C ATOM 750 O THR A 44 8.193 3.653 -4.021 1.00 0.00 O ATOM 751 CB THR A 44 7.961 0.836 -1.994 1.00 0.00 C ATOM 752 OG1 THR A 44 6.702 0.816 -1.312 1.00 0.00 O ATOM 753 CG2 THR A 44 8.941 -0.074 -1.273 1.00 0.00 C ATOM 0 H THR A 44 7.695 2.760 -0.199 1.00 0.00 H new ATOM 0 HA THR A 44 9.535 2.253 -2.428 1.00 0.00 H new ATOM 0 HB THR A 44 7.828 0.471 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.728 0.146 -0.597 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.535 -1.085 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.889 -0.086 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.103 0.295 -0.260 1.00 0.00 H new ATOM 761 N LEU A 45 6.367 3.138 -2.821 1.00 0.00 N ATOM 762 CA LEU A 45 5.433 3.711 -3.777 1.00 0.00 C ATOM 763 C LEU A 45 4.833 5.009 -3.244 1.00 0.00 C ATOM 764 O LEU A 45 3.961 5.602 -3.874 1.00 0.00 O ATOM 765 CB LEU A 45 4.313 2.706 -4.075 1.00 0.00 C ATOM 766 CG LEU A 45 4.778 1.309 -4.501 1.00 0.00 C ATOM 767 CD1 LEU A 45 3.586 0.379 -4.673 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.592 1.378 -5.783 1.00 0.00 C ATOM 0 H LEU A 45 5.934 2.795 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 45 5.976 3.935 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.691 2.607 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.681 3.116 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 45 5.417 0.908 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.935 -0.608 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.047 0.300 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.920 0.778 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.911 0.375 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.981 1.802 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.468 2.006 -5.624 1.00 0.00 H new ATOM 780 N GLY A 46 5.316 5.448 -2.086 1.00 0.00 N ATOM 781 CA GLY A 46 4.774 6.633 -1.443 1.00 0.00 C ATOM 782 C GLY A 46 4.936 7.890 -2.276 1.00 0.00 C ATOM 783 O GLY A 46 4.041 8.736 -2.311 1.00 0.00 O ATOM 0 H GLY A 46 6.079 5.001 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.715 6.475 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.268 6.775 -0.482 1.00 0.00 H new ATOM 787 N SER A 47 6.065 8.000 -2.964 1.00 0.00 N ATOM 788 CA SER A 47 6.357 9.178 -3.772 1.00 0.00 C ATOM 789 C SER A 47 5.624 9.107 -5.115 1.00 0.00 C ATOM 790 O SER A 47 5.719 10.016 -5.943 1.00 0.00 O ATOM 791 CB SER A 47 7.872 9.292 -3.991 1.00 0.00 C ATOM 792 OG SER A 47 8.231 10.569 -4.490 1.00 0.00 O ATOM 0 H SER A 47 6.795 7.287 -2.979 1.00 0.00 H new ATOM 0 HA SER A 47 6.007 10.064 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.391 9.109 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.198 8.522 -4.690 1.00 0.00 H new ATOM 0 HG SER A 47 7.579 10.852 -5.165 1.00 0.00 H new ATOM 798 N ILE A 48 4.883 8.028 -5.317 1.00 0.00 N ATOM 799 CA ILE A 48 4.160 7.811 -6.558 1.00 0.00 C ATOM 800 C ILE A 48 2.735 8.351 -6.454 1.00 0.00 C ATOM 801 O ILE A 48 2.060 8.156 -5.442 1.00 0.00 O ATOM 802 CB ILE A 48 4.139 6.308 -6.923 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.546 5.847 -7.312 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.148 6.021 -8.042 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.629 4.389 -7.711 1.00 0.00 C ATOM 0 H ILE A 48 4.767 7.283 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 48 4.678 8.352 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 48 3.812 5.748 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.902 6.460 -8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.219 6.022 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.159 4.956 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.147 6.313 -7.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.428 6.588 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.658 4.141 -7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.306 3.765 -6.878 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.983 4.210 -8.571 1.00 0.00 H new ATOM 817 N PRO A 49 2.276 9.077 -7.488 1.00 0.00 N ATOM 818 CA PRO A 49 0.904 9.583 -7.552 1.00 0.00 C ATOM 819 C PRO A 49 -0.123 8.454 -7.597 1.00 0.00 C ATOM 820 O PRO A 49 0.101 7.421 -8.232 1.00 0.00 O ATOM 821 CB PRO A 49 0.868 10.385 -8.859 1.00 0.00 C ATOM 822 CG PRO A 49 2.293 10.648 -9.199 1.00 0.00 C ATOM 823 CD PRO A 49 3.064 9.478 -8.663 1.00 0.00 C ATOM 0 HA PRO A 49 0.651 10.174 -6.672 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.372 9.824 -9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.315 11.316 -8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.427 10.744 -10.277 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.636 11.581 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.137 8.673 -9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.082 9.755 -8.391 1.00 0.00 H new ATOM 831 N LEU A 50 -1.256 8.677 -6.942 1.00 0.00 N ATOM 832 CA LEU A 50 -2.322 7.684 -6.844 1.00 0.00 C ATOM 833 C LEU A 50 -2.812 7.236 -8.221 1.00 0.00 C ATOM 834 O LEU A 50 -3.284 6.115 -8.383 1.00 0.00 O ATOM 835 CB LEU A 50 -3.493 8.257 -6.040 1.00 0.00 C ATOM 836 CG LEU A 50 -3.157 8.681 -4.609 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.358 9.338 -3.952 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.700 7.486 -3.788 1.00 0.00 C ATOM 0 H LEU A 50 -1.463 9.553 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.914 6.810 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.891 9.120 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.287 7.511 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.343 9.404 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.100 9.633 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.648 10.220 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.189 8.633 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.466 7.809 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.495 6.741 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.811 7.050 -4.244 1.00 0.00 H new ATOM 850 N LYS A 51 -2.694 8.117 -9.208 1.00 0.00 N ATOM 851 CA LYS A 51 -3.156 7.819 -10.563 1.00 0.00 C ATOM 852 C LYS A 51 -2.195 6.888 -11.304 1.00 0.00 C ATOM 853 O LYS A 51 -2.560 6.296 -12.318 1.00 0.00 O ATOM 854 CB LYS A 51 -3.344 9.108 -11.369 1.00 0.00 C ATOM 855 CG LYS A 51 -4.456 10.002 -10.844 1.00 0.00 C ATOM 856 CD LYS A 51 -5.786 9.265 -10.805 1.00 0.00 C ATOM 857 CE LYS A 51 -6.898 10.142 -10.258 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.295 11.215 -11.204 1.00 0.00 N ATOM 0 H LYS A 51 -2.283 9.044 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.115 7.310 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.408 9.667 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.557 8.849 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.202 10.352 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.545 10.885 -11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.047 8.931 -11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.689 8.372 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.766 9.523 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.573 10.592 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.090 11.753 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.490 11.854 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.583 10.791 -12.109 1.00 0.00 H new ATOM 872 N LYS A 52 -0.972 6.763 -10.802 1.00 0.00 N ATOM 873 CA LYS A 52 0.032 5.922 -11.445 1.00 0.00 C ATOM 874 C LYS A 52 0.199 4.616 -10.670 1.00 0.00 C ATOM 875 O LYS A 52 0.930 3.715 -11.085 1.00 0.00 O ATOM 876 