USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 717 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 72 HIS : no HD1:sc= -6.09! C(o=-6!,f=-6.3!) USER MOD Set 1.2: A 98 GLN : amide:sc= 0.0369 X(o=-6,f=-6.2) USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.553 K(o=-0.55,f=-1.6) USER MOD Single : A 18 ASN : amide:sc= -0.623 K(o=-0.62,f=-14!) USER MOD Single : A 34 THR OG1 : rot -54:sc= 0.744 USER MOD Single : A 37 SER OG : rot -129:sc=-0.00961 USER MOD Single : A 39 SER OG : rot 180:sc= -1.26 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.359 (180deg=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.403 K(o=-0.4,f=-13!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc=-0.00739 K(o=-0.0074,f=-1.5) USER MOD Single : A 95 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 97 SER OG : rot 26:sc= 0.193 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 154:sc= -0.114 (180deg=-0.597) USER MOD Single : A 107 SER OG : rot -52:sc= 0.0515 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 9.694 12.368 5.541 1.00 0.00 N ATOM 67 CA VAL A 8 8.596 11.465 5.217 1.00 0.00 C ATOM 68 C VAL A 8 7.432 12.220 4.585 1.00 0.00 C ATOM 69 O VAL A 8 7.274 13.423 4.792 1.00 0.00 O ATOM 70 CB VAL A 8 8.092 10.722 6.469 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.054 9.678 6.088 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.255 10.083 7.212 1.00 0.00 C ATOM 0 HA VAL A 8 8.984 10.738 4.504 1.00 0.00 H new ATOM 0 HB VAL A 8 7.618 11.444 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.709 9.163 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.209 10.166 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.499 8.956 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.881 9.562 8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.759 9.372 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.960 10.856 7.519 1.00 0.00 H new ATOM 82 N ILE A 9 6.620 11.504 3.814 1.00 0.00 N ATOM 83 CA ILE A 9 5.469 12.106 3.152 1.00 0.00 C ATOM 84 C ILE A 9 4.171 11.741 3.866 1.00 0.00 C ATOM 85 O ILE A 9 3.248 12.551 3.951 1.00 0.00 O ATOM 86 CB ILE A 9 5.372 11.667 1.679 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.666 12.009 0.937 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.179 12.328 1.007 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.655 11.595 -0.518 1.00 0.00 C ATOM 0 H ILE A 9 6.738 10.507 3.633 1.00 0.00 H new ATOM 0 HA ILE A 9 5.612 13.186 3.192 1.00 0.00 H new ATOM 0 HB ILE A 9 5.230 10.587 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.838 13.084 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.503 11.522 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.124 12.008 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.264 12.039 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.293 13.411 1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.603 11.868 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.514 10.516 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.840 12.102 -1.034 1.00 0.00 H new ATOM 101 N ARG A 10 4.109 10.517 4.379 1.00 0.00 N ATOM 102 CA ARG A 10 2.925 10.044 5.086 1.00 0.00 C ATOM 103 C ARG A 10 3.240 8.788 5.894 1.00 0.00 C ATOM 104 O ARG A 10 4.137 8.021 5.544 1.00 0.00 O ATOM 105 CB ARG A 10 1.795 9.756 4.096 1.00 0.00 C ATOM 106 CG ARG A 10 0.417 9.730 4.737 1.00 0.00 C ATOM 107 CD ARG A 10 -0.224 11.109 4.737 1.00 0.00 C ATOM 108 NE ARG A 10 0.397 12.001 5.713 1.00 0.00 N ATOM 109 CZ ARG A 10 0.314 13.325 5.656 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.361 13.909 4.675 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.906 14.069 6.581 1.00 0.00 N ATOM 0 H ARG A 10 4.865 9.835 4.318 1.00 0.00 H new ATOM 0 HA ARG A 10 2.606 10.827 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.808 10.513 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.981 8.796 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.223 9.030 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.498 9.365 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.142 11.547 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.287 11.015 4.957 1.00 0.00 H new ATOM 0 HE ARG A 10 0.923 11.584 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.818 13.341 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.423 14.926 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.426 13.624 7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.841 15.086 6.536 1.00 0.00 H new ATOM 125 N ARG A 11 2.496 8.585 6.976 1.00 0.00 N ATOM 126 CA ARG A 11 2.696 7.424 7.835 1.00 0.00 C ATOM 127 C ARG A 11 1.396 7.031 8.530 1.00 0.00 C ATOM 128 O ARG A 11 0.569 7.883 8.851 1.00 0.00 O ATOM 129 CB ARG A 11 3.777 7.715 8.878 1.00 0.00 C ATOM 130 CG ARG A 11 5.099 8.165 8.276 1.00 0.00 C ATOM 131 CD ARG A 11 6.227 8.094 9.293 1.00 0.00 C ATOM 132 NE ARG A 11 5.950 8.905 10.476 1.00 0.00 N ATOM 133 CZ ARG A 11 6.602 8.775 11.626 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.564 7.871 11.747 1.00 0.00 N ATOM 135 NH2 ARG A 11 6.292 9.550 12.657 1.00 0.00 N ATOM 0 H ARG A 11 1.749 9.210 7.279 1.00 0.00 H new ATOM 0 HA ARG A 11 3.019 6.592 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.416 8.487 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.945 6.818 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.341 7.538 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.003 9.186 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.380 7.057 9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.154 8.433 8.830 1.00 0.00 H new ATOM 0 HE ARG A 11 5.215 9.610 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.805 7.274 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.063 7.773 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.552 10.247 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.793 9.449 13.540 1.00 0.00 H new ATOM 149 N GLY A 12 1.223 5.733 8.760 1.00 0.00 N ATOM 150 CA GLY A 12 0.022 5.249 9.415 1.00 0.00 C ATOM 151 C GLY A 12 -0.123 3.743 9.322 1.00 0.00 C ATOM 152 O GLY A 12 0.312 3.130 8.347 1.00 0.00 O ATOM 0 H GLY A 12 1.893 5.008 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.040 5.545 10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.850 5.723 8.965 1.00 0.00 H new ATOM 156 N TRP A 13 -0.734 3.146 10.338 1.00 0.00 N ATOM 157 CA TRP A 13 -0.934 1.701 10.367 1.00 0.00 C ATOM 158 C TRP A 13 -2.027 1.282 9.390 1.00 0.00 C ATOM 159 O TRP A 13 -3.173 1.720 9.501 1.00 0.00 O ATOM 160 CB TRP A 13 -1.294 1.244 11.782 1.00 0.00 C ATOM 161 CG TRP A 13 -0.161 1.371 12.754 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.370 2.529 13.246 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.582 0.302 13.350 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.398 2.244 14.113 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.547 0.885 14.194 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.524 -1.091 13.255 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.446 0.122 14.935 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.416 -1.847 13.990 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.366 -1.239 14.822 1.00 0.00 C ATOM 0 H TRP A 13 -1.100 3.639 11.153 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.002 1.224 10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.139 1.831 12.142 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.619 0.204 11.748 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.032 3.523 12.991 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.959 2.933 14.615 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.206 -1.568 12.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.180 0.588 15.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.381 -2.924 13.923 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.049 -1.858 15.385 1.00 0.00 H new ATOM 180 N LEU A 14 -1.666 0.433 8.435 1.00 0.00 N ATOM 181 CA LEU A 14 -2.618 -0.045 7.437 1.00 0.00 C ATOM 182 C LEU A 14 -2.800 -1.556 7.540 1.00 0.00 C ATOM 183 O LEU A 14 -1.928 -2.266 8.042 1.00 0.00 O ATOM 184 CB LEU A 14 -2.144 0.328 6.032 1.00 0.00 C ATOM 185 CG LEU A 14 -2.606 1.689 5.508 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.848 2.058 4.242 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.105 1.681 5.251 1.00 0.00 C ATOM 0 H LEU A 14 -0.722 0.061 8.330 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.579 0.433 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.054 0.307 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.485 -0.441 5.339 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.392 2.441 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.190 3.029 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.781 2.106 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.030 1.304 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.416 2.657 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.343 0.918 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.632 1.462 6.180 1.00 0.00 H new ATOM 199 N THR A 15 -3.940 -2.044 7.059 1.00 0.00 N ATOM 200 CA THR A 15 -4.237 -3.470 7.095 1.00 0.00 C ATOM 201 C THR A 15 -4.237 -4.067 5.693 1.00 0.00 C ATOM 202 O THR A 15 -5.076 -3.722 4.860 1.00 0.00 O ATOM 203 CB THR A 15 -5.601 -3.743 7.757 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.574 -3.323 9.125 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.953 -5.221 7.681 1.00 0.00 C ATOM 0 H THR A 15 -4.673 -1.471 6.640 1.00 0.00 H new ATOM 0 HA THR A 15 -3.453 -3.941 7.688 1.00 0.00 H new ATOM 0 HB THR A 15 -6.361 -3.177 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.445 -3.498 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.920 -5.390 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.002 -5.530 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.190 -5.804 8.197 1.00 0.00 H new ATOM 213 N ILE A 16 -3.292 -4.966 5.437 1.00 0.00 N ATOM 214 CA ILE A 16 -3.184 -5.612 4.135 1.00 0.00 C ATOM 215 C ILE A 16 -4.284 -6.652 3.946 1.00 0.00 C ATOM 216 O ILE A 16 -4.109 -7.823 4.279 1.00 0.00 O ATOM 217 CB ILE A 16 -1.814 -6.292 3.956 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.690 -5.342 4.374 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.629 -6.737 2.513 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.690 -5.838 4.003 1.00 0.00 C ATOM 0 H ILE A 16 -2.590 -5.263 6.115 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.293 -4.830 3.384 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.776 -7.174 4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.855 -4.370 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.735 -5.191 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.656 -7.216 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.414 -7.445 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.684 -5.870 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.437 -5.114 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.875 -6.796 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.754 -5.962 2.922 1.00 0.00 H new ATOM 232 N ASN A 17 -5.417 -6.214 3.406 1.00 0.00 N ATOM 233 CA ASN A 17 -6.546 -7.107 3.170 1.00 0.00 C ATOM 234 C ASN A 17 -6.073 -8.442 2.603 1.00 0.00 C ATOM 235 O ASN A 17 -6.612 -9.496 2.939 1.00 0.00 