USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 590 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 80 THR OG1 : rot -84:sc= 0.0883 USER MOD Set 1.2: A 81 THR OG1 : rot 49:sc= 1.02 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 33 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -1.3 (180deg=-2.24) USER MOD Single : A 62 SER OG : rot 180:sc= 0.462 USER MOD Single : A 65 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-5.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 71 SER OG : rot -46:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.116 -9.697 -3.532 1.00 0.00 N ATOM 64 CA HIS A 3 2.885 -9.180 -4.910 1.00 0.00 C ATOM 65 C HIS A 3 2.775 -7.655 -4.871 1.00 0.00 C ATOM 66 O HIS A 3 1.763 -7.087 -5.231 1.00 0.00 O ATOM 67 CB HIS A 3 1.588 -9.771 -5.466 1.00 0.00 C ATOM 68 CG HIS A 3 1.659 -11.273 -5.416 1.00 0.00 C ATOM 69 ND1 HIS A 3 2.502 -12.002 -6.242 1.00 0.00 N ATOM 70 CD2 HIS A 3 0.998 -12.197 -4.644 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.328 -13.305 -5.952 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.423 -13.475 -4.986 1.00 0.00 N ATOM 0 HA HIS A 3 3.719 -9.468 -5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.736 -9.417 -4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 3 1.435 -9.438 -6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.262 -11.966 -3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.855 -14.112 -6.440 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.109 -14.358 -4.583 1.00 0.00 H new ATOM 81 N ALA A 4 3.808 -6.986 -4.434 1.00 0.00 N ATOM 82 CA ALA A 4 3.757 -5.499 -4.371 1.00 0.00 C ATOM 83 C ALA A 4 3.570 -4.931 -5.779 1.00 0.00 C ATOM 84 O ALA A 4 2.916 -3.926 -5.971 1.00 0.00 O ATOM 85 CB ALA A 4 5.065 -4.967 -3.782 1.00 0.00 C ATOM 0 H ALA A 4 4.683 -7.405 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 4 2.921 -5.194 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.027 -3.879 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.201 -5.368 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.899 -5.275 -4.412 1.00 0.00 H new ATOM 91 N SER A 5 4.144 -5.565 -6.765 1.00 0.00 N ATOM 92 CA SER A 5 4.005 -5.055 -8.158 1.00 0.00 C ATOM 93 C SER A 5 2.527 -5.010 -8.550 1.00 0.00 C ATOM 94 O SER A 5 2.079 -4.094 -9.212 1.00 0.00 O ATOM 95 CB SER A 5 4.756 -5.981 -9.115 1.00 0.00 C ATOM 96 OG SER A 5 6.105 -6.108 -8.683 1.00 0.00 O ATOM 0 H SER A 5 4.702 -6.413 -6.666 1.00 0.00 H new ATOM 0 HA SER A 5 4.423 -4.050 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.277 -6.960 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.723 -5.581 -10.128 1.00 0.00 H new ATOM 0 HG SER A 5 6.589 -6.702 -9.293 1.00 0.00 H new ATOM 102 N VAL A 6 1.763 -5.988 -8.148 1.00 0.00 N ATOM 103 CA VAL A 6 0.316 -5.990 -8.505 1.00 0.00 C ATOM 104 C VAL A 6 -0.391 -4.837 -7.798 1.00 0.00 C ATOM 105 O VAL A 6 -1.163 -4.111 -8.388 1.00 0.00 O ATOM 106 CB VAL A 6 -0.319 -7.309 -8.069 1.00 0.00 C ATOM 107 CG1 VAL A 6 -1.842 -7.203 -8.180 1.00 0.00 C ATOM 108 CG2 VAL A 6 0.181 -8.439 -8.973 1.00 0.00 C ATOM 0 H VAL A 6 2.076 -6.783 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 6 0.216 -5.873 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.044 -7.521 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.296 -8.144 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.199 -6.398 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.118 -6.991 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.272 -9.381 -8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.094 -8.227 -10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.266 -8.515 -8.895 1.00 0.00 H new ATOM 118 N ILE A 7 -0.135 -4.669 -6.532 1.00 0.00 N ATOM 119 CA ILE A 7 -0.795 -3.571 -5.779 1.00 0.00 C ATOM 120 C ILE A 7 -0.438 -2.223 -6.407 1.00 0.00 C ATOM 121 O ILE A 7 -1.296 -1.408 -6.683 1.00 0.00 O ATOM 122 CB ILE A 7 -0.311 -3.603 -4.328 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.679 -4.953 -3.704 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.982 -2.476 -3.541 1.00 0.00 C ATOM 125 CD1 ILE A 7 -0.008 -5.089 -2.337 1.00 0.00 C ATOM 0 H ILE A 7 0.504 -5.246 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.876 -3.703 -5.813 1.00 0.00 H new ATOM 0 HB ILE A 7 0.770 -3.469 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.761 -5.033 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.362 -5.765 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.637 -2.499 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.724 -1.516 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.064 -2.609 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.272 -6.050 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.074 -5.029 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.347 -4.285 -1.684 1.00 0.00 H new ATOM 137 N ALA A 8 0.823 -1.979 -6.628 1.00 0.00 N ATOM 138 CA ALA A 8 1.245 -0.682 -7.231 1.00 0.00 C ATOM 139 C ALA A 8 0.686 -0.535 -8.652 1.00 0.00 C ATOM 140 O ALA A 8 0.250 0.527 -9.048 1.00 0.00 O ATOM 141 CB ALA A 8 2.772 -0.622 -7.279 1.00 0.00 C ATOM 0 H ALA A 8 1.584 -2.624 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 8 0.856 0.131 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.085 0.325 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.171 -0.702 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.150 -1.446 -7.884 1.00 0.00 H new ATOM 147 N GLN A 9 0.724 -1.579 -9.434 1.00 0.00 N ATOM 148 CA GLN A 9 0.220 -1.473 -10.836 1.00 0.00 C ATOM 149 C GLN A 9 -1.304 -1.304 -10.862 1.00 0.00 C ATOM 150 O GLN A 9 -1.832 -0.460 -11.556 1.00 0.00 O ATOM 151 CB GLN A 9 0.595 -2.749 -11.595 1.00 0.00 C ATOM 152 CG GLN A 9 0.156 -2.628 -13.055 1.00 0.00 C ATOM 153 CD GLN A 9 0.480 -3.928 -13.794 1.00 0.00 C ATOM 154 OE1 GLN A 9 1.547 -4.484 -13.630 1.00 0.00 O ATOM 155 NE2 GLN A 9 -0.405 -4.440 -14.604 1.00 0.00 N ATOM 0 H GLN A 9 1.080 -2.497 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 9 0.673 -0.599 -11.305 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.671 -2.913 -11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.118 -3.613 -11.132 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.913 -2.423 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.665 -1.790 -13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.301 -3.973 -14.741 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.201 -5.308 -15.100 1.00 0.00 H new ATOM 164 N PHE A 10 -2.015 -2.105 -10.129 1.00 0.00 N ATOM 165 CA PHE A 10 -3.501 -1.989 -10.136 1.00 0.00 C ATOM 166 C PHE A 10 -3.951 -0.723 -9.404 1.00 0.00 C ATOM 167 O PHE A 10 -4.834 -0.018 -9.853 1.00 0.00 O ATOM 168 CB PHE A 10 -4.112 -3.224 -9.473 1.00 0.00 C ATOM 169 CG PHE A 10 -5.025 -2.801 -8.351 1.00 0.00 C ATOM 170 CD1 PHE A 10 -4.488 -2.488 -7.102 1.00 0.00 C ATOM 171 CD2 PHE A 10 -6.407 -2.727 -8.561 1.00 0.00 C ATOM 172 CE1 PHE A 10 -5.328 -2.099 -6.056 1.00 0.00 C ATOM 173 CE2 PHE A 10 -7.251 -2.338 -7.514 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.711 -2.025 -6.260 1.00 0.00 C ATOM 0 H PHE A 10 -1.637 -2.835 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.843 -1.924 -11.169 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.669 -3.805 -10.208 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.323 -3.870 -9.088 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.421 -2.547 -6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.821 -2.969 -9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.911 -1.855 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.318 -2.279 -7.673 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.361 -1.727 -5.451 1.00 0.00 H new ATOM 184 N VAL A 11 -3.376 -0.438 -8.269 1.00 0.00 N ATOM 185 CA VAL A 11 -3.803 0.771 -7.506 1.00 0.00 C ATOM 186 C VAL A 11 -3.567 2.042 -8.329 1.00 0.00 C ATOM 187 O VAL A 11 -4.435 2.885 -8.434 1.00 0.00 O ATOM 188 CB VAL A 11 -3.015 0.854 -6.196 1.00 0.00 C ATOM 189 CG1 VAL A 11 -1.594 1.342 -6.479 1.00 0.00 C ATOM 190 CG2 VAL A 11 -3.709 1.835 -5.249 1.00 0.00 C ATOM 0 H VAL A 11 -2.632 -0.986 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.868 0.689 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.973 -0.133 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.036 1.400 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.098 0.646 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.633 2.329 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.150 1.896 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.750 2.821 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.722 1.488 -5.044 1.00 0.00 H new ATOM 200 N VAL A 12 -2.408 2.199 -8.911 1.00 0.00 N ATOM 201 CA VAL A 12 -2.156 3.433 -9.711 1.00 0.00 C ATOM 202 C VAL A 12 -3.106 3.478 -10.907 1.00 0.00 C ATOM 203 O VAL A 12 -3.608 4.524 -11.268 1.00 0.00 O ATOM 204 CB VAL A 12 -0.702 3.460 -10.195 1.00 0.00 C ATOM 205 CG1 VAL A 12 -0.487 2.395 -11.269 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.391 4.839 -10.781 1.00 0.00 C ATOM 0 H VAL A 12 -1.634 1.536 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.333 4.305 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.041 3.256 -9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.549 2.422 -11.606 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.708 1.411 -10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.149 2.591 -12.113 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.642 4.863 -11.127 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.059 5.037 -11.619 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.535 5.601 -10.015 1.00 0.00 H new ATOM 216 N GLU A 13 -3.361 2.359 -11.533 1.00 0.00 N ATOM 217 CA GLU A 13 -4.279 2.368 -12.701 1.00 0.00 C ATOM 218 C GLU A 13 -5.695 2.738 -12.255 1.00 0.00 C ATOM 219 O GLU A 13 -6.421 3.409 -12.962 1.00 0.00 O ATOM 220 CB GLU A 13 -4.288 0.987 -13.351 1.00 0.00 C ATOM 221 CG GLU A 13 -2.971 0.768 -14.092 1.00 0.00 C ATOM 222 CD GLU A 13 -2.982 -0.608 -14.760 1.00 0.00 C ATOM 223 OE1 GLU A 13 -3.896 -1.370 -14.489 1.00 0.00 O ATOM 224 OE2 GLU A 13 -2.076 -0.878 -15.530 1.00 0.00 O ATOM 0 H GLU A 13 -2.975 1.448 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.932 3.108 -13.422 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.424 0.216 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.126 0.904 -14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.830 1.546 -14.842 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.134 0.840 -13.397 1.00 0.00 H new ATOM 231 N GLU A 14 -6.098 2.303 -11.095 1.00 0.00 N ATOM 232 CA GLU A 14 -7.472 2.629 -10.615 1.00 0.00 C ATOM 233 C GLU A 14 -7.603 4.135 -10.370 1.00 0.00 C ATOM 234 O GLU A 14 -8.599 4.742 -10.708 1.00 0.00 O ATOM 235 CB GLU A 14 -7.746 1.876 -9.311 1.00 0.00 C ATOM 236 CG GLU A 14 -9.199 2.101 -8.884 1.00 0.00 C ATOM 237 CD GLU A 14 -9.445 1.422 -7.536 1.00 0.00 C ATOM 238 OE1 GLU A 14 -8.507 0.854 -7.000 1.00 0.00 O ATOM 239 OE2 GLU A 14 -10.569 1.480 -7.062 1.00 0.00 O ATOM 0 H GLU A 14 -5.538 1.737 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.194 2.329 -11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.557 0.811 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.069 2.222 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.406 3.169 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.877 1.697 -9.636 1.00 0.00 H new ATOM 246 N PHE A 15 -6.611 4.741 -9.779 1.00 0.00 N ATOM 247 CA PHE A 15 -6.690 6.206 -9.510 1.00 0.00 C ATOM 248 C PHE A 15 -6.088 6.998 -10.673 1.00 0.00 C ATOM 249 O PHE A 15 -6.644 7.986 -11.111 1.00 0.00 O ATOM 250 CB PHE A 15 -5.925 6.537 -8.225 1.00 0.00 C ATOM 251 CG PHE A 15 -6.650 5.949 -7.038 1.00 0.00 C ATOM 252 CD1 PHE A 15 -7.783 6.591 -6.523 1.00 0.00 C ATOM 253 CD2 PHE A 15 -6.188 4.767 -6.448 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.453 6.050 -5.420 1.00 0.00 C ATOM 255 CE2 PHE A 15 -6.858 4.225 -5.345 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.992 4.867 -4.832 1.00 0.00 C ATOM 0 H PHE A 15 -5.751 4.288 -9.471 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.739 6.482 -9.398 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.912 6.138 -8.280 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.836 7.617 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.140 7.504 -6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.313 4.272 -6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.326 6.546 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.501 3.313 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.511 4.449 -3.982 1.00 0.00 H new ATOM 266 N LEU A 16 -4.949 6.585 -11.161 1.00 0.00 N ATOM 267 CA LEU A 16 -4.300 7.327 -12.278 1.00 0.00 C ATOM 268 C LEU A 16 -4.083 6.395 -13.479 1.00 0.00 C ATOM 269 O LEU A 16 -2.995 5.900 -13.691 1.00 0.00 O ATOM 270 CB LEU A 16 -2.944 7.843 -11.797 1.00 0.00 C ATOM 271 CG LEU A 16 -3.109 9.252 -11.224 1.00 0.00 C ATOM 272 CD1 LEU A 16 -1.878 9.611 -10.391 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.258 10.257 -12.370 1.00 0.00 C ATOM 0 H LEU A 16 -4.440 5.764 -10.833 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.940 8.155 -12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.537 7.175 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.234 7.856 -12.624 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.998 9.285 -10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.995 10.615 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.771 8.897 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.990 9.577 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.376 11.260 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.370 10.224 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.135 10.003 -12.965 1.00 0.00 H new ATOM 285 N PRO A 17 -5.107 6.161 -14.265 1.00 0.00 N ATOM 286 CA PRO A 17 -5.002 5.277 -15.461 1.00 0.00 C ATOM 287 C PRO A 17 -4.163 5.906 -16.578 1.00 0.00 C ATOM 288 O PRO A 17 -3.745 5.239 -17.504 1.00 0.00 O ATOM 289 CB PRO A 17 -6.449 5.080 -15.917 1.00 0.00 C ATOM 290 CG PRO A 17 -7.230 6.210 -15.329 1.00 0.00 C ATOM 291 CD PRO A 17 -6.466 6.707 -14.101 1.00 0.00 C ATOM 0 HA PRO A 17 -4.500 4.340 -15.220 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.518 5.084 -17.005 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.837 4.120 -15.576 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.350 7.013 -16.057 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.231 5.880 -15.050 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.453 7.796 -14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.926 6.355 -13.178 1.00 0.00 H new ATOM 299 N ASP A 18 -3.920 7.186 -16.504 1.00 0.00 N ATOM 300 CA ASP A 18 -3.119 7.857 -17.563 1.00 0.00 C ATOM 301 C ASP A 18 -1.652 7.959 -17.133 1.00 0.00 C ATOM 302 O ASP A 18 -0.863 8.629 -17.769 1.00 0.00 O ATOM 303 CB ASP A 18 -3.679 9.255 -17.798 1.00 0.00 C ATOM 304 CG ASP A 18 -5.068 9.151 -18.429 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.428 8.064 -18.848 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.749 10.162 -18.485 1.00 0.00 O ATOM 0 H ASP A 18 -4.243 7.796 -15.753 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.176 7.273 -18.482 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.737 9.798 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.013 9.820 -18.451 1.00 0.00 H new ATOM 311 N VAL A 19 -1.280 7.308 -16.063 1.00 0.00 N ATOM 312 CA VAL A 19 0.138 7.378 -15.598 1.00 0.00 C ATOM 313 C VAL A 19 0.790 