USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 THR OG1 : rot -27:sc= 0.498 USER MOD Single : A 10 SER OG : rot -63:sc= 0.095 USER MOD Single : A 12 THR OG1 : rot -101:sc= -1.05 USER MOD Single : A 15 HIS : no HE2:sc= -5.6! K(o=-5.6!,f=-1.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.28) USER MOD Single : A 25 ASN : amide:sc= -0.419 K(o=-0.42,f=-2.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 88:sc= 0.0335 USER MOD Single : A 39 CYS SG : rot -45:sc= 0.0277 USER MOD Single : A 41 SER OG : rot 180:sc= -2.19! USER MOD Single : A 45 THR OG1 : rot 45:sc= -3.19 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00283 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Single : A 76 HIS : no HD1:sc= -4.18! K(o=-4.2!,f=-0.67) USER MOD Single : A 79 GLN : amide:sc= -7.01! C(o=-7!,f=-6.4!) USER MOD Single : A 80 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.7!) USER MOD Single : A 82 TYR OH : rot 92:sc= -0.497 USER MOD Single : A 84 THR OG1 : rot 107:sc= 1.2 USER MOD Single : A 87 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.84) USER MOD Single : A 91 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.25) USER MOD Single : A 92 ASN : amide:sc= 1.22 K(o=1.2,f=-0.12) USER MOD Single : A 93 SER OG : rot 18:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.533 -0.226 -10.648 1.00 0.00 N ATOM 67 CA THR A 7 -6.172 -0.165 -10.145 1.00 0.00 C ATOM 68 C THR A 7 -6.161 -0.288 -8.620 1.00 0.00 C ATOM 69 O THR A 7 -7.190 -0.101 -7.971 1.00 0.00 O ATOM 70 CB THR A 7 -5.537 1.130 -10.654 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.575 2.099 -10.529 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.245 1.088 -12.156 1.00 0.00 C ATOM 0 HA THR A 7 -5.577 -1.002 -10.512 1.00 0.00 H new ATOM 0 HB THR A 7 -4.612 1.319 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.446 1.654 -10.581 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.795 2.031 -12.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.557 0.270 -12.370 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.175 0.933 -12.703 1.00 0.00 H new ATOM 80 N PRO A 8 -4.956 -0.609 -8.077 1.00 0.00 N ATOM 81 CA PRO A 8 -4.798 -0.759 -6.641 1.00 0.00 C ATOM 82 C PRO A 8 -4.787 0.603 -5.945 1.00 0.00 C ATOM 83 O PRO A 8 -5.512 0.815 -4.975 1.00 0.00 O ATOM 84 CB PRO A 8 -3.498 -1.527 -6.466 1.00 0.00 C ATOM 85 CG PRO A 8 -2.744 -1.372 -7.777 1.00 0.00 C ATOM 86 CD PRO A 8 -3.717 -0.838 -8.814 1.00 0.00 C ATOM 0 HA PRO A 8 -5.627 -1.296 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.919 -1.130 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.691 -2.577 -6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.903 -0.689 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.333 -2.330 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.349 0.083 -9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.864 -1.553 -9.624 1.00 0.00 H new ATOM 94 N LEU A 9 -3.955 1.492 -6.469 1.00 0.00 N ATOM 95 CA LEU A 9 -3.840 2.828 -5.910 1.00 0.00 C ATOM 96 C LEU A 9 -5.227 3.469 -5.840 1.00 0.00 C ATOM 97 O LEU A 9 -5.569 4.111 -4.848 1.00 0.00 O ATOM 98 CB LEU A 9 -2.821 3.653 -6.699 1.00 0.00 C ATOM 99 CG LEU A 9 -2.780 5.149 -6.384 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.664 5.389 -4.877 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.660 5.844 -7.162 1.00 0.00 C ATOM 0 H LEU A 9 -3.355 1.313 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.458 2.782 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.830 3.237 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.030 3.532 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.721 5.592 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.637 6.461 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.523 4.949 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.749 4.928 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.654 6.907 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.701 5.404 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.827 5.717 -8.232 1.00 0.00 H new ATOM 113 N SER A 10 -5.989 3.272 -6.906 1.00 0.00 N ATOM 114 CA SER A 10 -7.332 3.823 -6.978 1.00 0.00 C ATOM 115 C SER A 10 -8.255 3.079 -6.010 1.00 0.00 C ATOM 116 O SER A 10 -9.017 3.702 -5.272 1.00 0.00 O ATOM 117 CB SER A 10 -7.883 3.745 -8.403 1.00 0.00 C ATOM 118 OG SER A 10 -9.004 4.605 -8.590 1.00 0.00 O ATOM 0 H SER A 10 -5.702 2.739 -7.727 1.00 0.00 H new ATOM 0 HA SER A 10 -7.287 4.874 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.098 4.013 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.173 2.718 -8.624 1.00 0.00 H new ATOM 0 HG SER A 10 -9.737 4.319 -8.005 1.00 0.00 H new ATOM 124 N LEU A 11 -8.156 1.759 -6.046 1.00 0.00 N ATOM 125 CA LEU A 11 -8.973 0.924 -5.181 1.00 0.00 C ATOM 126 C LEU A 11 -8.724 1.311 -3.722 1.00 0.00 C ATOM 127 O LEU A 11 -9.661 1.397 -2.930 1.00 0.00 O ATOM 128 CB LEU A 11 -8.724 -0.557 -5.475 1.00 0.00 C ATOM 129 CG LEU A 11 -9.410 -1.117 -6.723 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.696 -2.374 -7.224 1.00 0.00 C ATOM 131 CD2 LEU A 11 -10.897 -1.367 -6.466 1.00 0.00 C ATOM 0 H LEU A 11 -7.523 1.247 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.032 1.091 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.650 -0.712 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.051 -1.138 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.341 -0.370 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.204 -2.752 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.663 -2.131 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.712 -3.136 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.360 -1.765 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.010 -2.085 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.382 -0.430 -6.192 1.00 0.00 H new ATOM 143 N THR A 12 -7.455 1.535 -3.411 1.00 0.00 N ATOM 144 CA THR A 12 -7.071 1.911 -2.061 1.00 0.00 C ATOM 145 C THR A 12 -7.630 3.292 -1.713 1.00 0.00 C ATOM 146 O THR A 12 -8.317 3.451 -0.705 1.00 0.00 O ATOM 147 CB THR A 12 -5.546 1.831 -1.964 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.091 2.359 -3.207 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.035 0.389 -1.962 1.00 0.00 C ATOM 0 H THR A 12 -6.680 1.463 -4.071 1.00 0.00 H new ATOM 0 HA THR A 12 -7.495 1.228 -1.324 1.00 0.00 H new ATOM 0 HB THR A 12 -5.213 2.336 -1.057 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.833 1.623 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.947 0.389 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.454 -0.144 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.339 -0.106 -2.884 1.00 0.00 H new ATOM 157 N LEU A 13 -7.315 4.255 -2.566 1.00 0.00 N ATOM 158 CA LEU A 13 -7.778 5.617 -2.361 1.00 0.00 C ATOM 159 C LEU A 13 -9.307 5.628 -2.299 1.00 0.00 C ATOM 160 O LEU A 13 -9.893 6.302 -1.453 1.00 0.00 O ATOM 161 CB LEU A 13 -7.199 6.547 -3.429 1.00 0.00 C ATOM 162 CG LEU A 13 -5.689 6.788 -3.362 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.175 7.408 -4.663 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.323 7.632 -2.140 1.00 0.00 C ATOM 0 H LEU A 13 -6.745 4.119 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.417 6.002 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.438 6.135 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.704 7.510 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.193 5.824 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.099 7.569 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.385 6.735 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.674 8.362 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.245 7.789 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.829 8.596 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.635 7.114 -1.233 1.00 0.00 H new ATOM 176 N ASP A 14 -9.909 4.875 -3.207 1.00 0.00 N ATOM 177 CA ASP A 14 -11.358 4.789 -3.267 1.00 0.00 C ATOM 178 C ASP A 14 -11.895 4.336 -1.908 1.00 0.00 C ATOM 179 O ASP A 14 -13.071 4.529 -1.605 1.00 0.00 O ATOM 180 CB ASP A 14 -11.807 3.770 -4.316 1.00 0.00 C ATOM 181 CG ASP A 14 -11.872 4.303 -5.749 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.447 5.399 -5.921 1.00 0.00 O ATOM 183 OD2 ASP A 14 -11.344 3.602 -6.639 1.00 0.00 O ATOM 0 H ASP A 14 -9.419 4.318 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.743 5.774 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.124 2.920 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.792 3.396 -4.039 1.00 0.00 H new ATOM 188 N HIS A 15 -11.006 3.742 -1.125 1.00 0.00 N ATOM 189 CA HIS A 15 -11.375 3.259 0.195 1.00 0.00 C ATOM 190 C HIS A 15 -10.421 3.841 1.240 1.00 0.00 C ATOM 191 O HIS A 15 -10.047 3.160 2.193 1.00 0.00 O ATOM 192 CB HIS A 15 -11.421 1.730 0.221 1.00 0.00 C ATOM 193 CG HIS A 15 -12.725 1.147 -0.269 1.00 0.00 C ATOM 194 ND1 HIS A 15 -13.955 1.527 0.239 1.00 0.00 N ATOM 195 CD2 HIS A 15 -12.977 0.209 -1.227 1.00 0.00 C ATOM 196 CE1 HIS A 15 -14.898 0.841 -0.391 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.290 0.025 -1.299 1.00 0.00 N ATOM 0 H HIS A 15 -10.031 3.584 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.381 3.599 0.442 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.608 1.342 -0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.242 1.389 1.241 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.110 2.218 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.234 -0.298 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -15.961 0.915 -0.216 1.00 0.00 H new ATOM 205 N TRP A 16 -10.054 5.096 1.025 1.00 0.00 N ATOM 206 CA TRP A 16 -9.150 5.778 1.936 1.00 0.00 C ATOM 207 C TRP A 16 -9.657 5.552 3.362 1.00 0.00 C ATOM 208 O TRP A 16 -8.865 5.374 4.285 1.00 0.00 O ATOM 209 CB TRP A 16 -9.022 7.259 1.575 1.00 0.00 C ATOM 210 CG TRP A 16 -8.035 8.031 2.453 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.259 9.143 3.165 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.649 7.699 2.685 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.125 9.552 3.836 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.115 8.646 3.535 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.874 6.635 2.192 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.783 8.623 3.967 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.545 6.627 2.633 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.991 7.572 3.489 1.00 0.00 C ATOM 0 H TRP A 16 -10.366 5.658 0.233 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.142 5.371 1.856 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.709 7.343 0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.003 7.727 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.209 9.656 3.208 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.043 10.369 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.272 5.884 1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.388 9.376 4.