O ATOM 236 CB ASN A 17 -7.545 -6.458 2.211 1.00 0.00 C ATOM 237 CG ASN A 17 -8.584 -5.623 2.935 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.395 -5.244 4.091 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.688 -5.335 2.257 1.00 0.00 N ATOM 0 H ASN A 17 -5.578 -5.247 3.124 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.038 -7.291 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.007 -5.829 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.046 -7.234 1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.423 -4.778 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.801 -5.671 1.301 1.00 0.00 H new ATOM 246 N ASN A 18 -5.063 -8.389 1.741 1.00 0.00 N ATOM 247 CA ASN A 18 -4.518 -9.594 1.126 1.00 0.00 C ATOM 248 C ASN A 18 -3.006 -9.666 1.318 1.00 0.00 C ATOM 249 O ASN A 18 -2.247 -9.022 0.592 1.00 0.00 O ATOM 250 CB ASN A 18 -4.857 -9.629 -0.365 1.00 0.00 C ATOM 251 CG ASN A 18 -4.272 -8.450 -1.119 1.00 0.00 C ATOM 252 OD1 ASN A 18 -4.150 -7.351 -0.577 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.908 -8.673 -2.376 1.00 0.00 N ATOM 0 H ASN A 18 -4.605 -7.524 1.452 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.970 -10.458 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.482 -10.556 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.940 -9.635 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.509 -7.917 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.027 -9.600 -2.785 1.00 0.00 H new ATOM 395 N GLU A 28 -1.893 -6.020 10.174 1.00 0.00 N ATOM 396 CA GLU A 28 -1.544 -4.631 9.900 1.00 0.00 C ATOM 397 C GLU A 28 -0.030 -4.457 9.822 1.00 0.00 C ATOM 398 O GLU A 28 0.729 -5.368 10.151 1.00 0.00 O ATOM 399 CB GLU A 28 -2.119 -3.715 10.982 1.00 0.00 C ATOM 400 CG GLU A 28 -1.639 -4.053 12.384 1.00 0.00 C ATOM 401 CD GLU A 28 -2.415 -3.317 13.459 1.00 0.00 C ATOM 402 OE1 GLU A 28 -3.630 -3.573 13.593 1.00 0.00 O ATOM 403 OE2 GLU A 28 -1.808 -2.486 14.166 1.00 0.00 O ATOM 0 HA GLU A 28 -1.974 -4.357 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.850 -2.684 10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.207 -3.774 10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.730 -5.127 12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.581 -3.806 12.471 1.00 0.00 H new ATOM 410 N TYR A 29 0.402 -3.279 9.383 1.00 0.00 N ATOM 411 CA TYR A 29 1.824 -2.985 9.259 1.00 0.00 C ATOM 412 C TYR A 29 2.068 -1.479 9.224 1.00 0.00 C ATOM 413 O TYR A 29 1.226 -0.714 8.755 1.00 0.00 O ATOM 414 CB TYR A 29 2.392 -3.634 7.995 1.00 0.00 C ATOM 415 CG TYR A 29 2.716 -5.102 8.161 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.908 -5.508 8.747 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.829 -6.082 7.733 1.00 0.00 C ATOM 418 CE1 TYR A 29 4.208 -6.848 8.900 1.00 0.00 C ATOM 419 CE2 TYR A 29 2.120 -7.424 7.884 1.00 0.00 C ATOM 420 CZ TYR A 29 3.311 -7.802 8.467 1.00 0.00 C ATOM 421 OH TYR A 29 3.606 -9.137 8.619 1.00 0.00 O ATOM 0 H TYR A 29 -0.213 -2.513 9.107 1.00 0.00 H new ATOM 0 HA TYR A 29 2.332 -3.397 10.131 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.674 -3.519 7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.296 -3.102 7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.612 -4.764 9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.896 -5.790 7.274 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.140 -7.147 9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.419 -8.173 7.547 1.00 0.00 H new ATOM 0 HH TYR A 29 2.870 -9.677 8.263 1.00 0.00 H new ATOM 431 N TRP A 30 3.227 -1.063 9.723 1.00 0.00 N ATOM 432 CA TRP A 30 3.583 0.351 9.749 1.00 0.00 C ATOM 433 C TRP A 30 4.042 0.822 8.373 1.00 0.00 C ATOM 434 O TRP A 30 5.209 0.670 8.012 1.00 0.00 O ATOM 435 CB TRP A 30 4.684 0.602 10.781 1.00 0.00 C ATOM 436 CG TRP A 30 5.121 2.034 10.847 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.335 2.538 10.478 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.347 3.145 11.313 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.363 3.896 10.686 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.156 4.293 11.197 1.00 0.00 C ATOM 441 CE3 TRP A 30 3.050 3.283 11.814 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.708 5.559 11.565 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.607 4.540 12.179 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.434 5.664 12.053 1.00 0.00 C ATOM 0 H TRP A 30 3.935 -1.684 10.114 1.00 0.00 H new ATOM 0 HA TRP A 30 2.696 0.919 10.029 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.328 0.293 11.764 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.545 -0.022 10.542 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.153 1.955 10.081 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.155 4.509 10.491 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.405 2.422 11.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.343 6.427 11.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.606 4.658 12.568 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.058 6.633 12.347 1.00 0.00 H new ATOM 455 N PHE A 31 3.117 1.395 7.609 1.00 0.00 N ATOM 456 CA PHE A 31 3.428 1.887 6.273 1.00 0.00 C ATOM 457 C PHE A 31 4.020 3.292 6.335 1.00 0.00 C ATOM 458 O PHE A 31 3.387 4.223 6.834 1.00 0.00 O ATOM 459 CB PHE A 31 2.169 1.890 5.402 1.00 0.00 C ATOM 460 CG PHE A 31 1.833 0.543 4.830 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.148 -0.394 5.585 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.203 0.214 3.535 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.838 -1.635 5.061 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.896 -1.025 3.006 1.00 0.00 C ATOM 465 CZ PHE A 31 1.212 -1.951 3.769 1.00 0.00 C ATOM 0 H PHE A 31 2.147 1.530 7.893 1.00 0.00 H new ATOM 0 HA PHE A 31 4.167 1.220 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.327 2.244 5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.303 2.599 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.852 -0.152 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.737 0.934 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.304 -2.357 5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.191 -1.269 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.970 -2.920 3.357 1.00 0.00 H new ATOM 475 N VAL A 32 5.239 3.437 5.825 1.00 0.00 N ATOM 476 CA VAL A 32 5.917 4.728 5.821 1.00 0.00 C ATOM 477 C VAL A 32 6.227 5.182 4.399 1.00 0.00 C ATOM 478 O VAL A 32 7.143 4.666 3.756 1.00 0.00 O ATOM 479 CB VAL A 32 7.228 4.675 6.628 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.948 6.014 6.567 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.949 4.276 8.070 1.00 0.00 C ATOM 0 H VAL A 32 5.777 2.677 5.409 1.00 0.00 H new ATOM 0 HA VAL A 32 5.239 5.443 6.288 1.00 0.00 H new ATOM 0 HB VAL A 32 7.877 3.920 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.872 5.957 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.181 6.255 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.308 6.791 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.886 4.243 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.281 5.006 8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.480 3.292 8.091 1.00 0.00 H new ATOM 491 N LEU A 33 5.459 6.151 3.913 1.00 0.00 N ATOM 492 CA LEU A 33 5.652 6.676 2.565 1.00 0.00 C ATOM 493 C LEU A 33 6.677 7.805 2.563 1.00 0.00 C ATOM 494 O LEU A 33 6.430 8.885 3.102 1.00 0.00 O ATOM 495 CB LEU A 33 4.323 7.177 1.997 1.00 0.00 C ATOM 496 CG LEU A 33 4.412 8.023 0.727 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.534 7.133 -0.500 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.200 8.936 0.608 1.00 0.00 C ATOM 0 H LEU A 33 4.697 6.589 4.431 1.00 0.00 H new ATOM 0 HA LEU A 33 6.027 5.868 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.691 6.314 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.820 7.764 2.766 1.00 0.00 H new ATOM 0 HG LEU A 33 5.305 8.645 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.596 7.753 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.433 6.522 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.660 6.485 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.280 9.531 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.293 8.333 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.158 9.599 1.472 1.00 0.00 H new ATOM 510 N THR A 34 7.829 7.551 1.949 1.00 0.00 N ATOM 511 CA THR A 34 8.891 8.546 1.875 1.00 0.00 C ATOM 512 C THR A 34 9.187 8.927 0.429 1.00 0.00 C ATOM 513 O THR A 34 8.672 8.310 -0.503 1.00 0.00 O ATOM 514 CB THR A 34 10.186 8.035 2.534 1.00 0.00 C ATOM 515 OG1 THR A 34 10.618 6.828 1.896 1.00 0.00 O ATOM 516 CG2 THR A 34 9.974 7.782 4.019 1.00 0.00 C ATOM 0 H THR A 34 8.050 6.664 1.496 1.00 0.00 H new ATOM 0 HA THR A 34 8.539 9.425 2.415 1.00 0.00 H new ATOM 0 HB THR A 34 10.953 8.801 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.885 6.178 1.895 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.902 7.422 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.674 8.709 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.193 7.033 4.153 1.00 0.00 H new ATOM 524 N ALA A 35 10.019 9.947 0.249 1.00 0.00 N ATOM 525 CA ALA A 35 10.386 10.409 -1.084 1.00 0.00 C ATOM 526 C ALA A 35 11.239 9.373 -1.809 1.00 0.00 C ATOM 527 O ALA A 35 11.286 9.346 -3.038 1.00 0.00 O ATOM 528 CB ALA A 35 11.123 11.737 -0.999 1.00 0.00 C ATOM 0 H ALA A 35 10.452 10.470 1.010 1.00 0.00 H new ATOM 0 HA ALA A 35 9.470 10.551 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.391 12.069 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.479 12.481 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.028 11.613 -0.404 1.00 0.00 H new ATOM 534 N GLU A 36 11.911 8.524 -1.038 1.00 0.00 N ATOM 535 CA GLU A 36 12.764 7.488 -1.609 1.00 0.00 C ATOM 536 C GLU A 36 11.933 6.298 -2.081 1.00 0.00 C ATOM 537 O GLU A 36 11.869 6.008 -3.276 1.00 0.00 O ATOM 538 CB GLU A 36 13.799 7.025 -0.581 1.00 0.00 C ATOM 539 CG GLU A 36 14.985 7.964 -0.445 1.00 0.00 C ATOM 540 CD GLU A 36 15.936 7.876 -1.623 1.00 0.00 C ATOM 541 OE1 GLU A 36 16.287 6.744 -2.018 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.330 8.937 -2.149 1.00 0.00 O ATOM 0 H GLU A 36 11.882 8.533 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 36 13.281 7.912 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.314 6.923 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.160 6.036 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.624 8.988 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.526 7.730 0.472 1.00 0.00 H new ATOM 549 N SER A 37 11.299 5.614 -1.135 1.00 0.00 N ATOM 550 CA SER A 37 10.475 4.453 -1.453 1.00 0.00 C ATOM 551 C SER A 37 9.477 4.172 -0.334 1.00 0.00 C ATOM 552 O SER A 37 9.629 4.661 0.787 1.00 0.00 O ATOM 553 CB SER A 37 11.356 3.224 -1.686 1.00 0.00 C ATOM 554 OG SER A 37 12.304 3.071 -0.644 1.00 0.00 O ATOM 0 H SER A 37 11.340 5.843 -0.142 1.00 0.00 H new ATOM 0 HA SER A 37 9.920 4.672 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.732 2.332 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.873 3.319 -2.641 1.00 0.00 H new ATOM 0 HG SER A 37 13.199 2.962 -1.029 1.00 0.00 H new ATOM 560 N LEU A 38 8.456 3.382 -0.645 1.00 0.00 N ATOM 561 CA LEU A 38 