5.998 -15.710 1.00 0.00 C ATOM 314 O VAL A 19 0.214 4.995 -15.337 1.00 0.00 O ATOM 315 CB VAL A 19 0.177 7.836 -14.140 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.631 8.001 -13.693 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.550 9.177 -14.010 1.00 0.00 C ATOM 0 H VAL A 19 -1.896 6.731 -15.490 1.00 0.00 H new ATOM 0 HA VAL A 19 0.682 8.088 -16.221 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.313 7.091 -13.512 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.657 8.328 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.151 7.048 -13.787 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.122 8.746 -14.320 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.524 9.506 -12.971 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.058 9.920 -14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.586 9.061 -14.328 1.00 0.00 H new ATOM 327 N ALA A 20 1.990 5.942 -16.219 1.00 0.00 N ATOM 328 CA ALA A 20 2.686 4.631 -16.352 1.00 0.00 C ATOM 329 C ALA A 20 3.168 4.173 -14.964 1.00 0.00 C ATOM 330 O ALA A 20 3.970 4.844 -14.344 1.00 0.00 O ATOM 331 CB ALA A 20 3.896 4.800 -17.272 1.00 0.00 C ATOM 0 H ALA A 20 2.519 6.749 -16.549 1.00 0.00 H new ATOM 0 HA ALA A 20 2.004 3.890 -16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.411 3.845 -17.375 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.563 5.140 -18.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.578 5.536 -16.845 1.00 0.00 H new ATOM 337 N PRO A 21 2.704 3.045 -14.468 1.00 0.00 N ATOM 338 CA PRO A 21 3.135 2.538 -13.132 1.00 0.00 C ATOM 339 C PRO A 21 4.659 2.501 -12.997 1.00 0.00 C ATOM 340 O PRO A 21 5.206 2.782 -11.949 1.00 0.00 O ATOM 341 CB PRO A 21 2.572 1.116 -13.068 1.00 0.00 C ATOM 342 CG PRO A 21 1.449 1.074 -14.050 1.00 0.00 C ATOM 343 CD PRO A 21 1.727 2.144 -15.105 1.00 0.00 C ATOM 0 HA PRO A 21 2.779 3.182 -12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.337 0.382 -13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.221 0.880 -12.063 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.379 0.089 -14.511 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.497 1.262 -13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.128 1.706 -16.019 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.816 2.676 -15.380 1.00 0.00 H new ATOM 351 N ALA A 22 5.348 2.168 -14.052 1.00 0.00 N ATOM 352 CA ALA A 22 6.834 2.126 -13.985 1.00 0.00 C ATOM 353 C ALA A 22 7.362 3.546 -13.782 1.00 0.00 C ATOM 354 O ALA A 22 8.457 3.753 -13.299 1.00 0.00 O ATOM 355 CB ALA A 22 7.392 1.552 -15.288 1.00 0.00 C ATOM 0 H ALA A 22 4.946 1.923 -14.957 1.00 0.00 H new ATOM 0 HA ALA A 22 7.147 1.494 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.480 1.523 -15.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.008 0.542 -15.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.086 2.181 -16.123 1.00 0.00 H new ATOM 361 N ASP A 23 6.587 4.527 -14.155 1.00 0.00 N ATOM 362 CA ASP A 23 7.036 5.937 -13.994 1.00 0.00 C ATOM 363 C ASP A 23 6.651 6.450 -12.605 1.00 0.00 C ATOM 364 O ASP A 23 6.805 7.617 -12.304 1.00 0.00 O ATOM 365 CB ASP A 23 6.371 6.808 -15.063 1.00 0.00 C ATOM 366 CG ASP A 23 6.905 6.419 -16.443 1.00 0.00 C ATOM 367 OD1 ASP A 23 7.862 5.665 -16.495 1.00 0.00 O ATOM 368 OD2 ASP A 23 6.350 6.884 -17.424 1.00 0.00 O ATOM 0 H ASP A 23 5.660 4.412 -14.565 1.00 0.00 H new ATOM 0 HA ASP A 23 8.119 5.984 -14.105 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.289 6.680 -15.031 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.573 7.861 -14.867 1.00 0.00 H new ATOM 373 N VAL A 24 6.151 5.592 -11.755 1.00 0.00 N ATOM 374 CA VAL A 24 5.761 6.043 -10.387 1.00 0.00 C ATOM 375 C VAL A 24 6.771 5.517 -9.373 1.00 0.00 C ATOM 376 O VAL A 24 7.062 4.338 -9.330 1.00 0.00 O ATOM 377 CB VAL A 24 4.384 5.483 -10.034 1.00 0.00 C ATOM 378 CG1 VAL A 24 3.854 6.184 -8.783 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.420 5.713 -11.201 1.00 0.00 C ATOM 0 H VAL A 24 5.996 4.602 -11.948 1.00 0.00 H new ATOM 0 HA VAL A 24 5.737 7.133 -10.365 1.00 0.00 H new ATOM 0 HB VAL A 24 4.466 4.413 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.872 5.785 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.539 6.013 -7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.773 7.254 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.439 5.313 -10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.336 6.782 -11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.798 5.209 -12.090 1.00 0.00 H new ATOM 389 N ASP A 25 7.301 6.372 -8.546 1.00 0.00 N ATOM 390 CA ASP A 25 8.277 5.898 -7.532 1.00 0.00 C ATOM 391 C ASP A 25 7.527 5.502 -6.260 1.00 0.00 C ATOM 392 O ASP A 25 6.858 6.311 -5.649 1.00 0.00 O ATOM 393 CB ASP A 25 9.262 7.023 -7.209 1.00 0.00 C ATOM 394 CG ASP A 25 10.103 7.339 -8.446 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.080 6.544 -9.372 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.756 8.370 -8.448 1.00 0.00 O ATOM 0 H ASP A 25 7.102 7.372 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 25 8.822 5.038 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.721 7.913 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.909 6.728 -6.383 1.00 0.00 H new ATOM 401 N VAL A 26 7.639 4.272 -5.847 1.00 0.00 N ATOM 402 CA VAL A 26 6.939 3.847 -4.606 1.00 0.00 C ATOM 403 C VAL A 26 7.745 4.326 -3.399 1.00 0.00 C ATOM 404 O VAL A 26 7.400 4.060 -2.267 1.00 0.00 O ATOM 405 CB VAL A 26 6.836 2.323 -4.584 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.145 1.835 -5.858 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.241 1.719 -4.503 1.00 0.00 C ATOM 0 H VAL A 26 8.183 3.546 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 26 5.937 4.276 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 26 6.254 2.013 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.073 0.748 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.145 2.264 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.724 2.145 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.169 0.631 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.822 2.032 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.733 2.063 -3.593 1.00 0.00 H new ATOM 417 N ASP A 27 8.809 5.045 -3.638 1.00 0.00 N ATOM 418 CA ASP A 27 9.637 5.559 -2.516 1.00 0.00 C ATOM 419 C ASP A 27 9.019 6.854 -1.992 1.00 0.00 C ATOM 420 O ASP A 27 9.285 7.281 -0.886 1.00 0.00 O ATOM 421 CB ASP A 27 11.054 5.833 -3.020 1.00 0.00 C ATOM 422 CG ASP A 27 11.726 4.512 -3.399 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.190 3.474 -3.047 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.765 4.561 -4.036 1.00 0.00 O ATOM 0 H ASP A 27 9.140 5.298 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 27 9.675 4.822 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.022 6.498 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.634 6.340 -2.249 1.00 0.00 H new ATOM 429 N LEU A 28 8.193 7.480 -2.783 1.00 0.00 N ATOM 430 CA LEU A 28 7.549 8.745 -2.343 1.00 0.00 C ATOM 431 C LEU A 28 6.248 8.415 -1.620 1.00 0.00 C ATOM 432 O LEU A 28 5.500 7.552 -2.033 1.00 0.00 O ATOM 433 CB LEU A 28 7.251 9.617 -3.564 1.00 0.00 C ATOM 434 CG LEU A 28 6.664 10.957 -3.112 1.00 0.00 C ATOM 435 CD1 LEU A 28 7.733 11.770 -2.377 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.185 11.739 -4.336 1.00 0.00 C ATOM 0 H LEU A 28 7.936 7.167 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 28 8.216 9.285 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.164 9.784 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.550 9.107 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 28 5.825 10.775 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.310 12.722 