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.905 5.830 2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.955 7.496 3.784 1.00 0.00 H new ATOM 229 N SER A 17 -10.975 5.567 3.496 1.00 0.00 N ATOM 230 CA SER A 17 -11.597 5.366 4.794 1.00 0.00 C ATOM 231 C SER A 17 -11.080 4.073 5.428 1.00 0.00 C ATOM 232 O SER A 17 -10.800 4.033 6.625 1.00 0.00 O ATOM 233 CB SER A 17 -13.122 5.324 4.673 1.00 0.00 C ATOM 234 OG SER A 17 -13.627 6.417 3.912 1.00 0.00 O ATOM 0 H SER A 17 -11.629 5.715 2.728 1.00 0.00 H new ATOM 0 HA SER A 17 -11.333 6.208 5.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.423 4.387 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.565 5.340 5.669 1.00 0.00 H new ATOM 0 HG SER A 17 -14.603 6.353 3.856 1.00 0.00 H new ATOM 240 N GLU A 18 -10.968 3.047 4.597 1.00 0.00 N ATOM 241 CA GLU A 18 -10.489 1.757 5.061 1.00 0.00 C ATOM 242 C GLU A 18 -8.999 1.835 5.403 1.00 0.00 C ATOM 243 O GLU A 18 -8.572 1.343 6.446 1.00 0.00 O ATOM 244 CB GLU A 18 -10.756 0.666 4.021 1.00 0.00 C ATOM 245 CG GLU A 18 -9.987 -0.613 4.359 1.00 0.00 C ATOM 246 CD GLU A 18 -10.389 -1.147 5.735 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.599 -1.078 6.039 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.477 -1.613 6.451 1.00 0.00 O ATOM 0 H GLU A 18 -11.201 3.084 3.605 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.036 1.493 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.824 0.452 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.463 1.021 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.182 -1.370 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.916 -0.413 4.341 1.00 0.00 H new ATOM 255 N ILE A 19 -8.251 2.457 4.504 1.00 0.00 N ATOM 256 CA ILE A 19 -6.818 2.606 4.697 1.00 0.00 C ATOM 257 C ILE A 19 -6.562 3.428 5.962 1.00 0.00 C ATOM 258 O ILE A 19 -5.582 3.197 6.669 1.00 0.00 O ATOM 259 CB ILE A 19 -6.166 3.189 3.442 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.763 2.571 2.176 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.644 3.034 3.492 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.873 1.050 2.308 1.00 0.00 C ATOM 0 H ILE A 19 -8.610 2.864 3.640 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.350 1.633 4.848 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.380 4.257 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.749 2.996 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.141 2.821 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.205 3.457 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.253 3.558 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.388 1.977 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.300 0.635 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.882 0.626 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.515 0.804 3.153 1.00 0.00 H new ATOM 274 N ARG A 20 -7.459 4.371 6.209 1.00 0.00 N ATOM 275 CA ARG A 20 -7.342 5.229 7.376 1.00 0.00 C ATOM 276 C ARG A 20 -7.640 4.435 8.650 1.00 0.00 C ATOM 277 O ARG A 20 -7.073 4.714 9.705 1.00 0.00 O ATOM 278 CB ARG A 20 -8.304 6.415 7.286 1.00 0.00 C ATOM 279 CG ARG A 20 -7.799 7.455 6.283 1.00 0.00 C ATOM 280 CD ARG A 20 -8.285 8.857 6.657 1.00 0.00 C ATOM 281 NE ARG A 20 -9.731 8.985 6.370 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.507 9.967 6.847 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.981 10.913 7.637 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.810 10.004 6.535 1.00 0.00 N ATOM 0 H ARG A 20 -8.270 4.560 5.621 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.320 5.606 7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.292 6.065 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.413 6.875 8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.709 7.439 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.148 7.200 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.098 9.046 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.727 9.606 6.096 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.164 8.281 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.990 10.885 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.572 11.661 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.211 9.284 5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.400 10.752 6.899 1.00 0.00 H new ATOM 298 N SER A 21 -8.528 3.462 8.509 1.00 0.00 N ATOM 299 CA SER A 21 -8.907 2.626 9.635 1.00 0.00 C ATOM 300 C SER A 21 -7.752 1.696 10.009 1.00 0.00 C ATOM 301 O SER A 21 -7.443 1.528 11.188 1.00 0.00 O ATOM 302 CB SER A 21 -10.163 1.812 9.318 1.00 0.00 C ATOM 303 OG SER A 21 -11.197 2.031 10.274 1.00 0.00 O ATOM 0 H SER A 21 -8.996 3.234 7.632 1.00 0.00 H new ATOM 0 HA SER A 21 -9.131 3.274 10.482 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.526 2.077 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.911 0.752 9.293 1.00 0.00 H new ATOM 0 HG SER A 21 -11.982 1.495 10.035 1.00 0.00 H new ATOM 309 N ARG A 22 -7.145 1.116 8.984 1.00 0.00 N ATOM 310 CA ARG A 22 -6.030 0.208 9.191 1.00 0.00 C ATOM 311 C ARG A 22 -4.914 0.905 9.971 1.00 0.00 C ATOM 312 O ARG A 22 -4.218 0.273 10.764 1.00 0.00 O ATOM 313 CB ARG A 22 -5.473 -0.294 7.856 1.00 0.00 C ATOM 314 CG ARG A 22 -6.592 -0.839 6.966 1.00 0.00 C ATOM 315 CD ARG A 22 -6.396 -2.332 6.694 1.00 0.00 C ATOM 316 NE ARG A 22 -7.280 -2.765 5.588 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.603 -4.041 5.340 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.118 -5.019 6.118 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.411 -4.341 4.315 1.00 0.00 N ATOM 0 H ARG A 22 -7.404 1.257 8.008 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.399 -0.644 9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.959 0.519 7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.734 -1.075 8.037 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.556 -0.677 7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.610 -0.293 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.355 -2.530 6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.617 -2.906 7.594 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.667 -2.046 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.503 -4.792 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.364 -5.991 5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.781 -3.598 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.657 -5.313 4.127 1.00 0.00 H new ATOM 333 N ALA A 23 -4.779 2.199 9.719 1.00 0.00 N ATOM 334 CA ALA A 23 -3.760 2.989 10.389 1.00 0.00 C ATOM 335 C ALA A 23 -4.064 3.042 11.887 1.00 0.00 C ATOM 336 O ALA A 23 -3.159 2.928 12.712 1.00 0.00 O ATOM 337 CB ALA A 23 -3.696 4.381 9.757 1.00 0.00 C ATOM 0 H ALA A 23 -5.358 2.720 9.060 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.778 2.531 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.932 4.974 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.447 4.289 8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.663 4.873 9.861 1.00 0.00 H new ATOM 343 N HIS A 24 -5.341 3.215 12.193 1.00 0.00 N ATOM 344 CA HIS A 24 -5.776 3.285 13.578 1.00 0.00 C ATOM 345 C HIS A 24 -5.456 1.965 14.283 1.00 0.00 C ATOM 346 O HIS A 24 -4.979 1.963 15.417 1.00 0.00 O ATOM 347 CB HIS A 24 -7.257 3.659 13.664 1.00 0.00 C ATOM 348 CG HIS A 24 -7.560 4.737 14.678 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.846 5.034 15.093 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.731 5.582 15.354 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.782 6.017 15.979 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.471 6.356 16.139 1.00 0.00 N ATOM 0 H HIS A 24 -6.089 3.309 11.506 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.231 4.075 14.095 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.595 3.992 12.683 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.833 2.768 13.913 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.655 5.616 15.266 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.621 6.470 16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.117 7.084 16.759 1.00 0.00 H new ATOM 360 N ASN A 25 -5.731 0.875 13.583 1.00 0.00 N ATOM 361 CA ASN A 25 -5.479 -0.448 14.128 1.00 0.00 C ATOM 362 C ASN A 25 -3.969 -0.687 14.196 1.00 0.00 C ATOM 363 O ASN A 25 -3.480 -1.332 15.123 1.00 0.00 O ATOM 364 CB ASN A 25 -6.089 -1.535 13.241 1.00 0.00 C ATOM 365 CG ASN A 25 -7.129 -2.351 14.011 1.00 0.00 C ATOM 366 OD1 ASN A 25 -7.210 -2.312 15.228 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.918 -3.091 13.237 1.00 0.00 N ATOM 0 H ASN A 25 -6.126 0.881 12.643 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.930 -0.496 15.119 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.554 -1.078 12.367 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.302 -2.195 12.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.644 -3.672 13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.797 -3.078 12.224 1.00 0.00 H new ATOM 374 N LEU A 26 -3.272 -0.155 13.203 1.00 0.00 N ATOM 375 CA LEU A 26 -1.828 -0.302 13.139 1.00 0.00 C ATOM 376 C LEU A 26 -1.174 0.723 14.068 1.00 0.00 C ATOM 377 O LEU A 26 0.033 0.672 14.302 1.00 0.00 O ATOM 378 CB LEU A 26 -1.344 -0.216 11.690 1.00 0.00 C ATOM 379 CG LEU A 26 -1.783 -1.355 10.768 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.458 -1.035 9.308 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.174 -2.687 11.212 1.00 0.00 C ATOM 0 H LEU A 26 -3.681 0.379 12.436 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.529 -1.289 13.