7.431 3.034 0.333 1.00 0.00 C ATOM 562 C LEU A 38 7.741 1.695 0.994 1.00 0.00 C ATOM 563 O LEU A 38 7.651 0.643 0.360 1.00 0.00 O ATOM 564 CB LEU A 38 6.056 2.980 -0.336 1.00 0.00 C ATOM 565 CG LEU A 38 4.957 2.261 0.447 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.294 3.212 1.432 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.925 1.671 -0.503 1.00 0.00 C ATOM 0 H LEU A 38 8.315 2.970 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 38 7.423 3.805 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.728 4.001 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.164 2.491 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 38 5.412 1.446 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.515 2.683 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.039 3.588 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.852 4.048 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.150 1.163 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.475 2.470 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.410 0.957 -1.169 1.00 0.00 H new ATOM 579 N SER A 39 8.103 1.741 2.272 1.00 0.00 N ATOM 580 CA SER A 39 8.428 0.531 3.018 1.00 0.00 C ATOM 581 C SER A 39 7.513 0.378 4.230 1.00 0.00 C ATOM 582 O SER A 39 7.036 1.366 4.788 1.00 0.00 O ATOM 583 CB SER A 39 9.890 0.560 3.468 1.00 0.00 C ATOM 584 OG SER A 39 10.767 0.505 2.357 1.00 0.00 O ATOM 0 H SER A 39 8.179 2.603 2.812 1.00 0.00 H new ATOM 0 HA SER A 39 8.276 -0.324 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.080 1.468 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.086 -0.282 4.132 1.00 0.00 H new ATOM 0 HG SER A 39 11.695 0.526 2.671 1.00 0.00 H new ATOM 590 N TRP A 40 7.275 -0.865 4.631 1.00 0.00 N ATOM 591 CA TRP A 40 6.418 -1.148 5.777 1.00 0.00 C ATOM 592 C TRP A 40 7.156 -1.988 6.814 1.00 0.00 C ATOM 593 O TRP A 40 7.940 -2.872 6.467 1.00 0.00 O ATOM 594 CB TRP A 40 5.149 -1.872 5.324 1.00 0.00 C ATOM 595 CG TRP A 40 5.414 -2.986 4.357 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.645 -4.297 4.661 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.476 -2.885 2.930 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.847 -5.018 3.508 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.748 -4.175 2.433 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.326 -1.832 2.024 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.874 -4.436 1.072 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.452 -2.093 0.673 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.722 -3.386 0.207 1.00 0.00 C ATOM 0 H TRP A 40 7.663 -1.693 4.180 1.00 0.00 H new ATOM 0 HA TRP A 40 6.142 -0.199 6.236 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.637 -2.274 6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.474 -1.152 4.862 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.666 -4.707 5.660 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.039 -6.019 3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.115 -0.832 2.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.084 -5.432 0.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.340 -1.286 -0.036 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.812 -3.558 -0.855 1.00 0.00 H new ATOM 614 N TYR A 41 6.899 -1.708 8.087 1.00 0.00 N ATOM 615 CA TYR A 41 7.541 -2.437 9.174 1.00 0.00 C ATOM 616 C TYR A 41 6.506 -2.949 10.171 1.00 0.00 C ATOM 617 O TYR A 41 5.301 -2.812 9.960 1.00 0.00 O ATOM 618 CB TYR A 41 8.555 -1.542 9.888 1.00 0.00 C ATOM 619 CG TYR A 41 9.302 -0.612 8.959 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.633 0.378 8.250 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.676 -0.725 8.788 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.312 1.230 7.399 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.363 0.122 7.941 1.00 0.00 C ATOM 624 CZ TYR A 41 10.677 1.098 7.248 1.00 0.00 C ATOM 625 OH TYR A 41 11.357 1.943 6.402 1.00 0.00 O ATOM 0 H TYR A 41 6.251 -0.982 8.391 1.00 0.00 H new ATOM 0 HA TYR A 41 8.062 -3.294 8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.037 -0.950 10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.274 -2.170 10.415 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.564 0.484 8.366 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.217 -1.489 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.777 1.995 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.432 0.021 7.822 1.00 0.00 H new ATOM 0 HH TYR A 41 12.311 1.717 6.411 1.00 0.00 H new ATOM 635 N LYS A 42 6.986 -3.540 11.261 1.00 0.00 N ATOM 636 CA LYS A 42 6.106 -4.071 12.294 1.00 0.00 C ATOM 637 C LYS A 42 5.373 -2.946 13.017 1.00 0.00 C ATOM 638 O LYS A 42 4.155 -2.997 13.193 1.00 0.00 O ATOM 639 CB LYS A 42 6.908 -4.900 13.300 1.00 0.00 C ATOM 640 CG LYS A 42 7.093 -6.349 12.884 1.00 0.00 C ATOM 641 CD LYS A 42 8.356 -6.536 12.061 1.00 0.00 C ATOM 642 CE LYS A 42 9.562 -6.813 12.946 1.00 0.00 C ATOM 643 NZ LYS A 42 10.601 -7.608 12.235 1.00 0.00 N ATOM 0 H LYS A 42 7.981 -3.663 11.451 1.00 0.00 H new ATOM 0 HA LYS A 42 5.367 -4.711 11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.888 -4.442 13.436 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.405 -4.870 14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.139 -6.980 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.229 -6.675 12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.218 -7.362 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.539 -5.642 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.992 -5.869 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.242 -7.350 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.496 -7.562 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.292 -8.598 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.742 -7.220 11.281 1.00 0.00 H new ATOM 657 N ASP A 43 6.121 -1.930 13.432 1.00 0.00 N ATOM 658 CA ASP A 43 5.542 -0.790 14.133 1.00 0.00 C ATOM 659 C ASP A 43 6.162 0.518 13.650 1.00 0.00 C ATOM 660 O ASP A 43 7.017 0.520 12.765 1.00 0.00 O ATOM 661 CB ASP A 43 5.744 -0.936 15.642 1.00 0.00 C ATOM 662 CG ASP A 43 7.026 -1.668 15.987 1.00 0.00 C ATOM 663 OD1 ASP A 43 7.965 -1.641 15.163 1.00 0.00 O ATOM 664 OD2 ASP A 43 7.092 -2.266 17.081 1.00 0.00 O ATOM 0 H ASP A 43 7.130 -1.872 13.295 1.00 0.00 H new ATOM 0 HA ASP A 43 4.474 -0.767 13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.759 0.053 16.101 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.897 -1.473 16.069 1.00 0.00 H new ATOM 669 N GLU A 44 5.722 1.627 14.235 1.00 0.00 N ATOM 670 CA GLU A 44 6.232 2.941 13.862 1.00 0.00 C ATOM 671 C GLU A 44 7.583 3.207 14.520 1.00 0.00 C ATOM 672 O GLU A 44 7.816 4.284 15.068 1.00 0.00 O ATOM 673 CB GLU A 44 5.235 4.032 14.258 1.00 0.00 C ATOM 674 CG GLU A 44 4.870 4.015 15.733 1.00 0.00 C ATOM 675 CD GLU A 44 3.894 5.114 16.105 1.00 0.00 C ATOM 676 OE1 GLU A 44 2.951 5.360 15.324 1.00 0.00 O ATOM 677 OE2 GLU A 44 4.073 5.728 17.177 1.00 0.00 O ATOM 0 H GLU A 44 5.014 1.642 14.969 1.00 0.00 H new ATOM 0 HA GLU A 44 6.365 2.957 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.656 5.006 14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.327 3.915 13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.435 3.048 15.985 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.776 4.122 16.329 1.00 0.00 H new ATOM 684 N GLU A 45 8.469 2.218 14.461 1.00 0.00 N ATOM 685 CA GLU A 45 9.796 2.345 15.053 1.00 0.00 C ATOM 686 C GLU A 45 10.882 2.122 14.005 1.00 0.00 C ATOM 687 O GLU A 45 12.073 2.184 14.308 1.00 0.00 O ATOM 688 CB GLU A 45 9.965 1.346 16.199 1.00 0.00 C ATOM 689 CG GLU A 45 8.912 1.482 17.286 1.00 0.00 C ATOM 690 CD GLU A 45 9.371 0.920 18.617 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.983 -0.168 18.623 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.118 1.569 19.654 1.00 0.00 O ATOM 0 H GLU A 45 8.292 1.321 14.010 1.00 0.00 H new ATOM 0 HA GLU A 45 9.896 3.357 15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.930 0.334 15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.952 1.478 16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.656 2.534 17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.003 0.968 16.973 1.00 0.00 H new ATOM 699 N GLU A 46 10.462 1.862 12.771 1.00 0.00 N ATOM 700 CA GLU A 46 11.399 1.628 11.678 1.00 0.00 C ATOM 701 C GLU A 46 12.605 0.825 12.158 1.00 0.00 C ATOM 702 O GLU A 46 13.746 1.129 11.810 1.00 0.00 O ATOM 703 CB GLU A 46 11.863 2.958 11.082 1.00 0.00 C ATOM 704 CG GLU A 46 10.722 3.889 10.707 1.00 0.00 C ATOM 705 CD GLU A 46 11.199 5.281 10.344 1.00 0.00 C ATOM 706 OE1 GLU A 46 11.808 5.438 9.266 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.963 6.215 11.140 1.00 0.00 O ATOM 0 H GLU A 46 9.479 1.808 12.503 1.00 0.00 H new ATOM 0 HA GLU A 46 10.884 1.053 10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.511 3.462 11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.464 2.759 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.175 3.466 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.023 3.955 11.541 1.00 0.00 H new ATOM 714 N LYS A 47 12.343 -0.201 12.961 1.00 0.00 N ATOM 715 CA LYS A 47 13.405 -1.049 13.490 1.00 0.00 C ATOM 716 C LYS A 47 13.765 -2.151 12.498 1.00 0.00 C ATOM 717 O LYS A 47 14.936 -2.355 12.182 1.00 0.00 O ATOM 718 CB LYS A 47 12.976 -1.667 14.822 1.00 0.00 C ATOM 719 CG LYS A 47 12.812 -0.651 15.939 1.00 0.00 C ATOM 720 CD LYS A 47 14.152 -0.098 16.392 1.00 0.00 C ATOM 721 CE LYS A 47 13.979 1.083 17.334 1.00 0.00 C ATOM 722 NZ LYS A 47 13.887 0.650 18.756 1.00 0.00 N ATOM 0 H LYS A 47 11.404 -0.465 13.260 1.00 0.00 H new ATOM 0 HA LYS A 47 14.286 -0.428 13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.033 -2.195 14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.715 -2.410 15.123 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.177 0.166 15.598 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.305 -1.117 16.784 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.720 -0.883 16.891 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.732 0.211 15.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.819 1.767 17.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.079 1.634 17.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.770 1.484 19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.070 0.017 18.