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.076 11.215 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.575 11.953 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.767 12.694 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.026 11.917 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.420 11.164 -4.859 1.00 0.00 H new ATOM 448 N ASP A 29 5.973 9.081 -0.536 1.00 0.00 N ATOM 449 CA ASP A 29 4.724 8.784 0.209 1.00 0.00 C ATOM 450 C ASP A 29 3.521 8.996 -0.707 1.00 0.00 C ATOM 451 O ASP A 29 3.449 9.949 -1.458 1.00 0.00 O ATOM 452 CB ASP A 29 4.617 9.707 1.426 1.00 0.00 C ATOM 453 CG ASP A 29 5.726 9.369 2.423 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.348 8.332 2.258 1.00 0.00 O ATOM 455 OD2 ASP A 29 5.935 10.153 3.334 1.00 0.00 O ATOM 0 H ASP A 29 6.557 9.815 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 29 4.742 7.748 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.699 10.748 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.641 9.592 1.898 1.00 0.00 H new ATOM 460 N LEU A 30 2.586 8.096 -0.653 1.00 0.00 N ATOM 461 CA LEU A 30 1.380 8.196 -1.514 1.00 0.00 C ATOM 462 C LEU A 30 0.542 9.411 -1.108 1.00 0.00 C ATOM 463 O LEU A 30 -0.036 10.083 -1.937 1.00 0.00 O ATOM 464 CB LEU A 30 0.548 6.928 -1.329 1.00 0.00 C ATOM 465 CG LEU A 30 -0.253 6.649 -2.598 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.991 5.319 -2.444 1.00 0.00 C ATOM 467 CD2 LEU A 30 -1.262 7.774 -2.823 1.00 0.00 C ATOM 0 H LEU A 30 2.606 7.282 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 30 1.682 8.308 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.200 6.083 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.126 7.044 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 30 0.421 6.595 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.565 5.115 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.269 4.518 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.666 5.374 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.834 7.574 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.940 7.830 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.733 8.721 -2.929 1.00 0.00 H new ATOM 479 N VAL A 31 0.454 9.686 0.161 1.00 0.00 N ATOM 480 CA VAL A 31 -0.367 10.844 0.616 1.00 0.00 C ATOM 481 C VAL A 31 0.197 12.149 0.059 1.00 0.00 C ATOM 482 O VAL A 31 -0.538 13.066 -0.254 1.00 0.00 O ATOM 483 CB VAL A 31 -0.379 10.904 2.137 1.00 0.00 C ATOM 484 CG1 VAL A 31 -1.073 12.192 2.576 1.00 0.00 C ATOM 485 CG2 VAL A 31 -1.143 9.697 2.678 1.00 0.00 C ATOM 0 H VAL A 31 0.914 9.160 0.904 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.385 10.713 0.249 1.00 0.00 H new ATOM 0 HB VAL A 31 0.641 10.889 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.087 12.245 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.532 13.051 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.096 12.201 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.156 9.733 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.166 9.716 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.653 8.780 2.351 1.00 0.00 H new ATOM 495 N ASP A 32 1.488 12.251 -0.071 1.00 0.00 N ATOM 496 CA ASP A 32 2.068 13.509 -0.611 1.00 0.00 C ATOM 497 C ASP A 32 1.367 13.827 -1.929 1.00 0.00 C ATOM 498 O ASP A 32 1.149 14.971 -2.275 1.00 0.00 O ATOM 499 CB ASP A 32 3.567 13.324 -0.855 1.00 0.00 C ATOM 500 CG ASP A 32 4.288 13.177 0.485 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.663 13.425 1.503 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.455 12.818 0.472 1.00 0.00 O ATOM 0 H ASP A 32 2.162 11.525 0.171 1.00 0.00 H new ATOM 0 HA ASP A 32 1.928 14.325 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.740 12.442 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.965 14.178 -1.402 1.00 0.00 H new ATOM 507 N ASN A 33 1.005 12.811 -2.660 1.00 0.00 N ATOM 508 CA ASN A 33 0.304 13.027 -3.953 1.00 0.00 C ATOM 509 C ASN A 33 -1.119 13.528 -3.698 1.00 0.00 C ATOM 510 O ASN A 33 -1.657 14.312 -4.454 1.00 0.00 O ATOM 511 CB ASN A 33 0.235 11.700 -4.701 1.00 0.00 C ATOM 512 CG ASN A 33 1.639 11.288 -5.149 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.542 12.099 -5.179 1.00 0.00 O ATOM 514 ND2 ASN A 33 1.861 10.051 -5.500 1.00 0.00 N ATOM 0 H ASN A 33 1.166 11.834 -2.415 1.00 0.00 H new ATOM 0 HA ASN A 33 0.846 13.768 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.193 10.931 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.421 11.793 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.793 9.765 -5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.102 9.370 -5.475 1.00 0.00 H new ATOM 521 N GLY A 34 -1.737 13.072 -2.643 1.00 0.00 N ATOM 522 CA GLY A 34 -3.129 13.511 -2.345 1.00 0.00 C ATOM 523 C GLY A 34 -4.107 12.626 -3.116 1.00 0.00 C ATOM 524 O GLY A 34 -5.299 12.857 -3.126 1.00 0.00 O ATOM 0 H GLY A 34 -1.337 12.414 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.324 13.443 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.263 14.555 -2.628 1.00 0.00 H new ATOM 528 N VAL A 35 -3.606 11.608 -3.759 1.00 0.00 N ATOM 529 CA VAL A 35 -4.498 10.697 -4.527 1.00 0.00 C ATOM 530 C VAL A 35 -5.490 10.044 -3.568 1.00 0.00 C ATOM 531 O VAL A 35 -6.627 9.786 -3.914 1.00 0.00 O ATOM 532 CB VAL A 35 -3.659 9.617 -5.212 1.00 0.00 C ATOM 533 CG1 VAL A 35 -4.584 8.581 -5.851 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.789 10.259 -6.295 1.00 0.00 C ATOM 0 H VAL A 35 -2.615 11.368 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.039 11.264 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.022 9.129 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.986 7.811 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.205 8.124 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.221 9.068 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.190 9.490 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.427 10.746 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.129 10.998 -5.841 1.00 0.00 H new ATOM 544 N ILE A 36 -5.070 9.770 -2.364 1.00 0.00 N ATOM 545 CA ILE A 36 -5.991 9.130 -1.384 1.00 0.00 C ATOM 546 C ILE A 36 -6.860 10.196 -0.721 1.00 0.00 C ATOM 547 O ILE A 36 -6.382 11.044 0.006 1.00 0.00 O ATOM 548 CB ILE A 36 -5.173 8.406 -0.316 1.00 0.00 C ATOM 549 CG1 ILE A 36 -4.330 7.316 -0.974 1.00 0.00 C ATOM 550 CG2 ILE A 36 -6.110 7.760 0.698 1.00 0.00 C ATOM 551 CD1 ILE A 36 -3.367 6.711 0.053 1.00 0.00 C ATOM 0 H ILE A 36 -4.130 9.961 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.630 8.416 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.526 9.124 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.977 6.539 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.769 7.733 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.523 7.244 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.721 8.529 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.757 7.044 0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.769 5.934 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.710 7.490 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.937 6.278 0.875 1.00 0.00 H new ATOM 563 N ASP A 37 -8.138 10.147 -0.966 1.00 0.00 N ATOM 564 CA ASP A 37 -9.067 11.135 -0.362 1.00 0.00 C ATOM 565 C ASP A 37 -10.074 10.395 0.520 1.00 0.00 C ATOM 566 O ASP A 37 -9.835 9.284 0.952 1.00 0.00 O ATOM 567 CB ASP A 37 -9.806 11.865 -1.481 1.00 0.00 C ATOM 568 CG ASP A 37 -8.827 12.758 -2.245 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.719 12.934 -1.766 1.00 0.00 O ATOM 570 OD2 ASP A 37 -9.203 13.253 -3.295 1.00 0.00 O ATOM 0 H ASP A 37 -8.583 9.454 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.513 11.854 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.262 11.144 