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.695 0.724 11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.255 -0.177 11.693 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.866 -1.456 10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.780 -1.861 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.978 -0.125 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.383 -0.891 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.502 -3.479 10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.087 -2.617 11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.499 -2.915 12.227 1.00 0.00 H new ATOM 393 N SER A 27 -1.998 1.629 14.571 1.00 0.00 N ATOM 394 CA SER A 27 -1.515 2.664 15.469 1.00 0.00 C ATOM 395 C SER A 27 -0.565 3.603 14.722 1.00 0.00 C ATOM 396 O SER A 27 0.476 3.988 15.252 1.00 0.00 O ATOM 397 CB SER A 27 -0.813 2.056 16.684 1.00 0.00 C ATOM 398 OG SER A 27 -1.648 1.131 17.375 1.00 0.00 O ATOM 0 H SER A 27 -2.998 1.668 14.374 1.00 0.00 H new ATOM 0 HA SER A 27 -2.373 3.234 15.827 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.098 1.552 16.362 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.512 2.852 17.365 1.00 0.00 H new ATOM 0 HG SER A 27 -1.163 0.763 18.143 1.00 0.00 H new ATOM 404 N VAL A 28 -0.957 3.943 13.503 1.00 0.00 N ATOM 405 CA VAL A 28 -0.153 4.828 12.678 1.00 0.00 C ATOM 406 C VAL A 28 -1.073 5.782 11.914 1.00 0.00 C ATOM 407 O VAL A 28 -2.223 5.447 11.631 1.00 0.00 O ATOM 408 CB VAL A 28 0.754 4.008 11.759 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.933 3.418 12.536 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.037 2.909 11.047 1.00 0.00 C ATOM 0 H VAL A 28 -1.821 3.621 13.067 1.00 0.00 H new ATOM 0 HA VAL A 28 0.503 5.437 13.300 1.00 0.00 H new ATOM 0 HB VAL A 28 1.155 4.679 10.999 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.562 2.840 11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.519 4.225 12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.559 2.768 13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.631 2.341 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.480 2.242 11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.827 3.360 10.446 1.00 0.00 H new ATOM 420 N GLU A 29 -0.534 6.950 11.600 1.00 0.00 N ATOM 421 CA GLU A 29 -1.292 7.955 10.874 1.00 0.00 C ATOM 422 C GLU A 29 -0.709 8.150 9.473 1.00 0.00 C ATOM 423 O GLU A 29 0.508 8.139 9.297 1.00 0.00 O ATOM 424 CB GLU A 29 -1.328 9.277 11.643 1.00 0.00 C ATOM 425 CG GLU A 29 -2.195 10.309 10.918 1.00 0.00 C ATOM 426 CD GLU A 29 -3.636 10.271 11.431 1.00 0.00 C ATOM 427 OE1 GLU A 29 -4.082 9.160 11.791 1.00 0.00 O ATOM 428 OE2 GLU A 29 -4.260 11.354 11.450 1.00 0.00 O ATOM 0 H GLU A 29 0.420 7.224 11.835 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.319 7.604 10.773 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.720 9.108 12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.315 9.663 11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.779 11.306 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.181 10.112 9.846 1.00 0.00 H new ATOM 435 N ILE A 30 -1.605 8.325 8.513 1.00 0.00 N ATOM 436 CA ILE A 30 -1.194 8.523 7.134 1.00 0.00 C ATOM 437 C ILE A 30 -2.103 9.566 6.480 1.00 0.00 C ATOM 438 O ILE A 30 -3.184 9.859 6.989 1.00 0.00 O ATOM 439 CB ILE A 30 -1.156 7.187 6.389 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.550 6.562 6.312 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.135 6.237 7.019 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.496 5.180 5.659 1.00 0.00 C ATOM 0 H ILE A 30 -2.614 8.334 8.663 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.177 8.914 7.092 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.831 7.376 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.971 6.478 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.213 7.212 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.128 5.295 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.856 6.689 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.405 6.050 8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.500 4.758 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.098 5.270 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.852 4.525 6.246 1.00 0.00 H new ATOM 454 N LYS A 31 -1.631 10.098 5.362 1.00 0.00 N ATOM 455 CA LYS A 31 -2.388 11.102 4.633 1.00 0.00 C ATOM 456 C LYS A 31 -2.791 10.540 3.268 1.00 0.00 C ATOM 457 O LYS A 31 -2.268 9.513 2.837 1.00 0.00 O ATOM 458 CB LYS A 31 -1.601 12.411 4.551 1.00 0.00 C ATOM 459 CG LYS A 31 -1.963 13.342 5.710 1.00 0.00 C ATOM 460 CD LYS A 31 -3.423 13.791 5.617 1.00 0.00 C ATOM 461 CE LYS A 31 -3.562 15.279 5.944 1.00 0.00 C ATOM 462 NZ LYS A 31 -4.068 16.023 4.769 1.00 0.00 N ATOM 0 H LYS A 31 -0.734 9.853 4.943 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.309 11.343 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.532 12.199 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.810 12.906 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.796 12.831 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.309 14.214 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.803 13.599 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.032 13.205 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.242 15.410 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.596 15.682 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.156 17.031 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.404 15.912 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.999 15.649 4.496 1.00 0.00 H new ATOM 476 N LYS A 32 -3.716 11.237 2.626 1.00 0.00 N ATOM 477 CA LYS A 32 -4.195 10.821 1.319 1.00 0.00 C ATOM 478 C LYS A 32 -3.362 11.505 0.234 1.00 0.00 C ATOM 479 O LYS A 32 -3.419 11.120 -0.933 1.00 0.00 O ATOM 480 CB LYS A 32 -5.698 11.076 1.193 1.00 0.00 C ATOM 481 CG LYS A 32 -6.232 10.556 -0.144 1.00 0.00 C ATOM 482 CD LYS A 32 -7.617 9.928 0.026 1.00 0.00 C ATOM 483 CE LYS A 32 -8.594 10.465 -1.022 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.956 10.574 -0.453 1.00 0.00 N ATOM 0 H LYS A 32 -4.147 12.088 2.987 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.066 9.746 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.223 10.587 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.898 12.144 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.286 11.375 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.542 9.818 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.542 8.844 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.997 10.141 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.260 11.442 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.607 9.804 -1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.607 10.940 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.278 9.636 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.942 11.223 0.359 1.00 0.00 H new ATOM 498 N GLY A 33 -2.606 12.508 0.657 1.00 0.00 N ATOM 499 CA GLY A 33 -1.762 13.249 -0.264 1.00 0.00 C ATOM 500 C GLY A 33 -0.460 12.495 -0.543 1.00 0.00 C ATOM 501 O GLY A 33 -0.083 12.306 -1.698 1.00 0.00 O ATOM 0 H GLY A 33 -2.561 12.824 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.297 13.416 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.536 14.230 0.154 1.00 0.00 H new ATOM 505 N PRO A 34 0.209 12.074 0.564 1.00 0.00 N ATOM 506 CA PRO A 34 1.460 11.345 0.450 1.00 0.00 C ATOM 507 C PRO A 34 1.216 9.901 0.006 1.00 0.00 C ATOM 508 O PRO A 34 1.985 9.351 -0.780 1.00 0.00 O ATOM 509 CB PRO A 34 2.099 11.443 1.826 1.00 0.00 C ATOM 510 CG PRO A 34 0.978 11.820 2.780 1.00 0.00 C ATOM 511 CD PRO A 34 -0.208 12.280 1.948 1.00 0.00 C ATOM 0 HA PRO A 34 2.120 11.760 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.554 10.495 2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.890 12.193 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.701 10.967 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.301 12.613 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.103 11.704 2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.444 13.327 2.139 1.00 0.00 H new ATOM 519 N TRP A 35 0.142 9.329 0.530 1.00 0.00 N ATOM 520 CA TRP A 35 -0.214 7.960 0.198 1.00 0.00 C ATOM 521 C TRP A 35 -0.188 7.821 -1.326 1.00 0.00 C ATOM 522 O TRP A 35 0.247 6.798 -1.852 1.00 0.00 O ATOM 523 CB TRP A 35 -1.564 7.580 0.810 1.00 0.00 C ATOM 524 CG TRP A 35 -2.103 6.228 0.337 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.739 5.948 -0.808 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.027 4.976 1.050 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.077 4.613 -0.886 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.630 4.002 0.280 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.467 4.675 2.304 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.731 2.664 0.677 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.576 3.333 2.687 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.180 2.341 1.923 1.00 0.00 C ATOM 0 H TRP A 35 -0.493 9.789 1.182 1.00 0.00 H new ATOM 0 HA TRP A 35 0.505 7.261 0.624 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.467 7.561 1.896 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.292 8.355 0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.960 6.676 -1.574 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.565 4.158 -1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.990 5.421 2.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.208 1.921 0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.162 3.048 3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.224 1.326 2.289 1.00 0.00 H new ATOM 543 N ARG A 36 -0.660 8.865 -1.991 1.00 0.00 N ATOM 544 CA ARG A 36 -0.696 8.873 -3.444 1.00 0.00 C ATOM 545 C ARG A 36 0.703 9.131 -4.008 1.00 0.00 C ATOM 546 O ARG A 36 1.164 8.407 -4.889 1.00 0.00 O ATOM 547 CB ARG A 36 -1.655 9.945 -3.965 1.00 0.00 C ATOM 548 CG ARG A 36 -1.913 9.768 -5.463 1.00 0.00 C ATOM 549 CD ARG A 36 -3.315 10.251 -5.838 1.00 0.00 C ATOM 550 NE ARG A 36 -3.245 11.615 -6.407 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.308 12.413 -6.578 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.529 11.989 -6.226 1.00 0.00 N ATOM 553 NH2 ARG A 36 -4.149 13.637 -7.102 1.00 0.00 N ATOM 0 H ARG A 36 -1.021 9.711 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.049 7.896 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.598 9.890 -3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.237 10.934 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.168 10.324 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.802 8.718 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.762 9.569 -6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.957 10.248 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.331 11.970 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.650 11.058 -5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.337 12.597 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.219 13.960 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.958 14.245 -7.232 1.00 0.00 H new ATOM 567 N THR A 37 1.338 10.166 -3.478 1.00 0.00 N ATOM 568 CA THR A 37 2.675 10.528 -3.918 1.00 0.00 C ATOM 569 C THR A 37 3.618 9.329 -3.803 1.00 0.00 C ATOM 570 O THR A 37 4.294 8.973 -4.767 1.00 0.00 O ATOM 571 CB THR A 37 3.129 11.739 -3.101 1.00 0.00 C ATOM 572 OG1 THR A 37 2.403 12.829 -3.663 1.00 0.00 O ATOM 573 CG2 THR A 37 4.595 12.099 -3.352 1.00 0.00 C ATOM 0 H THR A 37 0.952 10.765 -2.748 1.00 0.00 H new ATOM 0 HA THR A 37 2.683 10.807 -4.972 1.00 0.00 H new ATOM 0 HB THR A 37 2.982 11.537 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.534 12.907 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.866 12.965 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.229 