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.757 0.146 19.022 1.00 0.00 H new ATOM 736 N GLU A 48 12.750 -2.858 12.012 1.00 0.00 N ATOM 737 CA GLU A 48 12.961 -3.939 11.056 1.00 0.00 C ATOM 738 C GLU A 48 12.156 -3.703 9.781 1.00 0.00 C ATOM 739 O GLU A 48 10.925 -3.724 9.797 1.00 0.00 O ATOM 740 CB GLU A 48 12.571 -5.282 11.677 1.00 0.00 C ATOM 741 CG GLU A 48 13.546 -5.769 12.737 1.00 0.00 C ATOM 742 CD GLU A 48 13.225 -5.227 14.116 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.028 -5.036 14.416 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.172 -4.995 14.897 1.00 0.00 O ATOM 0 H GLU A 48 11.774 -2.702 12.264 1.00 0.00 H new ATOM 0 HA GLU A 48 14.020 -3.960 10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.579 -5.193 12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.501 -6.031 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.531 -6.859 12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.557 -5.471 12.460 1.00 0.00 H new ATOM 751 N LYS A 49 12.860 -3.478 8.677 1.00 0.00 N ATOM 752 CA LYS A 49 12.214 -3.239 7.392 1.00 0.00 C ATOM 753 C LYS A 49 11.796 -4.553 6.740 1.00 0.00 C ATOM 754 O LYS A 49 12.639 -5.349 6.328 1.00 0.00 O ATOM 755 CB LYS A 49 13.155 -2.471 6.461 1.00 0.00 C ATOM 756 CG LYS A 49 12.450 -1.833 5.276 1.00 0.00 C ATOM 757 CD LYS A 49 13.440 -1.384 4.214 1.00 0.00 C ATOM 758 CE LYS A 49 14.202 -0.143 4.652 1.00 0.00 C ATOM 759 NZ LYS A 49 15.524 -0.037 3.975 1.00 0.00 N ATOM 0 H LYS A 49 13.879 -3.456 8.646 1.00 0.00 H new ATOM 0 HA LYS A 49 11.320 -2.642 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.663 -1.694 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.923 -3.151 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.748 -2.545 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.867 -0.977 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.144 -2.190 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.909 -1.177 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.609 0.744 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.348 -0.169 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.013 0.822 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 16.100 -0.872 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.384 0.013 2.946 1.00 0.00 H new ATOM 773 N LYS A 50 10.489 -4.773 6.649 1.00 0.00 N ATOM 774 CA LYS A 50 9.958 -5.988 6.044 1.00 0.00 C ATOM 775 C LYS A 50 10.247 -6.023 4.547 1.00 0.00 C ATOM 776 O LYS A 50 10.823 -6.985 4.038 1.00 0.00 O ATOM 777 CB LYS A 50 8.450 -6.086 6.285 1.00 0.00 C ATOM 778 CG LYS A 50 8.086 -6.577 7.675 1.00 0.00 C ATOM 779 CD LYS A 50 8.065 -8.095 7.743 1.00 0.00 C ATOM 780 CE LYS A 50 7.742 -8.586 9.145 1.00 0.00 C ATOM 781 NZ LYS A 50 7.152 -9.953 9.132 1.00 0.00 N ATOM 0 H LYS A 50 9.778 -4.125 6.987 1.00 0.00 H new ATOM 0 HA LYS A 50 10.451 -6.841 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.001 -5.106 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.016 -6.759 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.804 -6.189 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.108 -6.186 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.325 -8.481 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.034 -8.487 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.651 -8.588 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.046 -7.895 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.946 -10.251 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.271 -9.946 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.826 -10.618 8.702 1.00 0.00 H new ATOM 795 N TYR A 51 9.846 -4.968 3.847 1.00 0.00 N ATOM 796 CA TYR A 51 10.062 -4.878 2.408 1.00 0.00 C ATOM 797 C TYR A 51 10.106 -3.423 1.953 1.00 0.00 C ATOM 798 O TYR A 51 9.655 -2.525 2.664 1.00 0.00 O ATOM 799 CB TYR A 51 8.957 -5.625 1.658 1.00 0.00 C ATOM 800 CG TYR A 51 9.234 -5.790 0.181 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.004 -4.749 -0.710 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.723 -6.988 -0.325 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.254 -4.895 -2.060 1.00 0.00 C ATOM 804 CE2 TYR A 51 9.978 -7.143 -1.674 1.00 0.00 C ATOM 805 CZ TYR A 51 9.741 -6.094 -2.538 1.00 0.00 C ATOM 806 OH TYR A 51 9.992 -6.244 -3.882 1.00 0.00 O ATOM 0 H TYR A 51 9.369 -4.163 4.253 1.00 0.00 H new ATOM 0 HA TYR A 51 11.023 -5.340 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.826 -6.610 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.016 -5.089 1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.623 -3.809 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.907 -7.812 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.069 -4.075 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.361 -8.080 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 51 10.332 -7.147 -4.052 1.00 0.00 H new ATOM 816 N MET A 52 10.653 -3.198 0.763 1.00 0.00 N ATOM 817 CA MET A 52 10.755 -1.852 0.211 1.00 0.00 C ATOM 818 C MET A 52 10.231 -1.810 -1.221 1.00 0.00 C ATOM 819 O MET A 52 10.727 -2.522 -2.095 1.00 0.00 O ATOM 820 CB MET A 52 12.207 -1.371 0.250 1.00 0.00 C ATOM 821 CG MET A 52 12.387 0.056 -0.242 1.00 0.00 C ATOM 822 SD MET A 52 14.092 0.423 -0.700 1.00 0.00 S ATOM 823 CE MET A 52 14.035 0.142 -2.468 1.00 0.00 C ATOM 0 H MET A 52 11.032 -3.930 0.163 1.00 0.00 H new ATOM 0 HA MET A 52 10.143 -1.188 0.822 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.578 -1.444 1.272 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.818 -2.037 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.740 0.224 -1.103 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.067 0.748 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 52 15.019 0.329 -2.898 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.744 -0.890 -2.663 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.308 0.816 -2.920 1.00 0.00 H new ATOM 833 N LEU A 53 9.227 -0.973 -1.454 1.00 0.00 N ATOM 834 CA LEU A 53 8.635 -0.839 -2.781 1.00 0.00 C ATOM 835 C LEU A 53 8.789 0.586 -3.304 1.00 0.00 C ATOM 836 O LEU A 53 8.553 1.563 -2.594 1.00 0.00 O ATOM 837 CB LEU A 53 7.155 -1.224 -2.743 1.00 0.00 C ATOM 838 CG LEU A 53 6.582 -1.815 -4.031 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.232 -3.155 -4.339 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.071 -1.966 -3.922 1.00 0.00 C ATOM 0 H LEU A 53 8.805 -0.377 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 53 9.161 -1.513 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.008 -1.946 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.576 -0.337 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 53 6.801 -1.131 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.811 -3.560 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.307 -3.019 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.044 -3.848 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.680 -2.388 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.831 -2.629 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.619 -0.989 -3.749 1.00 0.00 H new ATOM 852 N PRO A 54 9.192 0.709 -4.578 1.00 0.00 N ATOM 853 CA PRO A 54 9.383 2.010 -5.225 1.00 0.00 C ATOM 854 C PRO A 54 8.064 2.735 -5.470 1.00 0.00 C ATOM 855 O PRO A 54 6.991 2.133 -5.404 1.00 0.00 O ATOM 856 CB PRO A 54 10.050 1.649 -6.555 1.00 0.00 C ATOM 857 CG PRO A 54 9.620 0.249 -6.827 1.00 0.00 C ATOM 858 CD PRO A 54 9.491 -0.413 -5.483 1.00 0.00 C ATOM 0 HA PRO A 54 9.970 2.690 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.734 2.322 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.135 1.724 -6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.672 0.229 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.350 -0.269 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.695 -1.158 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.410 -0.926 -5.198 1.00 0.00 H new ATOM 866 N LEU A 55 8.150 4.030 -5.753 1.00 0.00 N ATOM 867 CA LEU A 55 6.962 4.838 -6.008 1.00 0.00 C ATOM 868 C LEU A 55 6.954 5.355 -7.443 1.00 0.00 C ATOM 869 O LEU A 55 6.344 6.382 -7.740 1.00 0.00 O ATOM 870 CB LEU A 55 6.901 6.013 -5.030 1.00 0.00 C ATOM 871 CG LEU A 55 7.484 5.760 -3.640 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.434 7.028 -2.801 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.737 4.630 -2.946 1.00 0.00 C ATOM 0 H LEU A 55 9.030 4.543 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 55 6.085 4.207 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.427 6.858 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.859 6.311 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 55 8.527 5.464 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.853 6.829 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.014 7.811 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.399 7.354 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.166 4.464 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.685 4.897 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.825 3.719 -3.538 1.00 0.00 H new ATOM 885 N ASP A 56 7.632 4.635 -8.330 1.00 0.00 N ATOM 886 CA ASP A 56 7.700 5.019 -9.735 1.00 0.00 C ATOM 887 C ASP A 56 6.979 4.000 -10.612 1.00 0.00 C ATOM 888 O ASP A 56 6.360 4.357 -11.613 1.00 0.00 O ATOM 889 CB ASP A 56 9.158 5.151 -10.180 1.00 0.00 C ATOM 890 CG ASP A 56 9.726 6.529 -9.898 1.00 0.00 C ATOM 891 OD1 ASP A 56 10.017 6.821 -8.720 1.00 0.00 O ATOM 892 OD2 ASP A 56 9.879 7.315 -10.857 1.00 0.00 O ATOM 0 H ASP A 56 8.142 3.782 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 56 7.205 5.984 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.761 4.401 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.229 4.943 -11.248 1.00 0.00 H new ATOM 897 N ASN A 57 7.064 2.730 -10.228 1.00 0.00 N ATOM 898 CA ASN A 57 6.421 1.660 -10.981 1.00 0.00 C ATOM 899 C ASN A 57 5.150 1.190 -10.279 1.00 0.00 C ATOM 900 O ASN A 57 4.792 0.013 -10.342 1.00 0.00 O ATOM 901 CB ASN A 57 7.383 0.484 -11.159 1.00 0.00 C ATOM 902 CG ASN A 57 8.824 0.933 -11.308 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.601 0.890 -10.355 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.186 1.368 -12.510 1.00 0.00 N ATOM 0 H ASN A 57 7.572 2.417 -9.400 1.00 0.00 H new ATOM 0 HA ASN A 57 6.151 2.051 -11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.300 -0.183 -10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.092 -0.090 -12.038 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.142 1.684 -12.671 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.508 1.386 -13.271 1.00 0.00 H new ATOM 911 N LEU A 58 4.472 2.117 -9.612 1.00 0.00 N ATOM 912 CA LEU A 58 3.239 1.798 -8.899 1.00 0.00 C ATOM 913 C LEU A 58 2.055 2.553 -9.495 1.00 0.00 C ATOM 914 O LEU A 58 2.231 3.503 -10.258 1.00 0.00 O ATOM 915 CB LEU A 58 3.383 2.141 -7.415 1.00 0.00 C ATOM 916 CG LEU A 58 4.582 1.520 -6.696 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.442 1.680 -5.190 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.725 0.052 -7.068 1.00 0.00 C ATOM 0 H LEU A 58 4.754 3.095 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 58 3.053 0.729 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.448 3.225 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.474 1.828 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 58 5.484 2.044 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.304 1.232 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.390 2.740 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.532 1.183 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.583 -0.373 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.822 -0.486 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.873 -0.038 -8.144 1.00 0.00 H new ATOM 930 N LYS A 59 0.848 2.126 -9.138 1.00 0.00 N ATOM 931 CA LYS A 59 -0.366 2.763 -9.634 1.00 0.00 C ATOM 932 C LYS A 59 -1.558 2.428 -8.743 1.00 0.00 C ATOM 933 O LYS A 59 -1.607 1.360 -8.132 1.00 0.00 O ATOM 934 CB LYS A 59 -0.649 2.320 -11.071 1.00 0.00 C ATOM 935 CG LYS A 59 -1.564 3.265 -11.830 1.00 0.00 C ATOM 936 CD LYS A 59 -1.258 3.262 -13.318 1.00 0.00 C ATOM 937 CE LYS A 59 -1.836 4.489 -14.008 1.00 0.00 C ATOM 938 NZ LYS A 59 -2.075 4.248 -15.458 1.00 0.00 N ATOM 0 H LYS A 59 0.685 1.341 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.214 3.842 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.296 2.233 -11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.099 1.327 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.602 2.974 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.452 4.275 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.179 3.233 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.668 2.360 -13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.773 4.769 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.153 5.329 -13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.469 5.107 -15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.176 4.006 -15.