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.614 12.467 -1.065 1.00 0.00 H new ATOM 575 N ALA A 38 -11.202 10.992 0.787 1.00 0.00 N ATOM 576 CA ALA A 38 -12.219 10.309 1.635 1.00 0.00 C ATOM 577 C ALA A 38 -12.711 9.067 0.896 1.00 0.00 C ATOM 578 O ALA A 38 -12.652 7.962 1.400 1.00 0.00 O ATOM 579 CB ALA A 38 -13.395 11.254 1.891 1.00 0.00 C ATOM 0 H ALA A 38 -11.463 11.921 0.456 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.779 10.026 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.137 10.752 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.039 12.148 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.848 11.537 0.941 1.00 0.00 H new ATOM 585 N LEU A 39 -13.165 9.238 -0.312 1.00 0.00 N ATOM 586 CA LEU A 39 -13.624 8.076 -1.106 1.00 0.00 C ATOM 587 C LEU A 39 -12.397 7.243 -1.440 1.00 0.00 C ATOM 588 O LEU A 39 -12.450 6.033 -1.537 1.00 0.00 O ATOM 589 CB LEU A 39 -14.287 8.561 -2.396 1.00 0.00 C ATOM 590 CG LEU A 39 -15.679 9.141 -2.099 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.684 8.003 -1.912 1.00 0.00 C ATOM 592 CD2 LEU A 39 -15.643 10.001 -0.830 1.00 0.00 C ATOM 0 H LEU A 39 -13.237 10.140 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.351 7.487 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.664 9.320 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.374 7.734 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.982 9.764 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.669 8.419 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.729 7.404 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.370 7.374 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.637 10.404 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.327 9.389 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.939 10.822 -0.967 1.00 0.00 H new ATOM 604 N GLY A 40 -11.281 7.898 -1.610 1.00 0.00 N ATOM 605 CA GLY A 40 -10.029 7.171 -1.930 1.00 0.00 C ATOM 606 C GLY A 40 -9.734 6.172 -0.815 1.00 0.00 C ATOM 607 O GLY A 40 -9.425 5.023 -1.060 1.00 0.00 O ATOM 0 H GLY A 40 -11.187 8.911 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.128 6.652 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.202 7.874 -2.034 1.00 0.00 H new ATOM 611 N LEU A 41 -9.845 6.599 0.411 1.00 0.00 N ATOM 612 CA LEU A 41 -9.594 5.676 1.545 1.00 0.00 C ATOM 613 C LEU A 41 -10.645 4.569 1.519 1.00 0.00 C ATOM 614 O LEU A 41 -10.359 3.415 1.774 1.00 0.00 O ATOM 615 CB LEU A 41 -9.688 6.460 2.854 1.00 0.00 C ATOM 616 CG LEU A 41 -9.328 5.551 4.028 1.00 0.00 C ATOM 617 CD1 LEU A 41 -8.535 6.355 5.060 1.00 0.00 C ATOM 618 CD2 LEU A 41 -10.609 5.020 4.676 1.00 0.00 C ATOM 0 H LEU A 41 -10.100 7.551 0.675 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.601 5.233 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.014 7.316 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.697 6.853 2.982 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.728 4.714 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.275 5.712 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.624 6.738 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.141 7.189 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.351 4.372 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.208 5.856 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.181 4.453 3.941 1.00 0.00 H new ATOM 630 N LEU A 42 -11.862 4.911 1.202 1.00 0.00 N ATOM 631 CA LEU A 42 -12.930 3.876 1.149 1.00 0.00 C ATOM 632 C LEU A 42 -12.541 2.820 0.117 1.00 0.00 C ATOM 633 O LEU A 42 -12.640 1.633 0.354 1.00 0.00 O ATOM 634 CB LEU A 42 -14.243 4.542 0.724 1.00 0.00 C ATOM 635 CG LEU A 42 -15.359 3.498 0.640 1.00 0.00 C ATOM 636 CD1 LEU A 42 -16.171 3.507 1.936 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.270 3.826 -0.544 1.00 0.00 C ATOM 0 H LEU A 42 -12.162 5.860 0.978 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.053 3.409 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.514 5.319 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.116 5.029 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.923 2.509 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.965 2.763 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.518 3.271 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.610 4.494 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.066 3.084 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.706 4.815 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.688 3.813 -1.466 1.00 0.00 H new ATOM 649 N LYS A 43 -12.099 3.249 -1.026 1.00 0.00 N ATOM 650 CA LYS A 43 -11.701 2.283 -2.079 1.00 0.00 C ATOM 651 C LYS A 43 -10.566 1.398 -1.559 1.00 0.00 C ATOM 652 O LYS A 43 -10.484 0.228 -1.873 1.00 0.00 O ATOM 653 CB LYS A 43 -11.228 3.045 -3.316 1.00 0.00 C ATOM 654 CG LYS A 43 -12.404 3.793 -3.943 1.00 0.00 C ATOM 655 CD LYS A 43 -11.949 4.458 -5.245 1.00 0.00 C ATOM 656 CE LYS A 43 -13.092 5.300 -5.815 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.618 6.207 -4.756 1.00 0.00 N ATOM 0 H LYS A 43 -11.996 4.232 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.556 1.659 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.442 3.749 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.798 2.352 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.224 3.103 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.782 4.545 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.078 5.086 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.647 3.699 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.739 5.883 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.888 4.651 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.092 7.020 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.299 5.690 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.831 6.545 -4.166 1.00 0.00 H new ATOM 671 N VAL A 44 -9.688 1.952 -0.765 1.00 0.00 N ATOM 672 CA VAL A 44 -8.559 1.144 -0.227 1.00 0.00 C ATOM 673 C VAL A 44 -9.109 -0.021 0.593 1.00 0.00 C ATOM 674 O VAL A 44 -8.690 -1.151 0.449 1.00 0.00 O ATOM 675 CB VAL A 44 -7.681 2.025 0.664 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.647 1.156 1.381 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.959 3.063 -0.199 1.00 0.00 C ATOM 0 H VAL A 44 -9.705 2.927 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.965 0.756 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.305 2.532 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.022 1.784 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.158 0.414 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.023 0.650 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.333 3.691 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.336 2.555 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.693 3.683 -0.713 1.00 0.00 H new ATOM 687 N ILE A 45 -10.047 0.249 1.454 1.00 0.00 N ATOM 688 CA ILE A 45 -10.632 -0.831 2.291 1.00 0.00 C ATOM 689 C ILE A 45 -11.447 -1.806 1.431 1.00 0.00 C ATOM 690 O ILE A 45 -11.525 -2.980 1.728 1.00 0.00 O ATOM 691 CB ILE A 45 -11.541 -0.207 3.348 1.00 0.00 C ATOM 692 CG1 ILE A 45 -10.710 0.158 4.581 1.00 0.00 C ATOM 693 CG2 ILE A 45 -12.627 -1.204 3.740 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.681 1.226 4.207 1.00 0.00 C ATOM 0 H ILE A 45 -10.436 1.178 1.615 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.822 -1.383 2.768 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.006 0.692 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.360 0.527 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.206 -0.728 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -13.275 -0.758 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.218 -1.463 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.165 -2.104 