CB LYS A 52 1.365 6.687 -11.558 1.00 0.00 C ATOM 877 CG LYS A 52 2.464 5.936 -12.304 1.00 0.00 C ATOM 878 CD LYS A 52 3.456 5.297 -11.344 1.00 0.00 C ATOM 879 CE LYS A 52 4.334 4.264 -12.031 1.00 0.00 C ATOM 880 NZ LYS A 52 3.552 3.082 -12.479 1.00 0.00 N ATOM 0 H LYS A 52 -0.652 7.231 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.298 5.671 -12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.183 7.636 -12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.720 6.923 -10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.017 5.166 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.989 6.623 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.085 6.072 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.914 4.824 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.827 4.720 -12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.119 3.942 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.972 2.217 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.569 3.171 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.567 3.029 -13.518 1.00 0.00 H new ATOM 894 N LEU A 53 -0.503 4.512 -9.551 1.00 0.00 N ATOM 895 CA LEU A 53 -0.426 3.331 -8.710 1.00 0.00 C ATOM 896 C LEU A 53 -1.188 2.178 -9.370 1.00 0.00 C ATOM 897 O LEU A 53 -2.417 2.139 -9.352 1.00 0.00 O ATOM 898 CB LEU A 53 -0.991 3.655 -7.316 1.00 0.00 C ATOM 899 CG LEU A 53 -0.659 2.662 -6.194 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.519 1.417 -6.289 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.818 2.290 -6.225 1.00 0.00 C ATOM 0 H LEU A 53 -1.134 5.235 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 53 0.613 3.024 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.626 4.638 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.076 3.729 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.876 3.150 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.260 0.733 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.570 1.694 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.346 0.928 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.033 1.585 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.058 1.831 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.422 3.187 -6.091 1.00 0.00 H new ATOM 913 N GLN A 54 -0.446 1.261 -9.980 1.00 0.00 N ATOM 914 CA GLN A 54 -1.045 0.132 -10.681 1.00 0.00 C ATOM 915 C GLN A 54 -0.962 -1.128 -9.830 1.00 0.00 C ATOM 916 O GLN A 54 -0.158 -1.204 -8.899 1.00 0.00 O ATOM 917 CB GLN A 54 -0.313 -0.130 -11.997 1.00 0.00 C ATOM 918 CG GLN A 54 0.043 1.122 -12.772 1.00 0.00 C ATOM 919 CD GLN A 54 0.912 0.812 -13.969 1.00 0.00 C ATOM 920 OE1 GLN A 54 0.423 0.651 -15.084 1.00 0.00 O ATOM 921 NE2 GLN A 54 2.204 0.667 -13.731 1.00 0.00 N ATOM 0 H GLN A 54 0.574 1.278 -10.003 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.088 0.380 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.601 -0.685 -11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.936 -0.767 -12.625 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.870 1.616 -13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.563 1.820 -12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.568 0.810 -12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.837 0.412 -14.489 1.00 0.00 H new ATOM 930 N PRO A 55 -1.789 -2.140 -10.141 1.00 0.00 N ATOM 931 CA PRO A 55 -1.702 -3.452 -9.495 1.00 0.00 C ATOM 932 C PRO A 55 -0.346 -4.105 -9.743 1.00 0.00 C ATOM 933 O PRO A 55 0.153 -4.865 -8.915 1.00 0.00 O ATOM 934 CB PRO A 55 -2.815 -4.264 -10.168 1.00 0.00 C ATOM 935 CG PRO A 55 -3.741 -3.251 -10.745 1.00 0.00 C ATOM 936 CD PRO A 55 -2.884 -2.080 -11.124 1.00 0.00 C ATOM 0 HA PRO A 55 -1.810 -3.387 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.413 -4.917 -10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.328 -4.902 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.264 -3.650 -11.614 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.502 -2.960 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.514 -2.164 -12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.433 -1.140 -11.060 1.00 0.00 H new ATOM 944 N ALA A 56 0.245 -3.785 -10.891 1.00 0.00 N ATOM 945 CA ALA A 56 1.543 -4.327 -11.272 1.00 0.00 C ATOM 946 C ALA A 56 2.646 -3.812 -10.354 1.00 0.00 C ATOM 947 O ALA A 56 3.554 -4.558 -9.983 1.00 0.00 O ATOM 948 CB ALA A 56 1.856 -3.982 -12.722 1.00 0.00 C ATOM 0 H ALA A 56 -0.159 -3.148 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 56 1.499 -5.411 -11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.829 -4.393 -12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.090 -4.406 -13.371 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.874 -2.899 -12.843 1.00 0.00 H new ATOM 954 N ASP A 57 2.563 -2.536 -9.987 1.00 0.00 N ATOM 955 CA ASP A 57 3.544 -1.931 -9.087 1.00 0.00 C ATOM 956 C ASP A 57 3.445 -2.562 -7.704 1.00 0.00 C ATOM 957 O ASP A 57 4.457 -2.836 -7.057 1.00 0.00 O ATOM 958 CB ASP A 57 3.335 -0.413 -8.985 1.00 0.00 C ATOM 959 CG ASP A 57 3.647 0.321 -10.277 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.836 0.439 -10.628 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.701 0.792 -10.948 1.00 0.00 O ATOM 0 H ASP A 57 1.828 -1.901 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 57 4.538 -2.114 -9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.302 -0.213 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.966 -0.018 -8.189 1.00 0.00 H new ATOM 966 N ILE A 58 2.214 -2.804 -7.267 1.00 0.00 N ATOM 967 CA ILE A 58 1.961 -3.442 -5.980 1.00 0.00 C ATOM 968 C ILE A 58 2.451 -4.890 -5.983 1.00 0.00 C ATOM 969 O ILE A 58 3.059 -5.357 -5.016 1.00 0.00 O ATOM 970 CB ILE A 58 0.456 -3.419 -5.632 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.063 -1.982 -5.583 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.200 -4.119 -4.307 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.538 -1.884 -5.255 1.00 0.00 C ATOM 0 H ILE A 58 1.371 -2.566 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 58 2.510 -2.876 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.082 -3.955 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.505 -1.424 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.120 -1.505 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.866 -4.091 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.530 -5.156 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.752 -3.613 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.838 -0.836 -5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.115 -2.414 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.724 -2.332 -4.279 1.00 0.00 H new ATOM 985 N GLN A 59 2.184 -5.593 -7.076 1.00 0.00 N ATOM 986 CA GLN A 59 2.605 -6.980 -7.221 1.00 0.00 C ATOM 987 C GLN A 59 4.131 -7.067 -7.204 1.00 0.00 C ATOM 988 O GLN A 59 4.707 -7.990 -6.626 1.00 0.00 O ATOM 989 CB GLN A 59 2.028 -7.570 -8.518 1.00 0.00 C ATOM 990 CG GLN A 59 2.203 -9.080 -8.665 1.00 0.00 C ATOM 991 CD GLN A 59 3.570 -9.483 -9.190 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.194 -8.757 -9.961 1.00 0.00 O ATOM 993 NE2 GLN A 59 4.039 -10.650 -8.779 1.00 0.00 N ATOM 0 H GLN A 59 1.675 -5.223 -7.879 1.00 0.00 H new ATOM 0 HA GLN A 59 2.223 -7.564 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.965 -7.335 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.503 -7.078 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.041 -9.553 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.436 -9.463 -9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.490 -11.223 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.950 -10.976 -9.103 1.00 0.00 H new ATOM 1002 N ARG A 60 4.777 -6.084 -7.822 1.00 0.00 N ATOM 1003 CA ARG A 60 6.232 -6.015 -7.845 1.00 0.00 C ATOM 1004 C ARG A 60 6.775 -5.840 -6.431 1.00 0.00 C ATOM 1005 O ARG A 60 7.763 -6.472 -6.061 1.00 0.00 O ATOM 1006 CB ARG A 60 6.702 -4.860 -8.728 1.00 0.00 C ATOM 1007 CG ARG A 60 8.209 -4.783 -8.874 1.00 0.00 C ATOM 1008 CD ARG A 60 8.624 -3.636 -9.780 1.00 0.00 C ATOM 1009 NE ARG A 60 10.039 -3.712 -10.146 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.920 -2.731 -9.937 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.535 -1.600 -9.360 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.184 -2.884 -10.314 1.00 0.00 N ATOM 0 H ARG A 60 4.313 -5.321 -8.315 1.00 0.00 H new ATOM 0 HA ARG A 60 6.612 -6.949 -8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.254 -4.964 -9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.337 -3.922 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.664 -4.655 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.585 -5.722 -9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.014 -3.649 -10.684 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.430 -2.688 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 60 10.373 -4.568 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.563 -1.478 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.211 -0.852 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.481 -3.750 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.858 -2.135 -10.155 1.00 0.00 H new ATOM 1026 N LEU A 61 6.110 -4.980 -5.658 1.00 0.00 N ATOM 1027 CA LEU A 61 6.458 -4.745 -4.258 1.00 0.00 C ATOM 1028 C LEU A 61 6.631 -6.074 -3.537 1.00 0.00 C ATOM 1029 O LEU A 61 7.704 -6.375 -3.001 1.00 0.00 O ATOM 1030 CB LEU A 61 5.338 -3.912 -3.600 1.00 0.00 C ATOM 1031 CG LEU A 61 5.573 -3.380 -2.171 1.00 0.00 C ATOM 1032 CD1 LEU A 61 4.467 -2.411 -1.812 1.00 0.00 C ATOM 1033 CD2 LEU A 61 5.610 -4.498 -1.136 1.00 0.00 C ATOM 0 H LEU A 61 5.317 -4.428 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 61 7.399 -4.198 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.135 -3.057 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.434 -4.521 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 61 6.544 -2.885 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.629 -2.032 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.469 -1.579 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.506 -2.923 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.778 -4.072 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.661 -5.033 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.418 -5.189 -1.376 1.00 0.00 H new ATOM 1045 N TYR A 62 5.563 -6.864 -3.539 1.00 0.00 N ATOM 1046 CA TYR A 62 5.568 -8.163 -2.882 1.00 0.00 C ATOM 1047 C TYR A 62 6.673 -9.044 -3.445 1.00 0.00 C ATOM 1048 O TYR A 62 7.520 -9.532 -2.707 1.00 0.00 O ATOM 1049 CB TYR A 62 4.225 -8.873 -3.059 1.00 0.00 C ATOM 1050 CG TYR A 62 3.023 -8.054 -2.638 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.061 -7.237 -1.514 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.841 -8.111 -3.365 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.956 -6.501 -1.130 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.735 -7.378 -2.987 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.797 -6.576 -1.870 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.307 -5.845 -1.491 1.00 0.00 O ATOM 0 H TYR A 62 4.680 -6.625 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 62 5.744 -7.992 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.111 -9.151 -4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.239 -9.798 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.968 -7.176 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.787 -8.740 -4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.001 -5.870 -0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.176 -7.433 -3.565 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.833 -5.612 -2.284 1.00 0.00 H new ATOM 1066 N ALA A 63 6.665 -9.209 -4.764 1.00 0.00 N ATOM 1067 CA ALA A 63 7.577 -10.125 -5.441 1.00 0.00 C ATOM 1068 C ALA A 63 9.041 -9.818 -5.141 1.00 0.00 C ATOM 1069 O ALA A 63 9.821 -10.721 -4.832 1.00 0.00 O ATOM 1070 CB ALA A 63 7.337 -10.081 -6.940 1.00 0.00 C ATOM 0 H ALA A 63 6.030 -8.715 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 63 7.371 -11.125 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.022 -10.767 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.309 -10.375 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.508 -9.069 -7.306 1.00 0.00 H new ATOM 1076 N SER A 64 9.404 -8.548 -5.226 1.00 0.00 N ATOM 1077 CA SER A 64 10.789 -8.143 -5.069 1.00 0.00 C ATOM 1078 C SER A 64 11.296 -8.412 -3.652 1.00 0.00 C ATOM 1079 O SER A 64 12.342 -9.036 -3.473 1.00 0.00 O ATOM 1080 CB SER A 64 10.943 -6.667 -5.433 1.00 0.00 C ATOM 1081 OG SER A 64 10.595 -6.445 -6.792 1.00 0.00 O ATOM 0 H SER A 64 8.757 -7.780 -5.403 1.00 0.00 H new ATOM 0 HA SER A 64 11.399 -8.740 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.309 -6.060 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.971 -6.350 -5.260 1.00 0.00 H new ATOM 0 HG SER A 64 9.620 -6.388 -6.875 1.00 0.00 H new ATOM 1087 N LYS A 65 10.551 -7.979 -2.641 1.00 0.00 N ATOM 1088 CA LYS A 65 11.012 -8.146 -1.268 1.00 0.00 C ATOM 1089 C LYS A 65 10.772 -9.576 -0.778 1.00 0.00 C ATOM 1090 O LYS A 65 11.445 -10.044 0.142 1.00 0.00 O ATOM 1091 CB LYS A 65 10.367 -7.123 -0.326 1.00 0.00 C ATOM 1092 CG LYS A 65 10.981 -7.123 1.066 1.00 0.00 C ATOM 1093 CD LYS A 65 10.613 -5.881 1.858 1.00 0.00 C ATOM 1094 CE LYS A 65 11.262 -5.908 3.234 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.112 -4.620 3.956 1.00 0.00 N ATOM 0 H LYS A 65 9.646 -7.520 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 65 12.086 -7.963 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.464 -6.128 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.301 -7.333 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.648 -8.008 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.066 -7.190 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.933 -4.991 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.530 -5.818 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.817 -6.707 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.322 -6.141 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.570 -4.689 4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.559 -3.859 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.102 -4.408 4.082 1.00 0.00 H new ATOM 1109 N LEU A 66 9.827 -10.272 -1.401 1.00 0.00 N ATOM 1110 CA LEU A 66 9.615 -11.689 -1.125 1.00 0.00 C ATOM 1111 C LEU A 66 10.888 -12.461 -1.428 1.00 0.00 C ATOM 1112 O LEU A 66 11.334 -13.289 -0.634 1.00 0.00 O ATOM 1113 CB LEU A 66 8.463 -12.235 -1.973 1.00 0.00 C ATOM 1114 CG LEU A 66 8.262 -13.752 -1.917 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.879 -14.199 -0.516 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.210 -14.186 -2.927 1.00 0.00 C ATOM 0 H LEU A 66 9.196 -9.879 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 66 9.357 -11.808 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.540 -11.752 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.631 -11.947 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 66 9.207 -14.230 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.742 -15.280 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.670 -13.925 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.950 -13.712 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.079 -15.267 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.264 -13.694 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.532 -13.908 -3.930 1.00 0.00 H new ATOM 1128 N GLU A 67 11.478 -12.156 -2.574 1.00 0.00 N ATOM 1129 CA GLU A 67 12.711 -12.791 -3.010 1.00 0.00 C ATOM 1130 C GLU A 67 13.870 -12.446 -2.075 1.00 0.00 C ATOM 1131 O GLU A 67 14.851 -13.186 -1.983 1.00 0.00 O ATOM 1132 CB GLU A 67 13.019 -12.359 -4.443 1.00 0.00 C ATOM 1133 CG GLU A 67 14.272 -12.987 -5.019 1.00 0.00 C ATOM 1134 CD GLU A 67 14.335 -12.858 -6.521 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.524 -11.730 -7.019 1.00 0.00 O ATOM 1136 OE2 GLU A 67 14.197 -13.888 -7.208 1.00 0.00 O ATOM 0 H GLU A 67 11.115 -11.462 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 67 12.583 -13.873 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.171 -12.614 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.123 -11.274 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.149 -12.514 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.307 -14.041 -4.745 1.00 0.00 H new ATOM 1143 N SER A 68 13.745 -11.327 -1.374 1.00 0.00 N ATOM 1144 CA SER A 68 14.751 -10.914 -0.410 1.00 0.00 C ATOM 1145 C SER A 68 14.619 -11.741 0.870 1.00 0.00 C ATOM 1146 O SER A 68 15.607 -12.264 1.388 1.00 0.00 O ATOM 1147 CB SER A 68 14.615 -9.416 -0.105 1.00 0.00 C ATOM 1148 OG SER A 68 15.622 -8.972 0.788 1.00 0.00 O ATOM 0 H SER A 68 12.954 -10.689 -1.457 1.00 0.00 H new ATOM 0 HA SER A 68 15.740 -11.086 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.675 -8.848 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.633 -9.219 0.326 1.00 0.00 H new ATOM 0 HG SER A 68 15.508 -8.014 0.960 1.00 0.00 H new ATOM 1154 N GLY A 69 13.396 -11.869 1.374 1.00 0.00 N ATOM 1155 CA GLY A 69 13.176 -12.676 2.554 1.00 0.00 C ATOM 1156 C GLY A 69 11.877 -12.357 3.263 1.00 0.00 C ATOM 1157 O GLY A 69 11.872 -12.068 4.458 1.00 0.00 O ATOM 0 H GLY A 69 12.560 -11.431 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.179 -13.729 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.005 -12.529 3.246 1.00 0.00 H new ATOM 1161 N LEU A 70 10.772 -12.400 2.535 1.00 0.00 N ATOM 1162 CA LEU A 70 9.463 -12.216 3.146 1.00 0.00 C ATOM 1163 C LEU A 70 8.800 -13.561 3.389 1.00 0.00 C ATOM 1164 O LEU A 70 8.804 -14.428 2.516 1.00 0.00 O ATOM 1165 CB LEU A 70 8.550 -11.350 2.279 1.00 0.00 C ATOM 1166 CG LEU A 70 8.879 -9.856 2.260 1.00 0.00 C ATOM 1167 CD1 LEU A 70 7.866 -9.102 1.412 1.00 0.00 C ATOM 1168 CD2 LEU A 70 8.910 -9.295 3.674 1.00 0.00 C ATOM 0 H LEU A 70 10.754 -12.559 1.528 1.00 0.00 H new ATOM 0 HA LEU A 70 9.618 -11.705 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.587 -11.725 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.524 -11.474 2.627 1.00 0.00 H new ATOM 0 HG LEU A 70 9.867 -9.727 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.113 -8.040 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.890 -9.484 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.868 -9.241 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.146 -8.231 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.936 -9.435 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.671 -9.816 4.255 1.00 0.00 H new ATOM 1180 N SER A 71 8.253 -13.740 4.578 1.00 0.00 N ATOM 1181 CA SER A 71 7.487 -14.933 4.882 1.00 0.00 C ATOM 1182 C SER A 71 6.192 -14.925 4.067 1.00 0.00 C ATOM 1183 O SER A 71 5.610 -13.861 3.848 1.00 0.00 O ATOM 1184 CB SER A 71 7.176 -14.977 6.378 1.00 0.00 C ATOM 1185 OG SER A 71 8.328 -14.651 7.140 1.00 0.00 O ATOM 0 H SER A 71 8.325 -13.074 5.348 1.00 0.00 H new ATOM 0 HA SER A 71 8.065 -15.819 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.372 -14.278 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.822 -15.971 6.652 1.00 0.00 H new ATOM 0 HG SER A 71 8.109 -14.683 8.095 1.00 0.00 H new ATOM 1191 N PRO A 72 5.734 -16.098 3.594 1.00 0.00 N ATOM 1192 CA PRO A 72 4.505 -16.207 2.796 1.00 0.00 C ATOM 1193 C PRO A 72 3.307 -15.555 3.486 1.00 0.00 C ATOM 1194 O PRO A 72 2.452 -14.949 2.834 1.00 0.00 O ATOM 1195 CB PRO A 72 4.290 -17.723 2.646 1.00 0.00 C ATOM 1196 CG PRO A 72 5.232 -18.364 3.615 1.00 0.00 C ATOM 1197 CD PRO A 72 6.374 -17.406 3.785 1.00 0.00 C ATOM 0 HA PRO A 72 4.598 -15.691 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.258 -17.995 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.496 -18.049 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.739 -18.555 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.583 -19.325 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.831 -17.492 4.771 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.162 -17.582 3.052 1.00 0.00 H new ATOM 1205 N THR A 73 3.268 -15.664 4.806 1.00 0.00 N ATOM 1206 CA THR A 73 2.215 -15.051 5.599 1.00 0.00 C ATOM 1207 C THR A 73 2.301 -13.527 5.538 1.00 0.00 C ATOM 1208 O THR A 73 1.291 -12.840 5.392 1.00 0.00 O ATOM 1209 CB THR A 73 2.307 -15.512 7.062 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.675 -15.480 7.496 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.744 -16.917 7.223 1.00 0.00 C ATOM 0 H THR A 73 3.960 -16.176 5.353 1.00 0.00 H new ATOM 0 HA THR A 73 1.258 -15.365 5.182 1.00 0.00 H new ATOM 0 HB THR A 73 1.716 -14.833 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.729 -15.773 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.820 -17.222 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.698 -16.927 6.917 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.311 -17.610 6.601 1.00 0.00 H new ATOM 1219 N ARG A 74 3.524 -13.013 5.616 1.00 0.00 N ATOM 1220 CA ARG A 74 3.766 -11.575 5.575 1.00 0.00 C ATOM 1221 C ARG A 74 3.334 -10.992 4.240 1.00 0.00 C ATOM 1222 O ARG A 74 2.793 -9.890 4.191 1.00 0.00 O ATOM 1223 CB ARG A 74 5.242 -11.273 5.828 1.00 0.00 C ATOM 1224 CG ARG A 74 5.688 -11.621 7.233 1.00 0.00 C ATOM 1225 CD ARG A 74 5.005 -10.735 8.261 1.00 0.00 C ATOM 1226 NE ARG A 74 5.202 -11.227 9.619 1.00 0.00 N ATOM 1227 CZ ARG A 74 6.171 -10.818 10.436 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.041 -9.895 10.042 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.268 -11.335 11.651 1.00 0.00 N ATOM 0 H ARG A 74 4.369 -13.576 5.709 1.00 0.00 H new ATOM 0 HA ARG A 74 3.173 -11.110 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.848 -11.829 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.426 -10.214 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.460 -12.666 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.769 -11.508 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.395 -9.720 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.938 -10.684 8.045 1.00 0.00 H new ATOM 0 HE ARG A 74 4.553 -11.933 9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.970 -9.493 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.780 -9.588 10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.602 -12.044 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.009 -11.024 12.280 1.00 0.00 H new ATOM 1243 N VAL A 75 3.564 -11.741 3.168 1.00 0.00 N ATOM 1244 CA VAL A 75 3.145 -11.322 1.837 1.00 0.00 C ATOM 1245 C VAL A 75 1.632 -11.130 1.795 1.00 0.00 C ATOM 1246 O VAL A 75 1.132 -10.160 1.224 1.00 0.00 O ATOM 1247 CB VAL A 75 3.565 -12.349 0.763 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.142 -11.890 -0.626 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.064 -12.583 0.815 1.00 0.00 C ATOM 0 H VAL A 75 4.039 -12.643 3.195 1.00 0.00 H new ATOM 0 HA VAL A 75 3.640 -10.376 1.619 1.00 0.00 H new ATOM 0 HB VAL A 75 3.058 -13.290 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.450 -12.631 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.058 -11.775 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.614 -10.934 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.346 -13.309 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.585 -11.644 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.339 -12.965 1.798 1.00 0.00 H new ATOM 1259 N ARG A 76 0.910 -12.045 2.427 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.541 -11.965 2.472 1.00 0.00 C ATOM 1261 C ARG A 76 -0.988 -10.850 3.411 1.00 0.00 C ATOM 1262 O ARG A 76 -1.952 -10.144 3.128 1.00 0.00 O ATOM 1263 CB ARG A 76 -1.153 -13.294 2.923 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.828 -14.468 2.014 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.594 -15.713 2.435 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.225 -16.889 1.649 1.00 0.00 N ATOM 1267 CZ ARG A 76 -2.079 -17.852 1.310 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -3.373 -17.728 1.584 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -1.640 -18.921 0.663 1.00 0.00 N ATOM 0 H ARG A 76 1.305 -12.849 2.914 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.891 -11.745 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.802 -13.520 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.236 -13.182 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.077 -14.214 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.243 -14.669 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.407 -15.912 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.664 -15.531 2.330 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.256 -16.977 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.716 -16.892 2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.023 -18.469 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.651 -19.004 0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.291 -19.662 0.401 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.276 -10.694 4.523 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.613 -9.680 5.517 1.00 0.00 C ATOM 1285 C TYR A 77 -0.444 -8.277 4.939 1.00 0.00 C ATOM 1286 O TYR A 77 -1.349 -7.449 5.029 1.00 0.00 O ATOM 1287 CB TYR A 77 0.253 -9.849 6.770 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.213 -9.028 7.953 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.413 -9.318 8.586 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.545 -7.968 8.437 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.847 -8.578 9.670 1.00 0.00 C ATOM 1292 CE2 TYR A 77 0.120 -7.224 9.521 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.077 -7.532 10.135 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.504 -6.794 11.218 1.00 0.00 O ATOM 0 H TYR A 77 0.540 -11.258 4.759 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.658 -9.811 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.264 -10.902 7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.280 -9.572 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.019 -10.136 8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.481 -7.722 7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.784 -8.818 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.722 -6.405 9.886 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.846 -6.096 11.418 1.00 0.00 H new ATOM 1304 N ILE A 78 0.716 -8.018 4.343 1.00 0.00 N ATOM 1305 CA ILE A 78 0.974 -6.752 3.663 1.00 0.00 C ATOM 1306 C ILE A 78 -0.058 -6.514 2.556 1.00 0.00 C ATOM 1307 O ILE A 78 -0.467 -5.380 2.298 1.00 0.00 O ATOM 1308 CB ILE A 78 2.400 -6.724 3.060 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.448 -6.850 4.171 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.630 -5.446 2.262 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.875 -6.914 3.664 1.00 0.00 C ATOM 0 H ILE A 78 1.498 -8.673 4.317 1.00 0.00 H new ATOM 0 HA ILE A 78 0.893 -5.957 4.404 1.00 0.00 H new ATOM 0 HB ILE A 78 2.499 -7.572 2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.351 -6.001 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.239 -7.747 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.639 -5.451 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.906 -5.389 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.510 -4.582 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.558 -7.003 4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.991 -7.780 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.104 -6.006 3.106 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.485 -7.598 1.923 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.476 -7.537 0.856 1.00 0.00 C ATOM 1325 C HIS A 79 -2.855 -7.171 1.401 1.00 0.00 C ATOM 1326 O HIS A 79 -3.520 -6.274 0.879 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.532 -8.886 0.127 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.504 -8.940 -1.015 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.620 -9.746 -1.012 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.506 -8.303 -2.212 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.264 -9.606 -2.156 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.612 -8.736 -2.903 1.00 0.00 N ATOM 0 H HIS A 79 -0.156 -8.541 2.133 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.179 -6.758 0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.537 -9.122 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.794 -9.662 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.774 -7.588 -2.558 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.173 -10.118 -2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.884 -8.435 -3.839 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.281 -7.861 2.453 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.618 -7.665 3.000 1.00 0.00 C ATOM 1343 C VAL A 80 -4.748 -6.299 3.682 1.00 0.00 C ATOM 1344 O VAL A 80 -5.785 -5.638 3.570 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.016 -8.802 3.979 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -4.167 -8.790 5.239 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -6.494 -8.724 4.328 1.00 0.00 C ATOM 0 H VAL A 80 -2.722 -8.559 2.943 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.310 -7.694 2.158 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.829 -9.747 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.479 -9.602 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.118 -8.922 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.293 -7.838 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.749 -9.531 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.706 -7.765 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.088 -8.820 3.419 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.692 -5.860 4.363 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.717 -4.569 5.035 1.00 0.00 C ATOM 1359 C VAL A 81 -3.710 -3.436 4.008 1.00 0.00 C ATOM 1360 O VAL A 81 -4.336 -2.392 4.209 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.539 -4.404 6.031 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.202 -4.367 5.309 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.728 -3.158 6.883 1.00 0.00 C ATOM 0 H VAL A 81 -2.817 -6.376 4.462 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.639 -4.522 5.615 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.534 -5.274 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.399 -4.251 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.060 -5.297 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.187 -3.527 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.892 -3.060 7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.771 -2.280 6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.657 -3.240 7.447 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.029 -3.658 2.889 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.000 -2.678 1.818 1.00 0.00 C ATOM 1375 C LEU A 82 -4.351 -2.642 1.116 1.00 0.00 C ATOM 1376 O LEU A 82 -4.852 -1.578 0.767 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.888 -3.000 0.818 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.641 -1.926 -0.244 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.191 -0.628 0.407 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.613 -2.403 -1.255 1.00 0.00 C ATOM 0 H LEU A 82 -2.493 -4.506 2.704 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.795 -1.697 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.962 -3.165 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.132 -3.936 0.316 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.577 -1.739 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.020 0.125 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.963 -0.278 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.267 -0.799 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.450 -1.626 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.326 -2.619 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.976 -3.307 -1.744 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.949 -3.815 0.937 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.269 -3.910 0.321 1.00 0.00 C ATOM 1394 C HIS A 83 -7.317 -3.229 1.193 1.00 0.00 C ATOM 1395 O HIS A 83 -8.335 -2.762 0.701 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.655 -5.375 0.077 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.007 -5.551 -0.553 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.277 -5.206 -1.856 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.167 -6.033 -0.048 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.541 -5.466 -2.125 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.105 -5.968 -1.045 1.00 0.00 N ATOM 0 H HIS A 83 -4.543 -4.711 1.208 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.229 -3.400 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.904 -5.837 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.635 -5.909 1.027 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.604 -4.810 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.324 -6.401 0.955 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.032 -5.296 -3.072 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.058 -3.173 2.486 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.993 -2.561 3.414 1.00 0.00 C ATOM 1412 C GLU A 84 -7.854 -1.041 3.408 1.00 0.00 C ATOM 1413 O GLU A 84 -8.835 -0.315 3.251 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.755 -3.091 4.829 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.795 -2.626 5.831 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.173 -3.155 5.502 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.364 -4.389 5.549 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.074 -2.348 5.193 1.00 0.00 O ATOM 0 H GLU A 84 -6.211 -3.542 2.918 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.002 -2.820 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.747 -4.181 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.769 -2.773 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.509 -2.955 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.819 -1.536 5.849 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.627 -0.571 3.562 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.376 0.846 3.760 1.00 0.00 C ATOM 1427 C ALA A 85 -6.256 1.615 2.441 1.00 0.00 C ATOM 1428 O ALA A 85 -6.774 2.721 2.315 1.00 0.00 O ATOM 1429 CB ALA A 85 -5.126 1.031 4.603 1.00 0.00 C ATOM 0 H ALA A 85 -5.788 -1.152 3.554 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.237 1.262 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.940 2.095 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.266 0.550 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.274 0.581 4.094 1.00 0.00 H new ATOM 1435 N MET A 86 -5.589 1.026 1.455 1.00 0.00 N ATOM 1436 CA MET A 86 -5.292 1.735 0.207 1.00 0.00 C ATOM 1437 C MET A 86 -6.527 1.850 -0.681 1.00 0.00 C ATOM 1438 O MET A 86 -6.669 2.805 -1.443 1.00 0.00 O ATOM 1439 CB MET A 86 -4.169 1.035 -0.557 1.00 0.00 C ATOM 1440 CG MET A 86 -3.704 1.783 -1.798 1.00 0.00 C ATOM 1441 SD MET A 86 -2.973 3.384 -1.410 1.00 0.00 S ATOM 1442 CE MET A 86 -2.504 3.942 -3.046 1.00 0.00 C ATOM 0 H MET A 86 -5.244 0.067 1.490 1.00 0.00 H new ATOM 0 HA MET A 86 -4.970 2.741 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.319 0.898 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.507 0.041 -0.850 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.974 1.175 -2.332 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.551 1.928 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.471 4.288 -3.030 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.600 3.118 -3.753 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.156 4.760 -3.352 1.00 0.00 H new ATOM 1452 N SER A 87 -7.433 0.887 -0.577 1.00 0.00 N ATOM 1453 CA SER A 87 -8.651 0.910 -1.381 1.00 0.00 C ATOM 1454 C SER A 87 -9.550 2.063 -0.950 1.00 0.00 C ATOM 1455 O SER A 87 -10.445 2.479 -1.686 1.00 0.00 O ATOM 1456 CB SER A 87 -9.393 -0.416 -1.262 1.00 0.00 C ATOM 1457 OG SER A 87 -8.539 -1.502 -1.574 1.00 0.00 O ATOM 0 H SER A 87 -7.351 0.086 0.050 1.00 0.00 H new ATOM 0 HA SER A 87 -8.374 1.058 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.780 -0.531 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.252 -0.419 -1.933 1.00 0.00 H new ATOM 0 HG SER A 87 -8.128 -1.842 -0.752 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.284 2.593 0.237 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.020 3.737 0.742 1.00 0.00 C ATOM 1465 C GLN A 88 -9.687 4.986 -0.069 1.00 0.00 C ATOM 1466 O GLN A 88 -10.459 5.939 -0.090 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.712 3.952 2.224 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.198 2.813 3.111 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.673 2.897 4.533 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.338 2.480 5.482 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -8.465 3.419 4.689 1.00 0.00 N ATOM 0 H GLN A 88 -8.561 2.245 0.867 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.087 3.540 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.636 4.069 2.351 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.175 4.882 2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.288 2.817 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.891 1.863 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.945 3.754 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.055 3.486 5.620 1.00 0.00 H new ATOM 1480 N ALA A 89 -8.543 4.969 -0.756 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.160 6.069 -1.643 1.00 0.00 C ATOM 1482 C ALA A 89 -9.106 6.128 -2.834 1.00 0.00 C ATOM 1483 O ALA A 89 -9.426 7.203 -3.348 1.00 0.00 O ATOM 1484 CB ALA A 89 -6.721 5.902 -2.112 