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.747 3.463 -15.573 1.00 0.00 H new ATOM 952 N ILE A 60 -2.517 3.345 -8.675 1.00 0.00 N ATOM 953 CA ILE A 60 -3.709 3.145 -7.862 1.00 0.00 C ATOM 954 C ILE A 60 -4.946 2.956 -8.735 1.00 0.00 C ATOM 955 O ILE A 60 -5.146 3.681 -9.710 1.00 0.00 O ATOM 956 CB ILE A 60 -3.945 4.330 -6.907 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.768 4.476 -5.940 1.00 0.00 C ATOM 958 CG2 ILE A 60 -5.246 4.142 -6.140 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.902 5.651 -4.998 1.00 0.00 C ATOM 0 H ILE A 60 -2.491 4.234 -9.174 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.541 2.243 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.022 5.243 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.673 3.561 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.848 4.584 -6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.398 4.988 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.077 4.082 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.195 3.222 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.032 5.693 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.966 6.574 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.804 5.535 -4.397 1.00 0.00 H new ATOM 971 N ARG A 61 -5.773 1.980 -8.377 1.00 0.00 N ATOM 972 CA ARG A 61 -6.990 1.696 -9.127 1.00 0.00 C ATOM 973 C ARG A 61 -8.098 1.204 -8.200 1.00 0.00 C ATOM 974 O ARG A 61 -7.836 0.508 -7.219 1.00 0.00 O ATOM 975 CB ARG A 61 -6.716 0.652 -10.210 1.00 0.00 C ATOM 976 CG ARG A 61 -6.161 -0.656 -9.669 1.00 0.00 C ATOM 977 CD ARG A 61 -6.158 -1.742 -10.733 1.00 0.00 C ATOM 978 NE ARG A 61 -7.474 -2.355 -10.892 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.758 -3.251 -11.831 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.824 -3.637 -12.689 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.980 -3.764 -11.912 1.00 0.00 N ATOM 0 H ARG A 61 -5.622 1.372 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.319 2.621 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.641 0.449 -10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.011 1.065 -10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.146 -0.499 -9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.758 -0.981 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.839 -1.317 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.431 -2.509 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.215 -2.080 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.884 -3.246 -12.629 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.046 -4.325 -13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.701 -3.470 -11.253 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.198 -4.452 -12.633 1.00 0.00 H new ATOM 995 N ASP A 62 -9.334 1.571 -8.518 1.00 0.00 N ATOM 996 CA ASP A 62 -10.482 1.166 -7.714 1.00 0.00 C ATOM 997 C ASP A 62 -10.684 -0.344 -7.777 1.00 0.00 C ATOM 998 O ASP A 62 -10.485 -0.965 -8.821 1.00 0.00 O ATOM 999 CB ASP A 62 -11.745 1.883 -8.194 1.00 0.00 C ATOM 1000 CG ASP A 62 -12.757 2.080 -7.082 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -13.155 1.074 -6.458 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -13.152 3.239 -6.837 1.00 0.00 O ATOM 0 H ASP A 62 -9.567 2.148 -9.326 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.286 1.445 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.473 2.853 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.202 1.308 -8.999 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.813 -1.645 2.189 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.106 -0.535 2.818 1.00 0.00 C ATOM 1131 C LYS A 71 -14.161 0.138 1.828 1.00 0.00 C ATOM 1132 O LYS A 71 -14.118 -0.223 0.651 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.321 -1.028 4.035 1.00 0.00 C ATOM 1134 CG LYS A 71 -15.118 -0.994 5.328 1.00 0.00 C ATOM 1135 CD LYS A 71 -14.429 -1.783 6.429 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.336 -0.966 7.099 1.00 0.00 C ATOM 1137 NZ LYS A 71 -12.881 -1.588 8.373 1.00 0.00 N ATOM 0 HA LYS A 71 -15.845 0.197 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.986 -2.049 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.427 -0.415 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.250 0.040 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.113 -1.403 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.164 -2.089 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.000 -2.694 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.489 -0.867 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.705 0.040 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.136 -1.001 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.684 -1.660 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.505 -2.539 8.181 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.404 1.117 2.313 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.457 1.839 1.471 1.00 0.00 C ATOM 1153 C HIS A 72 -11.141 1.075 1.353 1.00 0.00 C ATOM 1154 O HIS A 72 -10.315 1.097 2.266 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.200 3.236 2.038 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.377 3.815 2.760 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.330 4.596 2.140 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.754 3.722 4.057 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.241 4.959 3.025 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.915 4.442 4.196 1.00 0.00 N ATOM 0 H HIS A 72 -13.428 1.428 3.284 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.892 1.933 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.351 3.192 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.919 3.904 1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.238 3.182 4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.106 5.574 2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.440 4.559 5.063 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.954 0.399 0.224 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.739 -0.372 -0.013 1.00 0.00 C ATOM 1171 C VAL A 73 -9.200 -0.129 -1.418 1.00 0.00 C ATOM 1172 O VAL A 73 -9.884 -0.383 -2.410 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.986 -1.880 0.178 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -8.666 -2.636 0.219 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -10.794 -2.132 1.441 1.00 0.00 C ATOM 0 H VAL A 73 -11.628 0.370 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.003 -0.037 0.718 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.561 -2.247 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.860 -3.700 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.129 -2.481 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.062 -2.269 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -10.959 -3.203 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.248 -1.751 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.755 -1.623 1.366 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.968 0.363 -1.496 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.336 0.641 -2.781 1.00 0.00 C ATOM 1187 C PHE A 74 -6.166 -0.307 -3.027 1.00 0.00 C ATOM 1188 O PHE A 74 -5.330 -0.519 -2.150 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.851 2.091 -2.832 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.764 2.395 -1.842 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.062 2.586 -0.502 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.443 2.489 -2.250 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.063 2.866 0.411 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.440 2.769 -1.341 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.750 2.957 -0.009 1.00 0.00 C ATOM 0 H PHE A 74 -7.387 0.577 -0.685 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.078 0.486 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.488 2.309 -3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.696 2.755 -2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.086 2.515 -0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.194 2.342 -3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.309 3.014 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.415 2.841 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.968 3.175 0.703 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.116 -0.875 -4.228 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.048 -1.799 -4.591 1.00 0.00 C ATOM 1207 C ALA A 75 -3.965 -1.095 -5.401 1.00 0.00 C ATOM 1208 O ALA A 75 -4.249 -0.177 -6.170 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.613 -2.976 -5.373 1.00 0.00 C ATOM 0 H ALA A 75 -6.802 -0.712 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.594 -2.171 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.805 -3.658 -5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.346 -3.502 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.093 -2.612 -6.281 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.722 -1.531 -5.222 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.596 -0.942 -5.936 1.00 0.00 C ATOM 1217 C ILE A 76 -0.908 -1.974 -6.824 1.00 0.00 C ATOM 1218 O ILE A 76 -0.369 -2.967 -6.336 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.562 -0.346 -4.963 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.147 0.870 -4.243 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.709 0.033 -5.709 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.228 1.450 -3.191 1.00 0.00 C ATOM 0 H ILE A 76 -2.470 -2.290 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.999 -0.143 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.311 -1.099 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.377 1.641 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.089 0.586 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.431 0.453 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.133 -0.854 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.475 0.772 -6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.708 2.309 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.018 0.694 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.705 1.766 -3.657 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.930 -1.731 -8.130 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.307 -2.638 -9.087 1.00 0.00 C ATOM 1236 C PHE A 77 0.859 -1.960 -9.800 1.00 