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.090 1.485 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.023 0.841 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.195 2.114 3.841 1.00 0.00 H new ATOM 706 N ALA A 46 -12.080 -1.329 0.391 1.00 0.00 N ATOM 707 CA ALA A 46 -12.917 -2.234 -0.456 1.00 0.00 C ATOM 708 C ALA A 46 -12.055 -3.261 -1.202 1.00 0.00 C ATOM 709 O ALA A 46 -12.340 -4.444 -1.194 1.00 0.00 O ATOM 710 CB ALA A 46 -13.689 -1.394 -1.475 1.00 0.00 C ATOM 0 H ALA A 46 -12.055 -0.354 0.091 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.603 -2.774 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.301 -2.048 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.331 -0.686 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.986 -0.849 -2.105 1.00 0.00 H new ATOM 716 N TRP A 47 -11.011 -2.835 -1.855 1.00 0.00 N ATOM 717 CA TRP A 47 -10.165 -3.818 -2.596 1.00 0.00 C ATOM 718 C TRP A 47 -9.213 -4.511 -1.625 1.00 0.00 C ATOM 719 O TRP A 47 -8.987 -5.702 -1.704 1.00 0.00 O ATOM 720 CB TRP A 47 -9.360 -3.099 -3.681 1.00 0.00 C ATOM 721 CG TRP A 47 -7.901 -3.366 -3.480 1.00 0.00 C ATOM 722 CD1 TRP A 47 -7.291 -4.561 -3.652 1.00 0.00 C ATOM 723 CD2 TRP A 47 -6.865 -2.434 -3.075 1.00 0.00 C ATOM 724 NE1 TRP A 47 -5.944 -4.417 -3.364 1.00 0.00 N ATOM 725 CE2 TRP A 47 -5.633 -3.121 -3.004 1.00 0.00 C ATOM 726 CE3 TRP A 47 -6.883 -1.070 -2.765 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -4.456 -2.471 -2.634 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -5.701 -0.407 -2.391 1.00 0.00 C ATOM 729 CH2 TRP A 47 -4.489 -1.109 -2.325 1.00 0.00 C ATOM 0 H TRP A 47 -10.707 -1.863 -1.910 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.809 -4.562 -3.064 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.671 -3.443 -4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.553 -2.027 -3.642 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.774 -5.476 -3.962 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.264 -5.176 -3.412 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.812 -0.522 -2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.525 -3.017 -2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.727 0.646 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.583 -0.598 -2.036 1.00 0.00 H new ATOM 740 N LEU A 48 -8.645 -3.773 -0.718 1.00 0.00 N ATOM 741 CA LEU A 48 -7.695 -4.383 0.250 1.00 0.00 C ATOM 742 C LEU A 48 -8.401 -5.480 1.053 1.00 0.00 C ATOM 743 O LEU A 48 -7.846 -6.533 1.297 1.00 0.00 O ATOM 744 CB LEU A 48 -7.183 -3.294 1.198 1.00 0.00 C ATOM 745 CG LEU A 48 -6.060 -3.845 2.083 1.00 0.00 C ATOM 746 CD1 LEU A 48 -5.015 -2.750 2.317 1.00 0.00 C ATOM 747 CD2 LEU A 48 -6.631 -4.287 3.435 1.00 0.00 C ATOM 0 H LEU A 48 -8.797 -2.771 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.857 -4.826 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.818 -2.444 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.001 -2.930 1.820 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.600 -4.699 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.215 -3.139 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.602 -2.431 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.484 -1.899 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.827 -4.678 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.094 -3.434 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.379 -5.064 3.278 1.00 0.00 H new ATOM 759 N GLU A 49 -9.615 -5.246 1.469 1.00 0.00 N ATOM 760 CA GLU A 49 -10.340 -6.277 2.255 1.00 0.00 C ATOM 761 C GLU A 49 -10.762 -7.422 1.332 1.00 0.00 C ATOM 762 O GLU A 49 -10.759 -8.575 1.713 1.00 0.00 O ATOM 763 CB GLU A 49 -11.571 -5.636 2.899 1.00 0.00 C ATOM 764 CG GLU A 49 -12.675 -5.480 1.865 1.00 0.00 C ATOM 765 CD GLU A 49 -13.820 -4.656 2.455 1.00 0.00 C ATOM 766 OE1 GLU A 49 -13.751 -4.339 3.630 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.746 -4.355 1.720 1.00 0.00 O ATOM 0 H GLU A 49 -10.134 -4.385 1.297 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.691 -6.677 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.921 -6.252 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.310 -4.663 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.284 -4.991 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.040 -6.460 1.558 1.00 0.00 H new ATOM 774 N ASP A 50 -11.140 -7.108 0.123 1.00 0.00 N ATOM 775 CA ASP A 50 -11.579 -8.170 -0.826 1.00 0.00 C ATOM 776 C ASP A 50 -10.463 -9.195 -1.051 1.00 0.00 C ATOM 777 O ASP A 50 -10.713 -10.377 -1.181 1.00 0.00 O ATOM 778 CB ASP A 50 -11.941 -7.524 -2.161 1.00 0.00 C ATOM 779 CG ASP A 50 -12.599 -8.563 -3.070 1.00 0.00 C ATOM 780 OD1 ASP A 50 -12.835 -9.665 -2.604 1.00 0.00 O ATOM 781 OD2 ASP A 50 -12.856 -8.239 -4.219 1.00 0.00 O ATOM 0 H ASP A 50 -11.164 -6.159 -0.249 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.443 -8.683 -0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.619 -6.686 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.046 -7.123 -2.637 1.00 0.00 H new ATOM 786 N ARG A 51 -9.238 -8.756 -1.126 1.00 0.00 N ATOM 787 CA ARG A 51 -8.118 -9.707 -1.374 1.00 0.00 C ATOM 788 C ARG A 51 -8.004 -10.743 -0.253 1.00 0.00 C ATOM 789 O ARG A 51 -7.764 -11.907 -0.510 1.00 0.00 O ATOM 790 CB ARG A 51 -6.812 -8.926 -1.481 1.00 0.00 C ATOM 791 CG ARG A 51 -6.832 -8.086 -2.756 1.00 0.00 C ATOM 792 CD ARG A 51 -5.468 -7.429 -2.962 1.00 0.00 C ATOM 793 NE ARG A 51 -5.147 -6.569 -1.789 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.912 -6.213 -1.560 1.00 0.00 C ATOM 795 NH1 ARG A 51 -2.959 -6.615 -2.355 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.631 -5.458 -0.534 1.00 0.00 N ATOM 0 H ARG A 51 -8.963 -7.779 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.319 -10.238 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.686 -8.283 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.965 -9.611 -1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.077 -8.714 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.607 -7.323 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.700 -8.193 -3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.475 -6.831 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.892 -6.258 -1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.179 -7.208 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.994 -6.337 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.376 -5.146 0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.666 -5.180 -0.355 1.00 0.00 H new ATOM 810 N PHE A 52 -8.159 -10.346 0.983 1.00 0.00 N ATOM 811 CA PHE A 52 -8.041 -11.331 2.094 1.00 0.00 C ATOM 812 C PHE A 52 -9.423 -11.654 2.661 1.00 0.00 C ATOM 813 O PHE A 52 -9.590 -12.597 3.408 1.00 0.00 O ATOM 814 CB PHE A 52 -7.144 -10.741 3.182 1.00 0.00 C ATOM 815 CG PHE A 52 -5.704 -10.860 2.746 1.00 0.00 C ATOM 816 CD1 PHE A 52 -5.199 -10.002 1.761 1.00 0.00 C ATOM 817 CD2 PHE A 52 -4.875 -11.828 3.322 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.864 -10.115 1.351 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.540 -11.941 2.914 1.00 0.00 C ATOM 820 CZ PHE A 52 -3.035 -11.084 1.929 1.00 0.00 C ATOM 0 H PHE A 52 -8.361 -9.388 1.268 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.602 -12.256 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.400 -9.696 3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.297 -11.268 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.839 -9.253 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.265 -12.489 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.475 -9.455 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.900 -12.689 3.359 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.005 -11.170 1.615 