1.00 0.00 C ATOM 0 H ALA A 89 -7.867 4.207 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.231 7.006 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.455 6.729 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.055 5.896 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.622 4.961 -2.653 1.00 0.00 H new ATOM 1490 N ARG A 90 -9.564 4.958 -3.255 1.00 0.00 N ATOM 1491 CA ARG A 90 -10.556 4.850 -4.311 1.00 0.00 C ATOM 1492 C ARG A 90 -11.885 5.425 -3.835 1.00 0.00 C ATOM 1493 O ARG A 90 -12.540 6.187 -4.545 1.00 0.00 O ATOM 1494 CB ARG A 90 -10.713 3.380 -4.723 1.00 0.00 C ATOM 1495 CG ARG A 90 -11.920 3.096 -5.604 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.011 1.617 -5.944 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.333 1.239 -6.442 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.950 0.104 -6.111 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -13.358 -0.758 -5.289 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.155 -0.171 -6.595 1.00 0.00 N ATOM 0 H ARG A 90 -9.259 4.062 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.228 5.421 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.812 3.066 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.785 2.769 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.830 3.412 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.850 3.680 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.260 1.373 -6.695 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.778 1.028 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.809 1.879 -7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.433 -0.551 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.829 -1.626 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.614 0.488 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.622 -1.041 -6.338 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.255 5.084 -2.611 1.00 0.00 N ATOM 1515 CA GLU A 91 -13.512 5.536 -2.034 1.00 0.00 C ATOM 1516 C GLU A 91 -13.431 7.002 -1.617 1.00 0.00 C ATOM 1517 O GLU A 91 -14.451 7.660 -1.426 1.00 0.00 O ATOM 1518 CB GLU A 91 -13.874 4.664 -0.839 1.00 0.00 C ATOM 1519 CG GLU A 91 -13.895 3.186 -1.180 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.327 2.323 -0.017 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -13.602 2.274 0.993 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.385 1.671 -0.124 1.00 0.00 O ATOM 0 H GLU A 91 -11.699 4.492 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.290 5.447 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.157 4.838 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.853 4.960 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.570 3.021 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.901 2.879 -1.505 1.00 0.00 H new ATOM 1529 N SER A 92 -12.212 7.507 -1.480 1.00 0.00 N ATOM 1530 CA SER A 92 -11.996 8.915 -1.178 1.00 0.00 C ATOM 1531 C SER A 92 -12.278 9.777 -2.407 1.00 0.00 C ATOM 1532 O SER A 92 -12.368 11.002 -2.313 1.00 0.00 O ATOM 1533 CB SER A 92 -10.562 9.143 -0.695 1.00 0.00 C ATOM 1534 OG SER A 92 -10.323 8.485 0.536 1.00 0.00 O ATOM 0 H SER A 92 -11.356 6.960 -1.574 1.00 0.00 H new ATOM 0 HA SER A 92 -12.685 9.204 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.861 8.780 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.380 10.212 -0.580 1.00 0.00 H new ATOM 0 HG SER A 92 -10.026 7.567 0.364 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.412 9.126 -3.559 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.726 9.835 -4.783 1.00 0.00 C ATOM 1542 C GLY A 93 -11.507 10.073 -5.648 1.00 0.00 C ATOM 1543 O GLY A 93 -11.620 10.567 -6.771 1.00 0.00 O ATOM 0 H GLY A 93 -12.308 8.117 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.463 9.266 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.184 10.793 -4.536 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.341 9.711 -5.132 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.094 9.921 -5.855 1.00 0.00 C ATOM 1549 C LEU A 94 -8.938 8.900 -6.969 1.00 0.00 C ATOM 1550 O LEU A 94 -8.645 9.251 -8.107 1.00 0.00 O ATOM 1551 CB LEU A 94 -7.883 9.838 -4.914 1.00 0.00 C ATOM 1552 CG LEU A 94 -7.647 11.045 -3.994 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.639 12.340 -4.789 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.678 11.099 -2.880 1.00 0.00 C ATOM 0 H LEU A 94 -10.232 9.272 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.134 10.921 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.995 8.951 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.989 9.691 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.667 10.924 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.470 13.180 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.843 12.306 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.599 12.465 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.484 11.964 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.676 11.182 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.615 10.190 -2.282 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.152 7.639 -6.645 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.931 6.572 -7.605 1.00 0.00 C ATOM 1568 C LEU A 95 -10.249 5.893 -7.958 1.00 0.00 C ATOM 1569 O LEU A 95 -11.167 5.842 -7.146 1.00 0.00 O ATOM 1570 CB LEU A 95 -7.927 5.560 -7.046 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.388 4.545 -8.057 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.753 5.255 -9.248 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.384 3.621 -7.387 1.00 0.00 C ATOM 0 H LEU A 95 -9.477 7.328 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.516 6.999 -8.518 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.085 6.106 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.401 5.017 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.221 3.946 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.376 4.515 -9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.499 5.879 -9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.929 5.879 -8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.007 2.903 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.554 4.209 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.869 3.087 -6.570 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.341 5.389 -9.181 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.563 4.749 -9.655 1.00 0.00 C ATOM 1587 C LEU A 96 -11.451 3.226 -9.602 1.00 0.00 C ATOM 1588 O LEU A 96 -12.445 2.530 -9.400 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.892 5.196 -11.089 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.818 4.894 -12.140 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.448 4.724 -13.512 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.774 6.003 -12.181 1.00 0.00 C ATOM 0 H LEU A 96 -9.584 5.410 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.370 5.059 -8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.821 4.715 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.076 6.270 -11.082 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.325 3.963 -11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.671 4.510 -14.245 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.159 3.898 -13.486 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.967 5.641 -13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.022 5.767 -12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.256 6.947 -12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.296 6.089 -11.205 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.239 2.715 -9.772 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.019 1.274 -9.820 1.00 0.00 C ATOM 1606 C GLN A 97 -9.438 0.768 -8.506 1.00 0.00 C ATOM 1607 O GLN A 97 -9.020 1.556 -7.657 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.080 0.924 -10.977 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.646 1.264 -12.347 1.00 0.00 C ATOM 1610 CD GLN A 97 -8.666 1.001 -13.475 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.824 0.105 -13.399 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -8.777 1.780 -14.541 1.00 0.00 N ATOM 0 H GLN A 97 -9.393 3.275 -9.879 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.981 0.787 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.137 1.454 -10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.855 -0.142 -10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -10.551 0.680 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.937 2.314 -12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.487 2.512 -14.566 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.152 1.648 -15.336 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.426 -0.549 -8.336 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.881 -1.164 -7.130 1.00 0.00 C ATOM 1623 C ASN A 98 -7.649 -2.016 -7.459 1.00 0.00 C ATOM 1624 O ASN A 98 -7.753 -3.189 -7.817 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.956 -2.003 -6.405 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.595 -3.083 -7.281 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -10.662 -2.960 -8.503 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.092 -4.143 -6.665 1.00 0.00 N ATOM 0 H ASN A 98 -9.788 -1.214 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.567 -0.366 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.506 -2.476 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.737 -1.337 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.543 -4.882 -7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.024 -4.222 -5.650 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.454 -1.425 -7.326 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.195 -2.089 -7.671 1.00 0.00 C ATOM 1637 C PRO A 99 -4.790 -3.142 -6.648 1.00 0.00 C ATOM 1638 O PRO A 99 -4.047 -4.070 -6.960 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.167 -0.947 -7.690 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.954 0.316 -7.557 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.223 -0.056 -6.853 1.00 0.00 C ATOM 0 HA PRO A 99 -5.275 -2.623 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.454 -1.050 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.593 -0.954 -8.617 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.399 1.063 -6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.164 0.749 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.114 -0.013 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.045 0.610 -7.117 1.00 0.00 H new ATOM 1649 N THR A 100 -5.302 -3.005 -5.433 1.00 0.00 N ATOM 1650 CA THR A 100 -4.940 -3.898 -4.343 1.00 0.00 C ATOM 1651 C THR A 100 -5.510 -5.298 -4.561 1.00 0.00 C ATOM 1652 O THR A 100 -4.886 -6.301 -4.213 1.00 0.00 O ATOM 1653 CB THR A 100 -5.442 -3.342 -2.999 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.857 -3.112 -3.071 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.728 -2.045 -2.646 1.00 0.00 C ATOM 0 H THR A 100 -5.972 -2.280 -5.177 1.00 0.00 H new ATOM 0 HA THR A 100 -3.852 -3.965 -4.322 1.00 0.00 H new ATOM 0 HB THR A 100 -5.228 -4.074 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.120 -2.473 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.101 -1.673 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.656 -2.229 -2.570 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.915 -1.304 -3.423 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.700 -5.354 -5.145 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.366 -6.619 -5.416 1.00 0.00 C ATOM 1665 C GLU A 101 -6.721 -7.309 -6.610 1.00 0.00 C ATOM 1666 O GLU A 101 -6.594 -8.531 -6.651 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.843 -6.374 -5.711 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.671 -7.642 -5.797 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.012 -8.207 -4.438 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -11.059 -7.808 -3.884 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -9.244 -9.042 -3.922 1.00 0.00 O ATOM 0 H GLU A 101 -7.226 -4.532 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.270 -7.258 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.257 -5.733 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.930 -5.830 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.592 -7.434 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.124 -8.390 -6.371 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.294 -6.503 -7.570 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.766 -7.017 -8.822 1.00 0.00 C ATOM 1680 C ALA A 102 -4.262 -7.259 -8.748 1.00 0.00 C ATOM 1681 O ALA A 102 -3.628 -7.561 -9.758 1.00 0.00 O ATOM 1682 CB ALA A 102 -6.098 -6.060 -9.956 1.00 0.00 C ATOM 0 H ALA A 102 -6.304 -5.485 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.238 -7.980 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.699 -6.452 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.180 -5.955 -10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.654 -5.086 -9.752 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.690 -7.142 -7.556 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.274 -7.416 -7.384 1.00 0.00 C ATOM 1690 C ALA A 103 -2.075 -8.895 -7.106 1.00 0.00 C ATOM 1691 O ALA A 103 -2.123 -9.344 -5.957 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.695 -6.572 -6.258 1.00 0.00 C ATOM 0 H ALA A 103 -4.180 -6.863 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.746 -7.153 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.634 -6.793 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.823 -5.515 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.213 -6.802 -5.327 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.891 -9.643 -8.178 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.753 -11.085 -8.110 1.00 0.00 C ATOM 1700 C LYS A 104 -0.577 -11.546 -8.966 1.00 0.00 C ATOM 1701 O LYS A 104 -0.397 -11.051 -10.079 1.00 0.00 O ATOM 1702 CB LYS A 104 -3.057 -11.732 -8.583 1.00 0.00 C ATOM 1703 CG LYS A 104 -3.007 -13.245 -8.706 1.00 0.00 C ATOM 1704 CD LYS A 104 -4.338 -13.788 -9.191 1.00 0.00 C ATOM 1705 CE LYS A 104 -4.267 -15.273 -9.497 1.00 0.00 C ATOM 1706 NZ LYS A 104 -5.563 -15.792 -10.005 1.00 0.00 N ATOM 0 H LYS A 104 -1.833 -9.266 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.555 -11.387 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.853 -11.464 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.325 -11.311 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.217 -13.532 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.759 -13.685 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.101 -13.610 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.646 -13.247 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.487 -15.455 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.985 -15.817 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.476 -16.809 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.302 -15.641 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.819 -15.290 -10.879 1.00 0.00 H new