0.00 C ATOM 1237 O PHE A 77 1.005 -0.740 -9.750 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.337 -3.119 -10.111 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.814 -2.035 -11.035 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -2.868 -1.211 -10.672 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -1.210 -1.840 -12.266 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -3.309 -0.212 -11.520 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -1.646 -0.843 -13.118 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.698 -0.029 -12.745 1.00 0.00 C ATOM 0 H PHE A 77 -1.372 -0.914 -8.550 1.00 0.00 H new ATOM 0 HA PHE A 77 0.077 -3.498 -8.538 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.901 -3.924 -10.703 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.193 -3.539 -9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.350 -1.351 -9.716 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.388 -2.475 -12.564 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.130 0.424 -11.225 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.165 -0.700 -14.074 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.042 0.749 -13.410 1.00 0.00 H new ATOM 1254 N ASN A 78 1.685 -2.761 -10.464 1.00 0.00 N ATOM 1255 CA ASN A 78 2.839 -2.240 -11.187 1.00 0.00 C ATOM 1256 C ASN A 78 2.541 -2.127 -12.679 1.00 0.00 C ATOM 1257 O ASN A 78 2.318 -3.131 -13.357 1.00 0.00 O ATOM 1258 CB ASN A 78 4.056 -3.140 -10.966 1.00 0.00 C ATOM 1259 CG ASN A 78 5.334 -2.528 -11.507 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.307 -1.746 -12.457 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.462 -2.884 -10.902 1.00 0.00 N ATOM 0 H ASN A 78 1.577 -3.774 -10.516 1.00 0.00 H new ATOM 0 HA ASN A 78 3.057 -1.244 -10.801 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.172 -3.334 -9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.885 -4.103 -11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.354 -2.506 -11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.436 -3.536 -10.118 1.00 0.00 H new ATOM 1268 N THR A 79 2.538 -0.898 -13.186 1.00 0.00 N ATOM 1269 CA THR A 79 2.266 -0.653 -14.597 1.00 0.00 C ATOM 1270 C THR A 79 3.088 -1.582 -15.484 1.00 0.00 C ATOM 1271 O THR A 79 2.743 -1.814 -16.642 1.00 0.00 O ATOM 1272 CB THR A 79 2.569 0.807 -14.982 1.00 0.00 C ATOM 1273 OG1 THR A 79 3.970 1.070 -14.844 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.779 1.771 -14.110 1.00 0.00 C ATOM 0 H THR A 79 2.721 -0.056 -12.640 1.00 0.00 H new ATOM 0 HA THR A 79 1.205 -0.849 -14.754 1.00 0.00 H new ATOM 0 HB THR A 79 2.273 0.955 -16.021 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.154 2.000 -15.092 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.009 2.796 -14.400 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.712 1.588 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.049 1.621 -13.065 1.00 0.00 H new ATOM 1282 N GLU A 80 4.176 -2.110 -14.932 1.00 0.00 N ATOM 1283 CA GLU A 80 5.047 -3.014 -15.675 1.00 0.00 C ATOM 1284 C GLU A 80 4.596 -4.462 -15.510 1.00 0.00 C ATOM 1285 O GLU A 80 3.614 -4.742 -14.822 1.00 0.00 O ATOM 1286 CB GLU A 80 6.495 -2.862 -15.207 1.00 0.00 C ATOM 1287 CG GLU A 80 7.007 -1.433 -15.263 1.00 0.00 C ATOM 1288 CD GLU A 80 7.275 -0.965 -16.680 1.00 0.00 C ATOM 1289 OE1 GLU A 80 8.393 -1.200 -17.183 1.00 0.00 O ATOM 1290 OE2 GLU A 80 6.364 -0.363 -17.287 1.00 0.00 O ATOM 0 H GLU A 80 4.475 -1.928 -13.974 1.00 0.00 H new ATOM 0 HA GLU A 80 4.985 -2.751 -16.731 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.577 -3.228 -14.184 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.135 -3.493 -15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.277 -0.771 -14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.924 -1.356 -14.679 1.00 0.00 H new ATOM 1352 N VAL A 84 4.226 -6.855 -7.652 1.00 0.00 N ATOM 1353 CA VAL A 84 4.412 -5.868 -6.595 1.00 0.00 C ATOM 1354 C VAL A 84 4.783 -6.537 -5.276 1.00 0.00 C ATOM 1355 O VAL A 84 5.586 -6.011 -4.505 1.00 0.00 O ATOM 1356 CB VAL A 84 3.142 -5.020 -6.389 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.809 -4.241 -7.652 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.975 -5.903 -5.973 1.00 0.00 C ATOM 0 HA VAL A 84 5.228 -5.217 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 84 3.329 -4.304 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.909 -3.648 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.639 -3.580 -7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.640 -4.936 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.086 -5.288 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.784 -6.644 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.217 -6.410 -5.039 1.00 0.00 H new ATOM 1368 N TYR A 85 4.194 -7.700 -5.024 1.00 0.00 N ATOM 1369 CA TYR A 85 4.461 -8.442 -3.797 1.00 0.00 C ATOM 1370 C TYR A 85 4.974 -9.844 -4.109 1.00 0.00 C ATOM 1371 O TYR A 85 5.163 -10.206 -5.271 1.00 0.00 O ATOM 1372 CB TYR A 85 3.195 -8.529 -2.943 1.00 0.00 C ATOM 1373 CG TYR A 85 3.471 -8.714 -1.468 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.175 -7.757 -0.748 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.029 -9.846 -0.795 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.430 -7.922 0.600 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.278 -10.019 0.553 1.00 0.00 C ATOM 1378 CZ TYR A 85 3.979 -9.054 1.246 1.00 0.00 C ATOM 1379 OH TYR A 85 4.231 -9.223 2.588 1.00 0.00 O ATOM 0 H TYR A 85 3.528 -8.150 -5.653 1.00 0.00 H new ATOM 0 HA TYR A 85 5.231 -7.908 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.609 -7.621 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.585 -9.360 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.529 -6.869 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.481 -10.604 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.980 -7.169 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.926 -10.905 1.061 1.00 0.00 H new ATOM 0 HH TYR A 85 3.845 -10.072 2.889 1.00 0.00 H new ATOM 1389 N LYS A 86 5.198 -10.631 -3.062 1.00 0.00 N ATOM 1390 CA LYS A 86 5.688 -11.995 -3.221 1.00 0.00 C ATOM 1391 C LYS A 86 4.877 -12.746 -4.272 1.00 0.00 C ATOM 1392 O LYS A 86 5.365 -13.018 -5.369 1.00 0.00 O ATOM 1393 CB LYS A 86 5.627 -12.740 -1.886 1.00 0.00 C ATOM 1394 CG LYS A 86 6.805 -12.450 -0.972 1.00 0.00 C ATOM 1395 CD LYS A 86 6.716 -13.242 0.322 1.00 0.00 C ATOM 1396 CE LYS A 86 5.953 -12.475 1.392 1.00 0.00 C ATOM 1397 NZ LYS A 86 6.386 -12.860 2.764 1.00 0.00 N ATOM 0 H LYS A 86 5.048 -10.347 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 86 6.724 -11.945 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.704 -12.471 -1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.584 -13.812 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.734 -12.695 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.837 -11.384 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.222 -14.195 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.720 -13.469 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.105 -11.405 1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.885 -12.663 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.843 -12.316 3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.218 -13.876 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.400 -12.657 2.878 1.00 0.00 H new ATOM 1411 N ASP A 87 3.637 -13.077 -3.930 1.00 0.00 N ATOM 1412 CA ASP A 87 2.756 -13.794 -4.845 1.00 0.00 C ATOM 1413 C ASP A 87 1.451 -13.033 -5.051 1.00 0.00 C ATOM 1414 O ASP A 87 0.370 -13.624 -5.064 1.00 0.00 O ATOM 1415 CB ASP A 87 2.464 -15.197 -4.311 1.00 0.00 C ATOM 1416 CG ASP A 87 2.030 -15.185 -2.858 1.00 0.00 C ATOM 1417 OD1 ASP A 87 1.503 -14.148 -2.405 1.00 0.00 O ATOM 1418 OD2 ASP A 87 2.219 -16.213 -2.174 1.00 0.00 O ATOM 0 H ASP A 87 3.219 -12.860 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 87 3.262 -13.878 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.684 -15.658 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.356 -15.815 -4.416 1.00 0.00 H new ATOM 1423 N LEU A 88 1.557 -11.718 -5.212 1.00 0.00 N ATOM 1424 CA LEU A 88 0.385 -10.875 -5.417 1.00 0.00 C ATOM 1425 C LEU A 88 0.646 -9.833 -6.500 1.00 0.00 C ATOM 1426 O LEU A 88 1.659 -9.135 -6.471 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.005 -10.182 -4.110 1.00 0.00 C ATOM 1428 CG LEU A 88 0.060 -11.044 -2.848 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.010 -10.174 -1.603 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.062 -12.073 -2.847 1.00 0.00 C ATOM 0 H LEU A 88 2.443 -11.213 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.437 -11.512 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.647 -9.320 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.021 -9.800 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 88 1.012 -11.574 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.038 -10.805 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.828 -9.477 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.946 -9.616 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.000 -12.677 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.024 -11.562 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.966 -12.717 -3.721 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.276 -9.733 -7.452 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.146 -8.775 -8.543 1.00 0.00 C ATOM 1444 C ARG A 89 -0.377 -7.351 -8.047 1.00 0.00 C ATOM 1445 O ARG A 89 0.214 -6.401 -8.561 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.137 -9.105 -9.661 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.618 -10.134 -10.651 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.406 -10.104 -11.951 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.577 -10.975 -11.902 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.347 -11.232 -12.953 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -3.071 -10.688 -14.130 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -4.395 -12.036 -12.829 1.00 0.00 N ATOM 0 H ARG A 89 -1.121 -10.303 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 89 0.869 -8.844 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.062 -9.474 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.384 -8.189 -10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.435 -9.942 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.680 -11.129 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.723 -9.082 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.760 -10.411 -12.773 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.817 -11.410 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.265 -10.070 -14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.664 -10.887 -14.936 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.610 -12.458 -11.926 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.986 -12.232 -13.637 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.241 -7.211 -7.047 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.551 -5.902 -6.483 1.00 0.00 C ATOM 1468 C GLN A 90 -1.934 -6.021 -5.012 1.00 0.00 C ATOM 1469 O GLN A 90 -2.770 -6.846 -4.643 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.687 -5.242 -7.267 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.949 -6.087 -7.337 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.978 -5.520 -8.295 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.632 -4.915 -9.309 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.253 -5.713 -7.976 1.00 0.00 N ATOM 0 H GLN A 90 -1.739 -7.987 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.659 -5.281 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.926 -4.284 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.344 -5.032 -8.280 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.688 -7.099 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.387 -6.162 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.495 -6.221 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.990 -5.354 -8.582 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.318 -5.191 -4.177 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.596 -5.203 -2.746 1.00 0.00 C ATOM 1485 C ILE A 91 -2.805 -4.336 -2.413 1.00 0.00 C ATOM 1486 O ILE A 91 -2.843 -3.152 -2.747 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.385 -4.708 -1.933 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.904 -5.347 -2.456 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.575 -5.019 -0.456 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.155 -4.593 -2.063 1.00 0.00 C ATOM 0 H ILE A 91 -0.624 -4.502 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.808 -6.237 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.306 -3.627 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.972 -6.368 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.854 -5.410 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.289 -4.663 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.474 -4.521 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.677 -6.096 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.029 -5.103 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.109 -3.579 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.229 -4.553 -0.976 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.792 -4.934 -1.753 1.00 0.00 N ATOM 1503 CA GLU A 92 -5.003 -4.215 -1.374 1.00 0.00 C ATOM 1504 C GLU A 92 -4.861 -3.607 0.018 1.00 0.00 C ATOM 1505 O GLU A 92 -4.726 -4.323 1.011 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.212 -5.152 -1.413 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.751 -5.393 -2.813 1.00 0.00 C ATOM 1508 CD GLU A 92 -6.090 -6.573 -3.498 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -6.538 -7.717 -3.274 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -5.124 -6.352 -4.259 1.00 0.00 O ATOM 0 H GLU A 92 -3.777 -5.914 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.155 -3.408 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.934 -6.108 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.006 -4.733 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.826 -5.564 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.600 -4.497 -3.415 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.893 -2.280 0.083 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.768 -1.573 1.353 1.00 0.00 C ATOM 1519 C LEU A 93 -6.113 -1.003 1.794 1.00 0.00 C ATOM 1520 O LEU A 93 -6.710 -0.185 1.095 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.739 -0.448 1.234 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.328 -0.870 0.824 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.494 0.346 0.451 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.659 -1.653 1.945 1.00 0.00 C ATOM 0 H LEU A 93 -5.004 -1.672 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.432 -2.286 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.105 0.277 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.679 0.065 2.194 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.403 -1.516 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.493 0.026 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.963 0.867 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.427 1.018 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.655 -1.945 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.597 -1.030 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.245 -2.545 2.166 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.582 -1.440 2.958 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.854 -0.971 3.494 1.00 0.00 C ATOM 1538 C ALA A 94 -7.642 0.151 4.505 1.00 0.00 C ATOM 1539 O ALA A 94 -6.534 0.349 5.003 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.615 -2.123 4.132 1.00 0.00 C ATOM 0 H ALA A 94 -6.100 -2.118 3.548 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.445 -0.574 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.563 -1.758 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.806 -2.892 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.022 -2.546 4.943 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.711 0.881 4.804 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.642 1.984 5.755 1.00 0.00 C ATOM 1548 C CYS A 95 -9.908 2.049 6.604 1.00 0.00 C ATOM 1549 O CYS A 95 -10.828 1.251 6.427 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.439 3.308 5.018 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.788 3.513 4.310 1.00 0.00 S ATOM 0 H CYS A 95 -9.636 0.729 4.401 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.792 1.810 6.415 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.177 3.384 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.631 4.129 5.709 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.715 4.662 3.706 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.945 3.004 7.528 1.00 0.00 N ATOM 1558 CA ASP A 96 -11.098 3.174 8.405 1.00 0.00 C ATOM 1559 C ASP A 96 -12.226 3.906 7.686 1.00 0.00 C ATOM 1560 O ASP A 96 -13.372 3.457 7.688 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.697 3.941 9.666 1.00 0.00 C ATOM 1562 CG ASP A 96 -9.423 3.405 10.290 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -8.378 3.414 9.607 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -9.472 2.977 11.462 1.00 0.00 O ATOM 0 H ASP A 96 -9.191 3.671 7.689 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.456 2.184 8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.562 4.994 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.506 3.885 10.394 1.00 0.00 H new ATOM 1569 N SER A 97 -11.893 5.037 7.072 1.00 0.00 N ATOM 1570 CA SER A 97 -12.879 5.835 6.352 1.00 0.00 C ATOM 1571 C SER A 97 -12.230 6.584 5.192 1.00 0.00 C ATOM 1572 O SER A 97 -11.005 6.634 5.080 1.00 0.00 O ATOM 1573 CB SER A 97 -13.554 6.827 7.301 1.00 0.00 C ATOM 1574 OG SER A 97 -14.654 6.230 7.965 1.00 0.00 O ATOM 0 H SER A 97 -10.948 5.421 7.059 1.00 0.00 H new ATOM 0 HA SER A 97 -13.633 5.159 5.948 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.831 7.182 8.035 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.893 7.698 6.740 1.00 0.00 H new ATOM 0 HG SER A 97 -14.520 5.260 8.013 1.00 0.00 H new ATOM 1580 N GLN A 98 -13.060 7.164 4.332 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.568 7.910 3.180 1.00 0.00 C ATOM 1582 C GLN A 98 -11.477 8.893 3.594 1.00 0.00 C ATOM 1583 O GLN A 98 -10.435 8.986 2.946 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.716 8.660 2.502 1.00 0.00 C ATOM 1585 CG GLN A 98 -14.407 7.858 1.411 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.593 7.789 0.134 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.545 8.747 -0.638 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.947 6.652 -0.096 1.00 0.00 N ATOM 0 H GLN A 98 -14.076 7.132 4.411 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.142 7.198 2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.451 8.940 3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.331 9.585 2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.596 6.847 1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -15.377 8.306 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -13.015 5.883 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.383 6.547 -0.940 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.725 9.624 4.676 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.764 10.600 5.174 1.00 0.00 C ATOM 1599 C GLU A 99 -9.337 10.078 5.035 1.00 0.00 C ATOM 1600 O GLU A 99 -8.452 10.782 4.546 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.056 10.935 6.639 1.00 0.00 C ATOM 1602 CG GLU A 99 -10.160 12.024 7.204 1.00 0.00 C ATOM 1603 CD GLU A 99 -10.460 12.329 8.659 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -9.868 11.670 9.539 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -11.288 13.228 8.917 1.00 0.00 O ATOM 0 H GLU A 99 -12.583 9.559 5.224 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.861 11.506 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.096 11.248 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.940 10.033 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.118 11.718 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -10.282 12.932 6.614 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.120 8.842 5.469 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.801 8.224 5.392 1.00 0.00 C ATOM 1614 C ASP A 100 -7.366 8.051 3.941 1.00 0.00 C ATOM 1615 O ASP A 100 -6.423 8.697 3.483 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.807 6.869 6.101 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.604 6.998 7.598 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.538 7.500 8.012 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.512 6.597 8.356 1.00 0.00 O ATOM 0 H ASP A 100 -9.841 8.247 5.878 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.089 8.882 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.754 6.365 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.021 6.240 5.683 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.057 7.173 3.221 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.742 6.915 1.821 1.00 0.00 C ATOM 1626 C VAL A 101 -7.472 8.213 1.070 1.00 0.00 C ATOM 1627 O VAL A 101 -6.405 8.391 0.481 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.884 6.156 1.120 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.606 6.031 -0.371 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.080 4.786 1.751 1.00 0.00 C ATOM 0 H VAL A 101 -8.839 6.628 3.584 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.844 6.298 1.807 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.806 6.724 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.424 5.492 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.521 7.025 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.674 5.486 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.891 4.264 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.161 4.207 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.329 4.903 2.806 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.444 9.118 1.095 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.311 10.402 0.417 1.00 0.00 C ATOM 1642 C ASP A 102 -6.963 11.044 0.728 1.00 0.00 C ATOM 1643 O ASP A 102 -6.262 11.506 -0.172 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.445 11.342 0.831 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.792 