11.255 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.736 12.334 -4.407 1.00 0.00 H new ATOM 581 N PHE A 38 3.632 8.740 -2.617 1.00 0.00 N ATOM 582 CA PHE A 38 4.481 7.588 -2.363 1.00 0.00 C ATOM 583 C PHE A 38 4.152 6.443 -3.323 1.00 0.00 C ATOM 584 O PHE A 38 5.021 5.639 -3.657 1.00 0.00 O ATOM 585 CB PHE A 38 4.202 7.133 -0.930 1.00 0.00 C ATOM 586 CG PHE A 38 4.818 8.036 0.141 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.062 8.554 -0.039 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.120 8.321 1.274 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.634 9.391 0.954 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.692 9.158 2.268 1.00 0.00 C ATOM 591 CZ PHE A 38 5.936 9.676 2.087 1.00 0.00 C ATOM 0 H PHE A 38 3.069 9.039 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 38 5.527 7.858 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.124 7.089 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.584 6.120 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.615 8.328 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.131 7.911 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.623 9.802 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.139 9.383 3.168 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.370 10.314 2.843 1.00 0.00 H new ATOM 601 N CYS A 39 2.895 6.405 -3.739 1.00 0.00 N ATOM 602 CA CYS A 39 2.441 5.372 -4.654 1.00 0.00 C ATOM 603 C CYS A 39 2.290 5.993 -6.044 1.00 0.00 C ATOM 604 O CYS A 39 1.644 5.416 -6.919 1.00 0.00 O ATOM 605 CB CYS A 39 1.140 4.724 -4.174 1.00 0.00 C ATOM 606 SG CYS A 39 0.726 3.292 -5.235 1.00 0.00 S ATOM 0 H CYS A 39 2.177 7.073 -3.459 1.00 0.00 H new ATOM 0 HA CYS A 39 3.177 4.569 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.245 4.401 -3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.330 5.453 -4.200 1.00 0.00 H new ATOM 0 HG CYS A 39 0.888 3.616 -6.484 1.00 0.00 H new ATOM 612 N ALA A 40 2.896 7.160 -6.205 1.00 0.00 N ATOM 613 CA ALA A 40 2.837 7.865 -7.474 1.00 0.00 C ATOM 614 C ALA A 40 4.135 7.625 -8.246 1.00 0.00 C ATOM 615 O ALA A 40 4.112 7.098 -9.358 1.00 0.00 O ATOM 616 CB ALA A 40 2.575 9.351 -7.220 1.00 0.00 C ATOM 0 H ALA A 40 3.430 7.635 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 40 2.016 7.489 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.531 9.881 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.627 9.469 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.380 9.764 -6.612 1.00 0.00 H new ATOM 622 N SER A 41 5.237 8.023 -7.628 1.00 0.00 N ATOM 623 CA SER A 41 6.542 7.858 -8.244 1.00 0.00 C ATOM 624 C SER A 41 7.618 7.728 -7.163 1.00 0.00 C ATOM 625 O SER A 41 8.729 8.231 -7.325 1.00 0.00 O ATOM 626 CB SER A 41 6.864 9.028 -9.175 1.00 0.00 C ATOM 627 OG SER A 41 8.165 8.915 -9.745 1.00 0.00 O ATOM 0 H SER A 41 5.253 8.460 -6.706 1.00 0.00 H new ATOM 0 HA SER A 41 6.525 6.947 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.122 9.072 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.791 9.963 -8.620 1.00 0.00 H new ATOM 0 HG SER A 41 8.332 9.680 -10.334 1.00 0.00 H new ATOM 633 N GLU A 42 7.251 7.050 -6.086 1.00 0.00 N ATOM 634 CA GLU A 42 8.170 6.848 -4.979 1.00 0.00 C ATOM 635 C GLU A 42 8.459 5.357 -4.795 1.00 0.00 C ATOM 636 O GLU A 42 9.616 4.952 -4.696 1.00 0.00 O ATOM 637 CB GLU A 42 7.621 7.464 -3.691 1.00 0.00 C ATOM 638 CG GLU A 42 8.753 7.795 -2.716 1.00 0.00 C ATOM 639 CD GLU A 42 9.324 9.187 -2.992 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.544 10.155 -2.866 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.528 9.252 -3.321 1.00 0.00 O ATOM 0 H GLU A 42 6.329 6.633 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 42 9.107 7.353 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.062 8.370 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.922 6.772 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.382 7.747 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.543 7.050 -2.804 1.00 0.00 H new ATOM 648 N TRP A 43 7.386 4.580 -4.754 1.00 0.00 N ATOM 649 CA TRP A 43 7.510 3.142 -4.584 1.00 0.00 C ATOM 650 C TRP A 43 7.930 2.541 -5.926 1.00 0.00 C ATOM 651 O TRP A 43 8.804 1.677 -5.977 1.00 0.00 O ATOM 652 CB TRP A 43 6.212 2.541 -4.039 1.00 0.00 C ATOM 653 CG TRP A 43 5.989 2.791 -2.546 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.901 3.106 -1.617 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.729 2.735 -1.844 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.324 3.256 -0.372 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.961 3.023 -0.515 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.436 2.449 -2.317 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.949 3.054 0.451 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.435 2.484 -1.339 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.652 2.772 0.003 1.00 0.00 C ATOM 0 H TRP A 43 6.427 4.919 -4.836 1.00 0.00 H new ATOM 0 HA TRP A 43 8.274 2.906 -3.843 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.371 2.954 -4.596 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.217 1.466 -4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.955 3.227 -1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.808 3.494 0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.231 2.220 -3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.157 3.283 1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.422 2.272 -1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.825 2.778 0.697 1.00 0.00 H new ATOM 672 N PRO A 44 7.270 3.033 -7.008 1.00 0.00 N ATOM 673 CA PRO A 44 7.566 2.554 -8.348 1.00 0.00 C ATOM 674 C PRO A 44 8.892 3.125 -8.854 1.00 0.00 C ATOM 675 O PRO A 44 9.282 2.881 -9.994 1.00 0.00 O ATOM 676 CB PRO A 44 6.375 2.982 -9.191 1.00 0.00 C ATOM 677 CG PRO A 44 5.680 4.081 -8.403 1.00 0.00 C ATOM 678 CD PRO A 44 6.228 4.056 -6.986 1.00 0.00 C ATOM 0 HA PRO A 44 7.698 1.473 -8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.698 3.345 -10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.702 2.144 -9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.858 5.052 -8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.601 3.924 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.633 5.027 -6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.448 3.811 -6.264 1.00 0.00 H new ATOM 686 N THR A 45 9.549 3.873 -7.980 1.00 0.00 N ATOM 687 CA THR A 45 10.824 4.481 -8.324 1.00 0.00 C ATOM 688 C THR A 45 11.955 3.840 -7.516 1.00 0.00 C ATOM 689 O THR A 45 13.069 4.360 -7.482 1.00 0.00 O ATOM 690 CB THR A 45 10.702 5.990 -8.107 1.00 0.00 C ATOM 691 OG1 THR A 45 9.991 6.108 -6.878 1.00 0.00 O ATOM 692 CG2 THR A 45 9.784 6.657 -9.134 1.00 0.00 C ATOM 0 H THR A 45 9.223 4.072 -7.034 1.00 0.00 H new ATOM 0 HA THR A 45 11.076 4.308 -9.370 1.00 0.00 H new ATOM 0 HB THR A 45 11.692 6.444 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.367 5.485 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.732 7.727 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.180 6.493 -10.136 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.785 6.226 -9.063 1.00 0.00 H new ATOM 700 N PHE A 46 11.629 2.721 -6.887 1.00 0.00 N ATOM 701 CA PHE A 46 12.603 2.004 -6.082 1.00 0.00 C ATOM 702 C PHE A 46 13.261 0.882 -6.888 1.00 0.00 C ATOM 703 O PHE A 46 14.167 0.210 -6.398 1.00 0.00 O ATOM 704 CB PHE A 46 11.846 1.392 -4.902 1.00 0.00 C ATOM 705 CG PHE A 46 11.517 2.389 -3.789 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.757 3.716 -3.972 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.985 1.950 -2.617 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.451 4.641 -2.939 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.680 2.875 -1.585 1.00 0.00 C ATOM 710 CZ PHE A 46 10.919 4.201 -1.767 1.00 0.00 C ATOM 0 H PHE A 46 10.704 2.293 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 46 13.387 2.686 -5.752 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.918 0.952 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.441 0.580 -4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.180 4.065 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.795 0.897 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.641 5.694 -3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.258 2.525 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.687 4.905 -0.981 1.00 0.00 H new ATOM 720 N ASP A 47 12.778 0.714 -8.110 1.00 0.00 N ATOM 721 CA ASP A 47 13.308 -0.316 -8.989 1.00 0.00 C ATOM 722 C ASP A 47 13.179 -1.679 -8.306 1.00 0.00 C ATOM 723 O ASP A 47 14.055 -2.078 -7.539 1.00 0.00 O ATOM 724 CB ASP A 47 14.788 -0.075 -9.289 1.00 0.00 C ATOM 725 CG ASP A 47 15.080 0.522 -10.667 1.00 0.00 C ATOM 726 OD1 ASP A 47 14.202 1.262 -11.162 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.174 0.225 -11.195 1.00 0.00 O ATOM 0 H ASP A 47 12.026 1.273 -8.513 1.00 0.00 H new ATOM 0 HA ASP A 47 12.742 -0.289 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.194 0.591 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.320 -1.022 -9.200 1.00 0.00 H new ATOM 732 N VAL A 48 12.081 -2.355 -8.608 1.00 0.00 N ATOM 733 CA VAL A 48 11.827 -3.665 -8.033 1.00 0.00 C ATOM 734 C VAL A 48 10.722 -4.362 -8.830 1.00 0.00 C ATOM 735 O VAL A 48 10.986 -5.317 -9.559 1.00 0.00 O ATOM 736 CB VAL A 48 11.495 -3.528 -6.546 1.00 0.00 C ATOM 737 CG1 VAL A 48 12.768 -3.384 -5.710 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.544 -2.354 -6.302 1.00 0.00 C ATOM 0 H VAL A 48 11.357 -2.020 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 48 12.718 -4.290 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 48 10.989 -4.441 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.503 -3.288 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.395 -4.265 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.314 -2.496 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.324 -2.279 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.012 -1.430 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.618 -2.516 -6.853 1.00 0.00 H new ATOM 748 N GLY A 49 9.509 -3.857 -8.665 1.00 0.00 N ATOM 749 CA GLY A 49 8.363 -4.419 -9.360 1.00 0.00 C ATOM 750 C GLY A 49 7.075 -3.690 -8.973 1.00 0.00 C ATOM 751 O GLY A 49 6.006 -4.297 -8.922 1.00 0.00 O ATOM 0 H GLY A 49 9.294 -3.064 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.516 -4.348 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.272 -5.478 -9.120 1.00 0.00 H new ATOM 755 N TRP A 50 7.219 -2.400 -8.709 1.00 0.00 N ATOM 756 CA TRP A 50 6.080 -1.582 -8.328 1.00 0.00 C ATOM 757 C TRP A 50 5.722 -0.687 -9.516 1.00 0.00 C ATOM 758 O TRP A 50 6.501 0.184 -9.898 1.00 0.00 O ATOM 759 CB TRP A 50 6.376 -0.792 -7.052 1.00 0.00 C ATOM 760 CG TRP A 50 5.148 -0.113 -6.442 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.568 1.035 -6.817 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.367 -0.591 -5.326 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.475 1.332 -6.028 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.349 0.311 -5.092 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.516 -1.747 -4.540 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.401 0.151 -4.074 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.561 -1.892 -3.526 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.530 -0.993 -3.278 1.00 0.00 C ATOM 0 H TRP A 50 8.107 -1.901 -8.751 1.00 0.00 H new ATOM 0 HA TRP A 50 5.218 -2.206 -8.091 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.811 -1.465 -6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.126 -0.033 -7.273 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.913 1.651 -7.634 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.871 2.149 -6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.305 -2.466 -4.