1.00 0.00 H new ATOM 830 N GLY A 53 -10.417 -10.889 2.309 1.00 0.00 N ATOM 831 CA GLY A 53 -11.783 -11.166 2.825 1.00 0.00 C ATOM 832 C GLY A 53 -11.833 -10.824 4.309 1.00 0.00 C ATOM 833 O GLY A 53 -12.564 -11.425 5.070 1.00 0.00 O ATOM 0 H GLY A 53 -10.342 -10.084 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.519 -10.576 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.038 -12.215 2.672 1.00 0.00 H new ATOM 837 N ILE A 54 -11.054 -9.866 4.731 1.00 0.00 N ATOM 838 CA ILE A 54 -11.057 -9.500 6.171 1.00 0.00 C ATOM 839 C ILE A 54 -11.960 -8.284 6.394 1.00 0.00 C ATOM 840 O ILE A 54 -11.856 -7.287 5.714 1.00 0.00 O ATOM 841 CB ILE A 54 -9.629 -9.183 6.620 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.986 -8.201 5.635 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.812 -10.476 6.663 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.580 -7.839 6.115 1.00 0.00 C ATOM 0 H ILE A 54 -10.420 -9.325 4.143 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.439 -10.335 6.757 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.651 -8.733 7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.938 -8.646 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.596 -7.301 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.794 -10.253 6.983 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.269 -11.172 7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.790 -10.926 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.124 -7.141 5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.640 -7.376 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.972 -8.742 6.174 1.00 0.00 H new ATOM 856 N ALA A 55 -12.854 -8.365 7.341 1.00 0.00 N ATOM 857 CA ALA A 55 -13.766 -7.217 7.600 1.00 0.00 C ATOM 858 C ALA A 55 -12.964 -6.037 8.149 1.00 0.00 C ATOM 859 O ALA A 55 -12.124 -6.193 9.013 1.00 0.00 O ATOM 860 CB ALA A 55 -14.829 -7.629 8.621 1.00 0.00 C ATOM 0 H ALA A 55 -12.992 -9.175 7.945 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.250 -6.924 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.497 -6.788 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.404 -8.468 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.344 -7.924 9.552 1.00 0.00 H new ATOM 866 N ALA A 56 -13.218 -4.856 7.656 1.00 0.00 N ATOM 867 CA ALA A 56 -12.474 -3.666 8.152 1.00 0.00 C ATOM 868 C ALA A 56 -12.844 -3.407 9.614 1.00 0.00 C ATOM 869 O ALA A 56 -12.047 -2.920 10.389 1.00 0.00 O ATOM 870 CB ALA A 56 -12.844 -2.445 7.308 1.00 0.00 C ATOM 0 H ALA A 56 -13.909 -4.664 6.931 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.402 -3.849 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.299 -1.573 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.581 -2.629 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.916 -2.261 7.385 1.00 0.00 H new ATOM 876 N ASP A 57 -14.050 -3.725 9.994 1.00 0.00 N ATOM 877 CA ASP A 57 -14.475 -3.493 11.403 1.00 0.00 C ATOM 878 C ASP A 57 -13.531 -4.222 12.361 1.00 0.00 C ATOM 879 O ASP A 57 -13.227 -3.739 13.434 1.00 0.00 O ATOM 880 CB ASP A 57 -15.898 -4.015 11.597 1.00 0.00 C ATOM 881 CG ASP A 57 -16.425 -3.568 12.961 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.733 -2.814 13.624 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.513 -3.989 13.320 1.00 0.00 O ATOM 0 H ASP A 57 -14.761 -4.136 9.389 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.443 -2.424 11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.545 -3.640 10.805 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.910 -5.103 11.530 1.00 0.00 H new ATOM 888 N ASP A 58 -13.071 -5.385 11.989 1.00 0.00 N ATOM 889 CA ASP A 58 -12.155 -6.144 12.886 1.00 0.00 C ATOM 890 C ASP A 58 -10.937 -5.285 13.234 1.00 0.00 C ATOM 891 O ASP A 58 -10.473 -5.279 14.357 1.00 0.00 O ATOM 892 CB ASP A 58 -11.693 -7.418 12.181 1.00 0.00 C ATOM 893 CG ASP A 58 -10.949 -8.312 13.175 1.00 0.00 C ATOM 894 OD1 ASP A 58 -10.919 -7.966 14.345 1.00 0.00 O ATOM 895 OD2 ASP A 58 -10.421 -9.326 12.750 1.00 0.00 O ATOM 0 H ASP A 58 -13.290 -5.842 11.104 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.685 -6.403 13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.551 -7.950 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.042 -7.167 11.344 1.00 0.00 H new ATOM 900 N VAL A 59 -10.419 -4.561 12.280 1.00 0.00 N ATOM 901 CA VAL A 59 -9.231 -3.699 12.552 1.00 0.00 C ATOM 902 C VAL A 59 -9.501 -2.280 12.050 1.00 0.00 C ATOM 903 O VAL A 59 -9.989 -2.084 10.955 1.00 0.00 O ATOM 904 CB VAL A 59 -8.012 -4.271 11.831 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.773 -3.451 12.193 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.804 -5.725 12.256 1.00 0.00 C ATOM 0 H VAL A 59 -10.767 -4.528 11.322 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.041 -3.673 13.625 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.174 -4.227 10.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.903 -3.859 11.678 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.921 -2.415 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.610 -3.494 13.270 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.934 -6.134 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.643 -5.770 13.333 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.687 -6.310 11.997 1.00 0.00 H new ATOM 916 N GLU A 60 -9.183 -1.288 12.834 1.00 0.00 N ATOM 917 CA GLU A 60 -9.422 0.113 12.387 1.00 0.00 C ATOM 918 C GLU A 60 -8.167 0.642 11.691 1.00 0.00 C ATOM 919 O GLU A 60 -7.069 0.523 12.197 1.00 0.00 O ATOM 920 CB GLU A 60 -9.743 0.989 13.600 1.00 0.00 C ATOM 921 CG GLU A 60 -10.127 2.388 13.132 1.00 0.00 C ATOM 922 CD GLU A 60 -10.343 3.293 14.346 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.167 2.816 15.455 1.00 0.00 O ATOM 924 OE2 GLU A 60 -10.682 4.447 14.147 1.00 0.00 O ATOM 0 H GLU A 60 -8.770 -1.386 13.761 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.262 0.137 11.693 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.559 0.549 14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.879 1.040 14.263 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.343 2.798 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.036 2.345 12.531 1.00 0.00 H new ATOM 931 N LEU A 61 -8.320 1.221 10.531 1.00 0.00 N ATOM 932 CA LEU A 61 -7.141 1.750 9.803 1.00 0.00 C ATOM 933 C LEU A 61 -7.012 3.253 10.055 1.00 0.00 C ATOM 934 O LEU A 61 -7.987 3.977 10.067 1.00 0.00 O ATOM 935 CB LEU A 61 -7.324 1.495 8.308 1.00 0.00 C ATOM 936 CG LEU A 61 -7.569 0.006 8.065 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.640 -0.261 6.561 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.422 -0.807 8.671 1.00 0.00 C ATOM 0 H LEU A 61 -9.215 1.349 10.058 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.238 1.251 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.164 2.078 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.438 1.821 7.763 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.509 -0.287 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.815 -1.323 6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.456 0.317 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.700 0.033 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.597 -1.869 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.482 -0.513 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.369 -0.619 9.743 1.00 0.00 H new ATOM 950 N SER A 62 -5.811 3.725 10.247 1.00 0.00 N ATOM 951 CA SER A 62 -5.602 5.179 10.490 1.00 0.00 C ATOM 952 C SER A 62 -4.912 5.789 9.271 1.00 0.00 C ATOM 953 O SER A 62 -4.258 5.102 8.515 1.00 0.00 O ATOM 954 CB SER A 62 -4.723 5.370 11.725 1.00 0.00 C ATOM 955 OG SER A 62 -3.695 6.305 11.430 1.00 0.00 O ATOM 0 H SER A 62 -4.961 3.162 10.246 1.00 0.00 