12.344 -0.252 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.671 11.994 -1.445 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.186 13.477 0.093 1.00 0.00 O ATOM 0 H ASP A 102 -9.333 8.986 1.578 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.370 10.225 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.330 10.754 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.158 11.876 1.737 1.00 0.00 H new ATOM 1652 N SER A 103 -6.607 11.070 2.009 1.00 0.00 N ATOM 1653 CA SER A 103 -5.345 11.659 2.440 1.00 0.00 C ATOM 1654 C SER A 103 -4.167 10.783 2.025 1.00 0.00 C ATOM 1655 O SER A 103 -3.023 11.238 1.989 1.00 0.00 O ATOM 1656 CB SER A 103 -5.341 11.855 3.957 1.00 0.00 C ATOM 1657 OG SER A 103 -4.394 12.837 4.342 1.00 0.00 O ATOM 0 H SER A 103 -7.175 10.690 2.766 1.00 0.00 H new ATOM 0 HA SER A 103 -5.241 12.630 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.335 12.153 4.291 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.110 10.910 4.448 1.00 0.00 H new ATOM 0 HG SER A 103 -4.412 12.945 5.316 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.454 9.525 1.712 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.419 8.584 1.300 1.00 0.00 C ATOM 1665 C TRP A 104 -3.171 8.672 -0.202 1.00 0.00 C ATOM 1666 O TRP A 104 -2.167 8.168 -0.706 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.817 7.157 1.681 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.337 6.751 3.042 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -4.105 6.539 4.151 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.983 6.509 3.436 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.309 6.180 5.212 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -2.003 6.154 4.799 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.755 6.556 2.771 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.842 5.849 5.506 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.396 6.254 3.474 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.346 5.903 4.829 1.00 0.00 C ATOM 0 H TRP A 104 -5.395 9.133 1.736 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.497 8.847 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.903 7.068 1.645 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.416 6.465 0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -5.180 6.639 4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.637 5.967 6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.706 6.824 1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.878 5.580 6.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.350 6.289 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.263 5.670 5.350 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.091 9.315 -0.913 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.972 9.471 -2.358 1.00 0.00 C ATOM 1689 C LYS A 105 -2.968 10.565 -2.706 1.00 0.00 C ATOM 1690 O LYS A 105 -1.967 10.311 -3.375 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.335 9.800 -2.970 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.471 8.961 -2.413 1.00 0.00 C ATOM 1693 CD LYS A 105 -6.054 7.511 -2.227 1.00 0.00 C ATOM 1694 CE LYS A 105 -5.922 6.794 -3.562 1.00 0.00 C ATOM 1695 NZ LYS A 105 -7.201 6.156 -3.978 1.00 0.00 N ATOM 0 H LYS A 105 -4.928 9.737 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.613 8.529 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.555 10.854 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.283 9.656 -4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.794 9.373 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.326 9.011 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.103 7.470 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.789 6.997 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.605 7.504 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.144 6.034 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.226 6.072 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.272 5.210 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.000 6.740 -3.659 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.242 11.781 -2.247 1.00 0.00 N ATOM 1710 CA ALA A 106 -2.361 12.913 -2.507 1.00 0.00 C ATOM 1711 C ALA A 106 -0.912 12.567 -2.182 1.00 0.00 C ATOM 1712 O ALA A 106 0.005 12.939 -2.914 1.00 0.00 O ATOM 1713 CB ALA A 106 -2.809 14.126 -1.705 1.00 0.00 C ATOM 0 H ALA A 106 -4.068 12.008 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.421 13.151 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -2.142 14.964 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.826 14.395 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.780 13.890 -0.641 1.00 0.00 H new ATOM 1719 N SER A 107 -0.712 11.852 -1.079 1.00 0.00 N ATOM 1720 CA SER A 107 0.626 11.459 -0.654 1.00 0.00 C ATOM 1721 C SER A 107 1.307 10.607 -1.721 1.00 0.00 C ATOM 1722 O SER A 107 2.504 10.746 -1.973 1.00 0.00 O ATOM 1723 CB SER A 107 0.560 10.688 0.665 1.00 0.00 C ATOM 1724 OG SER A 107 0.173 9.342 0.450 1.00 0.00 O ATOM 0 H SER A 107 -1.460 11.533 -0.464 1.00 0.00 H new ATOM 0 HA SER A 107 1.214 12.365 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.533 10.716 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.150 11.171 1.337 1.00 0.00 H new ATOM 0 HG SER A 107 -0.646 9.319 -0.088 1.00 0.00 H new ATOM 1730 N PHE A 108 0.534 9.724 -2.345 1.00 0.00 N ATOM 1731 CA PHE A 108 1.061 8.847 -3.385 1.00 0.00 C ATOM 1732 C PHE A 108 1.334 9.628 -4.667 1.00 0.00 C ATOM 1733 O PHE A 108 2.360 9.432 -5.320 1.00 0.00 O ATOM 1734 CB PHE A 108 0.079 7.708 -3.667 1.00 0.00 C ATOM 1735 CG PHE A 108 0.313 6.491 -2.819 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.555 5.878 -2.791 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.709 5.960 -2.049 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.773 4.758 -2.012 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.497 4.840 -1.267 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.746 4.238 -1.248 1.00 0.00 C ATOM 0 H PHE A 108 -0.459 9.597 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 108 2.002 8.426 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.937 8.066 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.152 7.428 -4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.362 6.280 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.683 6.427 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.746 4.289 -2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.302 4.436 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.915 3.363 -0.638 1.00 0.00 H new ATOM 1750 N LEU A 109 0.409 10.513 -5.022 1.00 0.00 N ATOM 1751 CA LEU A 109 0.549 11.324 -6.227 1.00 0.00 C ATOM 1752 C LEU A 109 1.850 12.120 -6.200 1.00 0.00 C ATOM 1753 O LEU A 109 2.660 12.035 -7.123 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.641 12.274 -6.366 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.871 11.710 -7.078 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -1.505 11.222 -8.471 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.490 10.585 -6.262 1.00 0.00 C ATOM 0 H LEU A 109 -0.446 10.687 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 109 0.573 10.654 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.940 12.598 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.310 13.162 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.607 12.508 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.393 10.824 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.109 12.053 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.751 10.439 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.364 10.195 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.760 9.786 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.790 10.966 -5.286 1.00 0.00 H new ATOM 1769 N ARG A 110 2.044 12.891 -5.135 1.00 0.00 N ATOM 1770 CA ARG A 110 3.247 13.701 -4.987 1.00 0.00 C ATOM 1771 C ARG A 110 4.491 12.899 -5.356 1.00 0.00 C ATOM 1772 O ARG A 110 5.390 13.403 -6.028 1.00 0.00 O ATOM 1773 CB ARG A 110 3.366 14.217 -3.552 1.00 0.00 C ATOM 1774 CG ARG A 110 2.446 15.388 -3.248 1.00 0.00 C ATOM 1775 CD ARG A 110 2.989 16.242 -2.112 1.00 0.00 C ATOM 1776 NE ARG A 110 2.069 17.317 -1.748 1.00 0.00 N ATOM 1777 CZ ARG A 110 2.017 18.484 -2.380 1.00 0.00 C ATOM 1778 NH1 ARG A 110 2.827 18.726 -3.402 1.00 0.00 N ATOM 1779 NH2 ARG A 110 1.153 19.413 -1.990 1.00 0.00 N ATOM 0 H ARG A 110 1.383 12.972 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 110 3.169 14.550 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.144 13.403 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.397 14.518 -3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.328 16.001 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.456 15.016 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.174 15.613 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.948 16.669 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 110 1.432 17.163 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.492 18.015 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 110 2.784 19.623 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.528 19.231 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.114 20.309 -2.476 1.00 0.00 H new ATOM 1793 N ALA A 111 4.536 11.647 -4.910 1.00 0.00 N ATOM 1794 CA ALA A 111 5.669 10.775 -5.194 1.00 0.00 C ATOM 1795 C ALA A 111 5.716 10.400 -6.672 1.00 0.00 C ATOM 1796 O ALA A 111 6.783 10.124 -7.218 1.00 0.00 O ATOM 1797 CB ALA A 111 5.600 9.523 -4.332 1.00 0.00 C ATOM 0 H ALA A 111 3.801 11.215 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 111 6.583 11.318 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.452 8.881 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.623 9.804 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.676 8.986 -4.544 1.00 0.00 H new ATOM 1803 N GLY A 112 4.551 10.392 -7.313 1.00 0.00 N ATOM 1804 CA GLY A 112 4.483 10.049 -8.722 1.00 0.00 C ATOM 1805 C GLY A 112 3.910 8.665 -8.953 1.00 0.00 C ATOM 1806 O GLY A 112 4.396 7.919 -9.804 1.00 0.00 O ATOM 0 H GLY A 112 3.654 10.617 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.870 10.785 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.482 10.103 -9.155 1.00 0.00 H new ATOM 1810 N VAL A 113 2.876 8.318 -8.194 1.00 0.00 N ATOM 1811 CA VAL A 113 2.237 7.014 -8.320 1.00 0.00 C ATOM 1812 C VAL A 113 0.890 7.128 -9.024 1.00 0.00 C ATOM 1813 O VAL A 113 0.044 7.936 -8.640 1.00 0.00 O ATOM 1814 CB VAL A 113 2.031 6.354 -6.944 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.246 5.059 -7.084 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.371 6.104 -6.267 1.00 0.00 C ATOM 0 H VAL A 113 2.462 8.923 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 113 2.904 6.391 -8.916 1.00 0.00 H new ATOM 0 HB VAL A 113 1.454 7.034 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.111 4.607 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.271 5.270 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.793 4.370 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.207 5.637 -5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.975 5.444 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.892 7.052 -6.130 1.00 0.00 H new