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.613 0.871 -3.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.630 -2.764 -2.892 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.832 -1.177 -2.475 1.00 0.00 H new ATOM 779 N PRO A 51 4.511 -0.940 -10.081 1.00 0.00 N ATOM 780 CA PRO A 51 4.040 -0.168 -11.218 1.00 0.00 C ATOM 781 C PRO A 51 3.584 1.226 -10.783 1.00 0.00 C ATOM 782 O PRO A 51 3.496 1.510 -9.589 1.00 0.00 O ATOM 783 CB PRO A 51 2.919 -0.998 -11.821 1.00 0.00 C ATOM 784 CG PRO A 51 2.493 -1.974 -10.736 1.00 0.00 C ATOM 785 CD PRO A 51 3.562 -1.965 -9.655 1.00 0.00 C ATOM 0 HA PRO A 51 4.822 0.015 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.086 -0.365 -12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.260 -1.527 -12.711 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.528 -1.685 -10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.376 -2.976 -11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.137 -1.730 -8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.044 -2.939 -9.566 1.00 0.00 H new ATOM 793 N PRO A 52 3.299 2.082 -11.801 1.00 0.00 N ATOM 794 CA PRO A 52 2.854 3.439 -11.535 1.00 0.00 C ATOM 795 C PRO A 52 1.398 3.457 -11.066 1.00 0.00 C ATOM 796 O PRO A 52 0.839 4.521 -10.805 1.00 0.00 O ATOM 797 CB PRO A 52 3.066 4.185 -12.842 1.00 0.00 C ATOM 798 CG PRO A 52 3.183 3.118 -13.918 1.00 0.00 C ATOM 799 CD PRO A 52 3.392 1.780 -13.226 1.00 0.00 C ATOM 0 HA PRO A 52 3.410 3.913 -10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.233 4.857 -13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.967 4.798 -12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.282 3.094 -14.532 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.017 3.338 -14.585 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.635 1.056 -13.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.362 1.351 -13.478 1.00 0.00 H new ATOM 807 N GLU A 53 0.825 2.266 -10.974 1.00 0.00 N ATOM 808 CA GLU A 53 -0.556 2.132 -10.541 1.00 0.00 C ATOM 809 C GLU A 53 -0.625 1.364 -9.219 1.00 0.00 C ATOM 810 O GLU A 53 -1.674 1.316 -8.579 1.00 0.00 O ATOM 811 CB GLU A 53 -1.404 1.450 -11.616 1.00 0.00 C ATOM 812 CG GLU A 53 -1.466 2.301 -12.886 1.00 0.00 C ATOM 813 CD GLU A 53 -0.077 2.464 -13.506 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.501 1.423 -13.885 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.376 3.627 -13.586 1.00 0.00 O ATOM 0 H GLU A 53 1.291 1.385 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.965 3.130 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.984 0.472 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.412 1.282 -11.237 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.138 1.835 -13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.880 3.281 -12.651 1.00 0.00 H new ATOM 822 N GLY A 54 0.506 0.781 -8.850 1.00 0.00 N ATOM 823 CA GLY A 54 0.587 0.017 -7.617 1.00 0.00 C ATOM 824 C GLY A 54 0.248 -1.455 -7.860 1.00 0.00 C ATOM 825 O GLY A 54 -0.114 -1.837 -8.972 1.00 0.00 O ATOM 0 H GLY A 54 1.374 0.822 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.591 0.099 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.099 0.435 -6.880 1.00 0.00 H new ATOM 829 N THR A 55 0.376 -2.241 -6.802 1.00 0.00 N ATOM 830 CA THR A 55 0.087 -3.663 -6.886 1.00 0.00 C ATOM 831 C THR A 55 -0.154 -4.242 -5.491 1.00 0.00 C ATOM 832 O THR A 55 0.289 -3.674 -4.494 1.00 0.00 O ATOM 833 CB THR A 55 1.241 -4.336 -7.632 1.00 0.00 C ATOM 834 OG1 THR A 55 0.765 -5.654 -7.890 1.00 0.00 O ATOM 835 CG2 THR A 55 2.467 -4.550 -6.742 1.00 0.00 C ATOM 0 H THR A 55 0.676 -1.921 -5.881 1.00 0.00 H new ATOM 0 HA THR A 55 -0.832 -3.848 -7.443 1.00 0.00 H new ATOM 0 HB THR A 55 1.519 -3.730 -8.494 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.451 -6.161 -8.373 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.257 -5.031 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.822 -3.587 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.197 -5.185 -5.898 1.00 0.00 H new ATOM 843 N PHE A 56 -0.857 -5.365 -5.464 1.00 0.00 N ATOM 844 CA PHE A 56 -1.163 -6.027 -4.208 1.00 0.00 C ATOM 845 C PHE A 56 -0.353 -7.316 -4.056 1.00 0.00 C ATOM 846 O PHE A 56 -0.902 -8.360 -3.707 1.00 0.00 O ATOM 847 CB PHE A 56 -2.652 -6.374 -4.236 1.00 0.00 C ATOM 848 CG PHE A 56 -3.576 -5.173 -4.022 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.517 -4.469 -2.860 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.456 -4.811 -4.993 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.374 -3.354 -2.662 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.313 -3.696 -4.795 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.254 -2.991 -3.633 1.00 0.00 C ATOM 0 H PHE A 56 -1.223 -5.833 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.914 -5.373 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.889 -6.835 -5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.856 -7.118 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.819 -4.758 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.503 -5.371 -5.915 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.327 -2.794 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.011 -3.408 -5.567 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.906 -2.143 -3.482 1.00 0.00 H new ATOM 863 N ASP A 57 0.939 -7.201 -4.325 1.00 0.00 N ATOM 864 CA ASP A 57 1.830 -8.344 -4.223 1.00 0.00 C ATOM 865 C ASP A 57 2.748 -8.163 -3.013 1.00 0.00 C ATOM 866 O ASP A 57 3.667 -7.346 -3.044 1.00 0.00 O ATOM 867 CB ASP A 57 2.708 -8.471 -5.469 1.00 0.00 C ATOM 868 CG ASP A 57 3.332 -9.852 -5.683 1.00 0.00 C ATOM 869 OD1 ASP A 57 2.938 -10.774 -4.937 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.189 -9.953 -6.587 1.00 0.00 O ATOM 0 H ASP A 57 1.390 -6.333 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 57 1.218 -9.240 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.109 -8.220 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.508 -7.733 -5.408 1.00 0.00 H new ATOM 875 N LEU A 58 2.468 -8.939 -1.976 1.00 0.00 N ATOM 876 CA LEU A 58 3.257 -8.874 -0.758 1.00 0.00 C ATOM 877 C LEU A 58 4.739 -9.029 -1.107 1.00 0.00 C ATOM 878 O LEU A 58 5.604 -8.516 -0.399 1.00 0.00 O ATOM 879 CB LEU A 58 2.755 -9.899 0.261 1.00 0.00 C ATOM 880 CG LEU A 58 3.296 -9.750 1.684 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.359 -8.896 2.540 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.561 -11.118 2.316 1.00 0.00 C ATOM 0 H LEU A 58 1.705 -9.616 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 58 3.141 -7.901 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.667 -9.841 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.009 -10.896 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 58 4.252 -9.228 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.767 -8.806 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.264 -7.905 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.378 -9.368 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.945 -10.983 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.632 -11.688 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.295 -11.659 1.718 1.00 0.00 H new ATOM 894 N THR A 59 4.986 -9.738 -2.199 1.00 0.00 N ATOM 895 CA THR A 59 6.348 -9.967 -2.650 1.00 0.00 C ATOM 896 C THR A 59 7.033 -8.637 -2.972 1.00 0.00 C ATOM 897 O THR A 59 8.118 -8.355 -2.465 1.00 0.00 O ATOM 898 CB THR A 59 6.297 -10.928 -3.840 1.00 0.00 C ATOM 899 OG1 THR A 59 5.584 -12.057 -3.343 1.00 0.00 O ATOM 900 CG2 THR A 59 7.675 -11.486 -4.202 1.00 0.00 C ATOM 0 H THR A 59 4.266 -10.161 -2.784 1.00 0.00 H new ATOM 0 HA THR A 59 6.952 -10.427 -1.868 1.00 0.00 H new ATOM 0 HB THR A 59 5.876 -10.414 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.503 -12.730 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.582 -12.162 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.343 -10.665 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.083 -12.029 -3.350 1.00 0.00 H new ATOM 908 N VAL A 60 6.372 -7.856 -3.814 1.00 0.00 N ATOM 909 CA VAL A 60 6.904 -6.563 -4.209 1.00 0.00 C ATOM 910 C VAL A 60 6.851 -5.607 -3.016 1.00 0.00 C ATOM 911 O VAL A 60 7.785 -4.839 -2.789 1.00 0.00 O ATOM 912 CB VAL A 60 6.147 -6.037 -5.430 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.897 -5.262 -5.008 1.00 0.00 C ATOM 914 CG2 VAL A 60 7.055 -5.175 -6.310 1.00 0.00 C ATOM 0 H VAL A 60 5.473 -8.094 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 60 7.949 -6.655 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 60 5.826 -6.896 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.377 -4.899 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.235 -5.919 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.187 -4.416 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.492 -4.814 -7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.420 -4.325 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.901 -5.771 -6.654 1.00 0.00 H new ATOM 924 N ILE A 61 5.749 -5.686 -2.284 1.00 0.00 N ATOM 925 CA ILE A 61 5.562 -4.838 -1.119 1.00 0.00 C ATOM 926 C ILE A 61 6.752 -5.010 -0.172 1.00 0.00 C ATOM 927 O ILE A 61 7.342 -4.027 0.274 1.00 0.00 O ATOM 928 CB ILE A 61 4.209 -5.119 -0.463 1.00 0.00 C ATOM 929 CG1 ILE A 61 3.061 -4.593 -1.328 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.160 -4.556 0.958 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.749 -5.304 -0.990 1.00 0.00 C ATOM 0 H ILE A 61 4.977 -6.324 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 61 5.536 -3.789 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 61 4.085 -6.199 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.947 -3.520 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.298 -4.741 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.187 -4.770 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.942 -5.019 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.316 -3.478 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.950 -4.911 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.859 -6.374 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.503 -5.134 0.058 1.00 0.00 H new ATOM 943 N PHE A 62 7.068 -6.266 0.107 1.00 0.00 N ATOM 944 CA PHE A 62 8.176 -6.579 0.993 1.00 0.00 C ATOM 945 C PHE A 62 9.462 -5.893 0.527 1.00 0.00 C ATOM 946 O PHE A 62 10.286 -5.489 1.346 1.00 0.00 O ATOM 947 CB PHE A 62 8.375 -8.095 0.943 1.00 0.00 C ATOM 948 CG PHE A 62 8.138 -8.799 2.281 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.874 -8.930 2.766 1.00 0.00 C ATOM 950 CD2 PHE A 62 9.191 -9.293 2.985 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.654 -9.583 4.007 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.972 -9.946 4.226 1.00 0.00 C ATOM 953 CZ PHE A 62 7.708 -10.077 4.711 1.00 0.00 C ATOM 0 H PHE A 62 6.576 -7.079 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 62 7.955 -6.230 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.699 -8.515 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.390 -8.307 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.038 -8.537 2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.195 -9.188 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.650 -9.688 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.809 -10.339 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.541 -10.573 5.655 1.00 0.00 H new ATOM 963 N GLU A 63 9.592 -5.781 -0.787 1.00 0.00 N ATOM 964 CA GLU A 63 10.763 -5.151 -1.372 1.00 0.00 C ATOM 965 C GLU A 63 10.758 -3.648 -1.081 1.00 0.00 C ATOM 966 O GLU A 63 11.745 -3.104 -0.589 1.00 0.00 O ATOM 967 CB GLU A 63 10.836 -5.418 -2.876 1.00 0.00 C ATOM 968 CG GLU A 63 11.501 -6.766 -3.162 1.00 0.00 C ATOM 969 CD GLU A 63 13.014 -6.606 -3.332 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.700 -6.560 -2.288 1.00 0.00 O ATOM 971 OE2 GLU A 63 13.449 -6.532 -4.501 1.00 0.00 O ATOM 0 H GLU A 63 8.905 -6.116 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 63 11.652 -5.587 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.832 -5.407 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.397 -4.621 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.294 -7.458 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.074 -7.202 -4.065 1.00 0.00 H new ATOM 978 N VAL A 64 9.635 -3.021 -1.399 1.00 0.00 N ATOM 979 CA VAL A 64 9.488 -1.592 -1.179 1.00 0.00 C ATOM 980 C VAL A 64 9.523 -1.306 0.324 1.00 0.00 C ATOM 981 O VAL A 64 10.106 -0.313 0.757 1.00 0.00 O ATOM 982 CB VAL A 64 8.212 -1.087 -1.854 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.825 0.297 -1.329 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.365 -1.073 -3.376 1.00 0.00 C ATOM 0 H VAL A 64 8.818 -3.476 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 64 10.316 -1.048 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 64 7.406 -1.777 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.914 0.633 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.654 0.243 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.631 1.002 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.443 -0.710 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.190 -0.416 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.571 -2.083 -3.730 1.00 0.00 H new ATOM 994 N LYS A 65 8.893 -2.194 1.078 1.00 0.00 N ATOM 995 CA LYS A 65 8.844 -2.050 2.523 1.00 0.00 C ATOM 996 C LYS A 65 10.258 -2.181 3.092 1.00 0.00 C ATOM 997 O LYS A 65 10.699 -1.337 3.870 1.00 0.00 O ATOM 998 CB LYS A 65 7.844 -3.037 3.127 1.00 0.00 C ATOM 999 CG LYS A 65 7.972 -3.084 4.651 1.00 0.00 C ATOM 1000 CD LYS A 65 7.335 -4.356 5.216 1.00 0.00 C ATOM 1001 CE LYS A 65 8.103 -4.855 6.441 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.421 -6.294 6.302 1.00 0.00 N ATOM 0 H LYS A 65 8.412 -3.017 0.715 1.00 0.00 H new ATOM 0 HA LYS A 65 8.481 -1.059 2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.830 -2.746 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.014 -4.031 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.024 -3.044 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.492 -2.208 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.298 -4.158 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.321 -5.131 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.023 -4.283 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.509 -4.693 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.942 -6.617 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.539 -6.837 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.006 -6.440 5.454 1.00 0.00 H new ATOM 1016 N ALA A 66 10.931 -3.247 2.681 1.00 0.00 N ATOM 1017 CA ALA A 66 12.286 -3.499 3.140 1.00 0.00 C ATOM 1018 C ALA A 66 13.157 -2.277 2.842 1.00 0.00 C ATOM 1019 O ALA A 66 14.158 -2.045 3.518 1.00 0.00 O ATOM 1020 CB ALA A 66 12.820 -4.771 2.478 1.00 0.00 C ATOM 0 H ALA A 66 10.563 -3.945 2.035 1.00 0.00 H new ATOM 0 HA ALA A 66 12.303 -3.660 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.837 -4.961 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.183 -5.615 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.821 -4.645 1.395 1.00 0.00 H new ATOM 1026 N ILE A 67 12.744 -1.528 1.831 1.00 0.00 N ATOM 1027 CA ILE A 67 13.474 -0.335 1.436 1.00 0.00 C ATOM 1028 C ILE A 67 13.200 0.782 2.444 1.00 0.00 C ATOM 1029 O ILE A 67 14.131 1.395 2.965 1.00 0.00 O ATOM 1030 CB ILE A 67 13.139 0.044 -0.008 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.727 -0.970 -0.992 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.591 1.472 -0.319 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.034 -0.879 -2.353 1.00 0.00 C ATOM 0 H ILE A 67 11.913 -1.724 1.273 1.00 0.00 H new ATOM 0 HA ILE A 67 14.548 -0.522 1.451 1.00 0.00 H new ATOM 0 HB ILE A 67 12.056 0.016 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.795 -0.789 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.617 -1.977 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.341 1.716 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.086 2.168 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.669 1.551 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.471 -1.610 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.970 -1.084 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.167 0.122 -2.763 1.00 0.00 H new ATOM 1045 N VAL A 68 11.919 1.014 2.689 1.00 0.00 N ATOM 1046 CA VAL A 68 11.511 2.047 3.626 1.00 0.00 C ATOM 1047 C VAL A 68 11.897 1.625 5.045 1.00 0.00 C ATOM 1048 O VAL A 68 12.150 2.470 5.901 1.00 0.00 O ATOM 1049 CB VAL A 68 10.016 2.332 3.473 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.594 2.272 2.003 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.185 1.368 4.322 1.00 0.00 C ATOM 0 H VAL A 68 11.150 0.504 2.255 1.00 0.00 H new ATOM 0 HA VAL A 68 12.030 2.982 3.413 1.00 0.00 H new ATOM 0 HB VAL A 68 9.829 3.343 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.527 2.478 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.151 3.016 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.803 1.279 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.126 1.592 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.380 0.343 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.457 1.481 5.372 1.00 0.00 H new ATOM 1061 N PHE A 69 11.931 0.316 5.249 1.00 0.00 N ATOM 1062 CA PHE A 69 12.282 -0.229 6.550 1.00 0.00 C ATOM 1063 C PHE A 69 13.755 -0.641 6.592 1.00 0.00 C ATOM 1064 O PHE A 69 14.129 -1.546 7.337 1.00 0.00 O ATOM 1065 CB PHE A 69 11.412 -1.469 6.764 1.00 0.00 C ATOM 1066 CG PHE A 69 10.009 -1.162 7.293 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.799 -1.036 8.631 1.00 0.00 C ATOM 1068 CD2 PHE A 69 8.973 -1.014 6.425 1.00 0.00 C ATOM 1069 CE1 PHE A 69 8.498 -0.750 9.122 1.00 0.00 C ATOM 1070 CE2 PHE A 69 7.671 -0.728 6.916 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.461 -0.603 8.254 1.00 0.00 C ATOM 0 H PHE A 69 11.721 -0.383 4.536 1.00 0.00 H new ATOM 0 HA PHE A 69 12.120 0.521 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.323 -2.005 5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.915 -2.137 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.622 -1.154 9.320 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.140 -1.114 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.332 -0.649 10.184 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.848 -0.610 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.471 -0.387 8.627 1.00 0.00 H new ATOM 1081 N GLN A 70 14.551 0.043 5.783 1.00 0.00 N ATOM 1082 CA GLN A 70 15.974 -0.240 5.719 1.00 0.00 C ATOM 1083 C GLN A 70 16.709 0.475 6.855 1.00 0.00 C ATOM 1084 O GLN A 70 16.080 1.011 7.766 1.00 0.00 O ATOM 1085 CB GLN A 70 16.551 0.156 4.359 1.00 0.00 C ATOM 1086 CG GLN A 70 16.722 1.673 4.256 1.00 0.00 C ATOM 1087 CD GLN A 70 17.311 2.067 2.900 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.515 2.114 2.707 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.398 2.348 1.974 1.00 0.00 N ATOM 0 H GLN A 70 14.237 0.792 5.166 1.00 0.00 H new ATOM 0 HA GLN A 70 16.117 -1.314 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.514 -0.333 4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.892 -0.194 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.757 2.162 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.374 2.024 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.406 2.289 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.690 2.622 1.036 1.00 0.00 H new ATOM 1149 N HIS A 76 12.288 5.134 5.487 1.00 0.00 N ATOM 1150 CA HIS A 76 11.185 6.080 5.454 1.00 0.00 C ATOM 1151 C HIS A 76 10.176 5.729 6.549 1.00 0.00 C ATOM 1152 O HIS A 76 9.362 4.822 6.381 1.00 0.00 O ATOM 1153 CB HIS A 76 10.555 6.132 4.061 1.00 0.00 C ATOM 1154 CG HIS A 76 11.549 6.006 2.932 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.483 6.986 2.642 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.746 5.006 2.026 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.203 6.583 1.606 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.745 5.357 1.225 1.00 0.00 N ATOM 0 HA HIS A 76 11.556 7.084 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 76 9.820 5.331 3.976 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.015 7.073 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.185 4.085 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.011 7.130 1.144 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.110 4.801 0.452 1.00 0.00 H new ATOM 1166 N PRO A 77 10.264 6.485 7.676 1.00 0.00 N ATOM 1167 CA PRO A 77 9.368 6.263 8.798 1.00 0.00 C ATOM 1168 C PRO A 77 7.970 6.808 8.500 1.00 0.00 C ATOM 1169 O PRO A 77 7.029 6.557 9.252 1.00 0.00 O ATOM 1170 CB PRO A 77 10.036 6.954 9.977 1.00 0.00 C ATOM 1171 CG PRO A 77 11.038 7.926 9.377 1.00 0.00 C ATOM 1172 CD PRO A 77 11.215 7.568 7.910 1.00 0.00 C ATOM 0 HA PRO A 77 9.212 5.205 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.302 7.478 10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.533 6.231 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.683 8.952 9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.991 7.865 9.902 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.008 8.423 7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.236 7.250 7.700 1.00 0.00 H new ATOM 1180 N ASP A 78 7.878 7.544 7.402 1.00 0.00 N ATOM 1181 CA ASP A 78 6.611 8.126 6.995 1.00 0.00 C ATOM 1182 C ASP A 78 5.846 7.121 6.131 1.00 0.00 C ATOM 1183 O ASP A 78 4.626 7.007 6.238 1.00 0.00 O ATOM 1184 CB ASP A 78 6.828 9.393 6.166 1.00 0.00 C ATOM 1185 CG ASP A 78 5.628 10.340 6.106 1.00 0.00 C ATOM 1186 OD1 ASP A 78 4.492 9.824 6.189 1.00 0.00 O ATOM 1187 OD2 ASP A 78 5.873 11.559 5.979 1.00 0.00 O ATOM 0 H ASP A 78 8.661 7.750 6.782 1.00 0.00 H new ATOM 0 HA ASP A 78 6.050 8.376 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.680 9.936 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.094 9.103 5.150 1.00 0.00 H new ATOM 1192 N GLN A 79 6.596 6.417 5.296 1.00 0.00 N ATOM 1193 CA GLN A 79 6.004 5.425 4.414 1.00 0.00 C ATOM 1194 C GLN A 79 5.923 4.069 5.119 1.00 0.00 C ATOM 1195 O GLN A 79 5.191 3.182 4.683 1.00 0.00 O ATOM 1196 CB GLN A 79 6.789 5.316 3.105 1.00 0.00 C ATOM 1197 CG GLN A 79 6.852 6.667 2.390 1.00 0.00 C ATOM 1198 CD GLN A 79 7.829 6.620 1.213 1.00 0.00 C ATOM 1199 OE1 GLN A 79 7.803 5.723 0.387 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.690 7.633 1.184 1.00 0.00 N ATOM 0 H GLN A 79 7.608 6.514 5.211 1.00 0.00 H new ATOM 0 HA GLN A 79 4.992 5.746 4.167 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.799 4.962 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.319 4.578 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.859 6.940 2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.161 7.440 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.657 8.351 1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.383 7.692 0.438 1.00 0.00 H new ATOM 1209 N GLN A 80 6.685 3.952 6.196 1.00 0.00 N ATOM 1210 CA GLN A 80 6.709 2.720 6.966 1.00 0.00 C ATOM 1211 C GLN A 80 5.283 2.252 7.263 1.00 0.00 C ATOM 1212 O GLN A 80 4.949 1.088 7.048 1.00 0.00 O ATOM 1213 CB GLN A 80 7.509 2.895 8.257 1.00 0.00 C ATOM 1214 CG GLN A 80 8.943 2.390 8.087 1.00 0.00 C ATOM 1215 CD GLN A 80 9.857 2.954 9.178 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.457 3.161 10.312 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.101 3.189 8.773 1.00 0.00 N ATOM 0 H GLN A 80 7.291 4.690 6.554 1.00 0.00 H new ATOM 0 HA GLN A 80 7.206 1.953 6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.522 3.947 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.022 2.352 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.955 1.301 8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.320 2.679 7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.369 2.993 7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.788 3.566 9.427 1.00 0.00 H new ATOM 1226 N PRO A 81 4.458 3.209 7.767 1.00 0.00 N ATOM 1227 CA PRO A 81 3.075 2.907 8.096 1.00 0.00 C ATOM 1228 C PRO A 81 2.223 2.789 6.831 1.00 0.00 C ATOM 1229 O PRO A 81 1.175 2.145 6.842 1.00 0.00 O ATOM 1230 CB PRO A 81 2.632 4.040 9.008 1.00 0.00 C ATOM 1231 CG PRO A 81 3.624 5.169 8.782 1.00 0.00 C ATOM 1232 CD PRO A 81 4.818 4.598 8.035 1.00 0.00 C ATOM 0 HA PRO A 81 2.961 1.944 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.617 4.359 8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.631 3.724 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.163 5.973 8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.938 5.597 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.005 5.144 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.727 4.663 8.633 1.00 0.00 H new ATOM 1240 N TYR A 82 2.704 3.422 5.771 1.00 0.00 N ATOM 1241 CA TYR A 82 2.000 3.396 4.501 1.00 0.00 C ATOM 1242 C TYR A 82 2.198 2.055 3.791 1.00 0.00 C ATOM 1243 O TYR A 82 1.233 1.432 3.353 1.00 0.00 O ATOM 1244 CB TYR A 82 2.622 4.506 3.651 1.00 0.00 C ATOM 1245 CG TYR A 82 2.193 5.917 4.061 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.351 6.334 5.366 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.649 6.772 3.124 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.948 7.662 5.752 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.246 8.100 3.509 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.416 8.479 4.804 1.00 0.00 C ATOM 1251 OH TYR A 82 1.035 9.733 5.168 1.00 0.00 O ATOM 0 H TYR A 82 3.573 3.956 5.766 1.00 0.00 H new ATOM 0 HA TYR A 82 0.930 3.536 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.708 4.434 3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.353 4.344 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.777 5.665 6.099 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.526 6.445 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.066 8.001 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.819 8.779 2.786 1.00 0.00 H new ATOM 0 HH TYR A 82 1.778 10.355 5.024 1.00 0.00 H new ATOM 1261 N ILE A 83 3.457 1.651 3.699 1.00 0.00 N ATOM 1262 CA ILE A 83 3.794 0.396 3.049 1.00 0.00 C ATOM 1263 C ILE A 83 3.241 -0.766 3.877 1.00 0.00 C ATOM 1264 O ILE A 83 2.979 -1.843 3.344 1.00 0.00 O ATOM 1265 CB ILE A 83 5.301 0.310 2.799 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.630 -0.810 1.811 1.00 0.00 C ATOM 1267 CG2 ILE A 83 6.068 0.158 4.115 1.00 0.00 C ATOM 1268 CD1 ILE A 83 5.049 -0.510 0.428 1.00 0.00 C ATOM 0 H ILE A 83 4.255 2.171 4.064 1.00 0.00 H new ATOM 0 HA ILE A 83 3.327 0.339 2.066 1.00 0.00 H new ATOM 0 HB ILE A 83 5.625 1.246 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.711 -0.929 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.230 -1.754 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.137 0.099 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.869 1.018 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.746 -0.752 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.298 -1.322 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.966 -0.416 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.469 0.422 0.051 1.00 0.00 H new ATOM 1280 N THR A 84 3.080 -0.508 5.166 1.00 0.00 N ATOM 1281 CA THR A 84 2.563 -1.519 6.073 1.00 0.00 C ATOM 1282 C THR A 84 1.111 -1.854 5.726 1.00 0.00 C ATOM 1283 O THR A 84 0.759 -3.022 5.571 1.00 0.00 O ATOM 1284 CB THR A 84 2.743 -1.008 7.504 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.108 -1.288 7.803 1.00 0.00 O ATOM 1286 CG2 THR A 84 1.960 -1.837 8.524 1.00 0.00 C ATOM 0 H THR A 84 3.298 0.387 5.604 1.00 0.00 H new ATOM 0 HA THR A 84 3.112 -2.455 5.976 1.00 0.00 H new ATOM 0 HB THR A 84 2.424 0.033 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.621 -0.453 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.122 -1.432 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.897 -1.799 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.302 -2.871 8.492 1.00 0.00 H new ATOM 1294 N VAL A 85 0.306 -0.807 5.613 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.100 -0.975 5.287 1.00 0.00 C ATOM 1296 C VAL A 85 -1.226 -1.786 3.996 1.00 0.00 C ATOM 1297 O VAL A 85 -2.098 -2.646 3.881 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.785 0.390 5.205 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.247 0.245 4.780 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.672 1.141 6.534 1.00 0.00 C ATOM 0 H VAL A 85 0.601 0.161 5.742 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.610 -1.533 6.072 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.272 0.977 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.711 1.230 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.296 -0.230 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.778 -0.369 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.167 2.108 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.148 0.558 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.621 1.292 6.778 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.342 -1.483 3.056 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.344 -2.173 1.777 1.00 0.00 C ATOM 1312 C TRP A 86 -0.083 -3.658 2.041 1.00 0.00 C ATOM 1313 O TRP A 86 -0.656 -4.519 1.375 1.00 0.00 O ATOM 1314 CB TRP A 86 0.670 -1.549 0.817 1.00 0.00 C ATOM 1315 CG TRP A 86 0.124 -0.363 0.019 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.004 0.911 0.414 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.373 -0.394 -1.335 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.533 1.701 -0.582 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.769 0.882 -1.680 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.485 -1.465 -2.240 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.304 1.207 -2.932 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.021 -1.123 -3.487 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.424 0.157 -3.849 1.00 0.00 C ATOM 0 H TRP A 86 0.380 -0.769 3.155 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.311 -2.072 1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.540 -1.221 1.386 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.015 -2.314 0.121 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.291 1.275 1.390 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.722 2.702 -0.523 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.181 -2.471 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.608 2.214 -3.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.129 -1.909 -4.220 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.828 0.340 -4.834 1.00 0.00 H new ATOM 1334 N GLN A 87 0.781 -3.911 3.013 1.00 0.00 N ATOM 1335 CA GLN A 87 1.124 -5.276 3.372 1.00 0.00 C ATOM 1336 C GLN A 87 -0.076 -5.973 4.016 1.00 0.00 C ATOM 1337 O GLN A 87 -0.303 -7.161 3.791 1.00 0.00 O ATOM 1338 CB GLN A 87 2.340 -5.310 4.299 1.00 0.00 C ATOM 1339 CG GLN A 87 2.617 -6.733 4.789 1.00 0.00 C ATOM 1340 CD GLN A 87 2.836 -6.758 6.303 1.00 0.00 C ATOM 1341 OE1 GLN A 87 2.199 -6.046 7.061 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.772 -7.617 6.700 1.00 0.00 N ATOM 0 H GLN A 87 1.254 -3.194 3.563 1.00 0.00 H new ATOM 0 HA GLN A 87 1.387 -5.815 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.214 -4.926 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.169 -4.654 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.780 -7.381 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.497 -7.131 4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.268 -8.184 6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.993 -7.708 7.692 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.813 -5.205 4.804 1.00 0.00 N ATOM 1352 CA ASP A 88 -1.985 -5.734 5.482 1.00 0.00 C ATOM 1353 C ASP A 88 -3.122 -5.900 4.472 1.00 0.00 C ATOM 1354 O ASP A 88 -3.978 -6.768 4.633 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.463 -4.781 6.580 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.872 -5.057 7.107 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.327 -6.209 6.936 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.463 -4.110 7.669 1.00 0.00 O ATOM 0 H ASP A 88 -0.622 -4.220 4.989 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.713 -6.691 5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.763 -4.831 7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.428 -3.762 6.196 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.094 -5.053 3.453 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.112 -5.095 2.417 1.00 0.00 C ATOM 1365 C LEU A 89 -4.009 -6.422 1.661 1.00 0.00 C ATOM 1366 O LEU A 89 -4.996 -7.144 1.532 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.009 -3.864 1.515 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.775 -2.625 1.982 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.237 -1.361 1.308 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.280 -2.795 1.761 1.00 0.00 C ATOM 0 H LEU A 89 -2.382 -4.334 3.323 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.108 -5.055 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.956 -3.599 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.367 -4.135 0.522 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.617 -2.511 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.799 -0.495 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.184 -1.235 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.345 -1.451 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.801 -1.900 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.477 -2.948 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.635 -3.658 2.324 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.806 -6.702 1.182 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.562 -7.928 0.442 1.00 0.00 C ATOM 1384 C VAL A 90 -2.911 -9.129 1.324 1.00 0.00 C ATOM 1385 O VAL A 90 -3.543 -10.079 0.865 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.118 -7.957 -0.062 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.851 -6.800 -1.026 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.129 -7.937 1.106 1.00 0.00 C ATOM 0 H VAL A 90 -1.990 -6.101 1.292 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.201 -7.975 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.972 -8.889 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.183 -6.844 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.521 -6.877 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.024 -5.853 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.890 -7.958 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.276 -7.030 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.296 -8.809 1.739 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.485 -9.047 2.576 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.745 -10.114 3.527 1.00 0.00 C ATOM 1400 C GLN A 91 -4.252 -10.307 3.710 1.00 0.00 C ATOM 1401 O GLN A 91 -4.795 -11.351 3.350 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.062 -9.834 4.867 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.600 -10.287 4.843 1.00 0.00 C ATOM 1404 CD GLN A 91 0.164 -9.739 6.049 1.00 0.00 C ATOM 1405 OE1 GLN A 91 0.279 -8.541 6.252 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.679 -10.679 6.837 1.00 0.00 N ATOM 0 H GLN A 91 -1.961 -8.258 2.954 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.325 -11.038 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.113 -8.768 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.594 -10.352 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.553 -11.376 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.125 -9.947 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.546 -11.664 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.207 -10.414 7.669 1.00 0.00 H new ATOM 1415 N ASN A 92 -4.883 -9.286 4.268 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.317 -9.330 4.503 1.00 0.00 C ATOM 1417 C ASN A 92 -7.049 -8.831 3.256 1.00 0.00 C ATOM 1418 O ASN A 92 -7.867 -7.915 3.336 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.711 -8.429 5.675 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.404 -9.104 7.013 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.081 -10.023 7.444 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.348 -8.599 7.644 1.00 0.00 N ATOM 0 H ASN A 92 -4.428 -8.422 4.565 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.590 -10.360 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.172 -7.484 5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.774 -8.195 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.061 -8.982 8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.825 -7.829 7.227 1.00 0.00 H new ATOM 1429 N SER A 93 -6.729 -9.454 2.131 1.00 0.00 N ATOM 1430 CA SER A 93 -7.346 -9.085 0.869 1.00 0.00 C ATOM 1431 C SER A 93 -8.816 -8.723 1.091 1.00 0.00 C ATOM 1432 O SER A 93 -9.626 -9.584 1.433 1.00 0.00 O ATOM 1433 CB SER A 93 -7.227 -10.216 -0.155 1.00 0.00 C ATOM 1434 OG SER A 93 -8.052 -11.328 0.180 1.00 0.00 O ATOM 0 H SER A 93 -6.050 -10.212 2.068 1.00 0.00 H new ATOM 0 HA SER A 93 -6.820 -8.216 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.504 -9.843 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.188 -10.541 -0.217 1.00 0.00 H new ATOM 0 HG SER A 93 -8.736 -11.046 0.823 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.124 -7.415 0.883 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.482 -6.929 1.057 1.00 0.00 C ATOM 1442 C PRO A 94 -11.373 -7.360 -0.110 1.00 0.00 C ATOM 1443 O PRO A 94 -10.875 -7.781 -1.153 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.348 -5.420 1.176 1.00 0.00 C ATOM 1445 CG PRO A 94 -8.983 -5.076 0.602 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.191 -6.368 0.478 1.00 0.00 C ATOM 0 HA PRO A 94 -10.967 -7.343 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.142 -4.913 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.426 -5.102 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.088 -4.597 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.463 -4.370 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.842 -6.522 -0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.309 -6.355 1.118 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.709 -7.236 0.110 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.673 -7.608 -0.911 1.00 0.00 C ATOM 1456 C PRO A 95 -13.725 -6.560 -2.024 1.00 0.00 C ATOM 1457 O PRO A 95 -14.124 -6.861 -3.148 1.00 0.00 O ATOM 1458 CB PRO A 95 -14.993 -7.754 -0.171 1.00 0.00 C ATOM 1459 CG PRO A 95 -14.819 -7.011 1.143 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.335 -6.741 1.333 1.00 0.00 C ATOM 0 HA PRO A 95 -13.411 -8.536 -1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.814 -7.334 -0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.229 -8.804 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.378 -6.076 1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.208 -7.603 1.971 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.141 -5.678 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.948 -7.256 2.212 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.315 -5.350 -1.673 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.309 -4.255 -2.629 1.00 0.00 C ATOM 1470 C TRP A 96 -12.055 -4.390 -3.494 1.00 0.00 C ATOM 1471 O TRP A 96 -11.918 -3.704 -4.506 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.401 -2.904 -1.916 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.366 -2.715 -0.805 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.489 -3.009 0.496 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.036 -2.174 -0.952 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.341 -2.698 1.196 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.429 -2.174 0.287 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.368 -1.700 -2.095 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.125 -1.712 0.502 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.066 -1.241 -1.863 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.441 -1.235 -0.622 1.00 0.00 C ATOM 0 H TRP A 96 -12.985 -5.103 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.185 -4.303 -3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.280 -2.108 -2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.399 -2.796 -1.491 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.375 -3.436 0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.190 -2.829 2.196 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.823 -1.691 -3.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.671 -1.723 1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.508 -0.865 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.431 -0.864 -0.525 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.171 -5.278 -3.065 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.933 -5.511 -3.789 1.00 0.00 C ATOM 1494 C ILE A 97 -10.081 -6.764 -4.654 1.00 0.00 C ATOM 1495 O ILE A 97 -9.900 -6.708 -5.869 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.749 -5.569 -2.820 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.159 -4.176 -2.593 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.694 -6.567 -3.303 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -6.864 -4.255 -1.781 1.00 0.00 C ATOM 0 H ILE A 97 -11.287 -5.845 -2.225 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.724 -4.681 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.112 -5.926 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.962 -3.700 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.883 -3.551 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.864 -6.589 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.138 -7.560 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.328 -6.264 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.465 -3.251 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.069 -4.710 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.134 -4.860 -2.318 1.00 0.00 H new