H new ATOM 0 HA SER A 62 -6.562 5.669 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.324 5.725 12.562 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.288 4.417 12.027 1.00 0.00 H new ATOM 0 HG SER A 62 -3.130 6.431 12.221 1.00 0.00 H new ATOM 961 N PRO A 63 -5.048 7.070 9.083 1.00 0.00 N ATOM 962 CA PRO A 63 -4.425 7.776 7.933 1.00 0.00 C ATOM 963 C PRO A 63 -2.921 7.492 7.840 1.00 0.00 C ATOM 964 O PRO A 63 -2.320 7.609 6.792 1.00 0.00 O ATOM 965 CB PRO A 63 -4.675 9.266 8.216 1.00 0.00 C ATOM 966 CG PRO A 63 -5.210 9.349 9.611 1.00 0.00 C ATOM 967 CD PRO A 63 -5.806 7.984 9.940 1.00 0.00 C ATOM 0 HA PRO A 63 -4.847 7.449 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.753 9.839 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.386 9.683 7.502 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.417 9.603 10.314 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.967 10.129 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.688 7.737 10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.873 7.948 9.722 1.00 0.00 H new ATOM 975 N GLU A 64 -2.315 7.112 8.933 1.00 0.00 N ATOM 976 CA GLU A 64 -0.861 6.810 8.920 1.00 0.00 C ATOM 977 C GLU A 64 -0.616 5.518 8.147 1.00 0.00 C ATOM 978 O GLU A 64 0.435 5.314 7.580 1.00 0.00 O ATOM 979 CB GLU A 64 -0.364 6.654 10.354 1.00 0.00 C ATOM 980 CG GLU A 64 -0.494 7.984 11.089 1.00 0.00 C ATOM 981 CD GLU A 64 0.069 7.845 12.504 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.367 6.728 12.896 1.00 0.00 O ATOM 983 OE2 GLU A 64 0.194 8.857 13.173 1.00 0.00 O ATOM 0 H GLU A 64 -2.771 6.998 9.838 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.322 7.625 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.941 5.885 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.676 6.326 10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.042 8.764 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.540 8.287 11.131 1.00 0.00 H new ATOM 990 N HIS A 65 -1.581 4.643 8.120 1.00 0.00 N ATOM 991 CA HIS A 65 -1.400 3.364 7.385 1.00 0.00 C ATOM 992 C HIS A 65 -1.267 3.663 5.897 1.00 0.00 C ATOM 993 O HIS A 65 -0.766 2.866 5.130 1.00 0.00 O ATOM 994 CB HIS A 65 -2.618 2.469 7.621 1.00 0.00 C ATOM 995 CG HIS A 65 -2.844 1.569 6.435 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.710 0.190 6.516 1.00 0.00 N ATOM 997 CD2 HIS A 65 -3.227 1.833 5.142 1.00 0.00 C ATOM 998 CE1 HIS A 65 -3.009 -0.318 5.305 1.00 0.00 C ATOM 999 NE2 HIS A 65 -3.329 0.641 4.436 1.00 0.00 N ATOM 0 H HIS A 65 -2.486 4.759 8.575 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.504 2.855 7.739 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.468 1.869 8.518 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.501 3.084 7.793 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.435 -0.342 7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.419 2.816 4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.992 -1.371 5.067 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.713 4.813 5.487 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.616 5.179 4.053 1.00 0.00 C ATOM 1010 C PHE A 66 -0.388 6.065 3.857 1.00 0.00 C ATOM 1011 O PHE A 66 -0.239 6.734 2.853 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.876 5.938 3.636 1.00 0.00 C ATOM 1013 CG PHE A 66 -4.100 5.192 4.118 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.426 5.183 5.480 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.910 4.508 3.203 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.559 4.494 5.927 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -6.045 3.820 3.650 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.367 3.814 5.012 1.00 0.00 C ATOM 0 H PHE A 66 -2.142 5.518 6.087 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.524 4.282 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.862 6.944 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.906 6.045 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.802 5.709 6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.659 4.511 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.809 4.488 6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.671 3.295 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.242 3.283 5.357 1.00 0.00 H new ATOM 1028 N ARG A 67 0.487 6.069 4.819 1.00 0.00 N ATOM 1029 CA ARG A 67 1.713 6.901 4.726 1.00 0.00 C ATOM 1030 C ARG A 67 2.406 6.665 3.382 1.00 0.00 C ATOM 1031 O ARG A 67 2.922 7.581 2.774 1.00 0.00 O ATOM 1032 CB ARG A 67 2.644 6.502 5.869 1.00 0.00 C ATOM 1033 CG ARG A 67 3.034 5.031 5.706 1.00 0.00 C ATOM 1034 CD ARG A 67 3.111 4.342 7.072 1.00 0.00 C ATOM 1035 NE ARG A 67 4.169 3.297 7.038 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.242 2.412 7.993 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.393 2.447 8.983 1.00 0.00 N ATOM 1038 NH2 ARG A 67 5.164 1.490 7.957 1.00 0.00 N ATOM 0 H ARG A 67 0.403 5.524 5.677 1.00 0.00 H new ATOM 0 HA ARG A 67 1.457 7.958 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.535 7.130 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.150 6.656 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.304 4.523 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.997 4.958 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.332 5.074 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.149 3.894 7.320 1.00 0.00 H new ATOM 0 HE ARG A 67 4.837 3.273 6.268 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.671 3.167 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.451 1.754 9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.827 1.462 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.222 0.797 8.703 1.00 0.00 H new ATOM 1052 N SER A 68 2.422 5.449 2.907 1.00 0.00 N ATOM 1053 CA SER A 68 3.082 5.177 1.602 1.00 0.00 C ATOM 1054 C SER A 68 2.598 3.841 1.041 1.00 0.00 C ATOM 1055 O SER A 68 2.145 2.977 1.764 1.00 0.00 O ATOM 1056 CB SER A 68 4.598 5.127 1.793 1.00 0.00 C ATOM 1057 OG SER A 68 4.937 3.973 2.553 1.00 0.00 O ATOM 0 H SER A 68 2.008 4.637 3.365 1.00 0.00 H new ATOM 0 HA SER A 68 2.828 5.974 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.098 5.099 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.942 6.027 2.303 1.00 0.00 H new ATOM 0 HG SER A 68 5.909 3.936 2.676 1.00 0.00 H new ATOM 1063 N ILE A 69 2.711 3.663 -0.245 1.00 0.00 N ATOM 1064 CA ILE A 69 2.284 2.386 -0.863 1.00 0.00 C ATOM 1065 C ILE A 69 3.067 1.252 -0.211 1.00 0.00 C ATOM 1066 O ILE A 69 2.569 0.161 -0.019 1.00 0.00 O ATOM 1067 CB ILE A 69 2.599 2.434 -2.356 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.025 3.720 -2.948 1.00 0.00 C ATOM 1069 CG2 ILE A 69 1.959 1.232 -3.044 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.148 4.742 -3.149 1.00 0.00 C ATOM 0 H ILE A 69 3.084 4.354 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 69 1.215 2.227 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 69 3.678 2.410 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.538 3.508 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.263 4.129 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.181 1.262 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.358 0.313 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.879 1.261 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.735 5.658 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.615 4.963 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.895 4.333 -3.830 1.00 0.00 H new ATOM 1082 N ARG A 70 4.298 1.514 0.130 1.00 0.00 N ATOM 1083 CA ARG A 70 5.141 0.470 0.772 1.00 0.00 C ATOM 1084 C ARG A 70 4.455 -0.019 2.048 1.00 0.00 C ATOM 1085 O ARG A 70 4.428 -1.197 2.341 1.00 0.00 O ATOM 1086 CB ARG A 70 6.483 1.097 1.153 1.00 0.00 C ATOM 1087 CG ARG A 70 7.152 1.687 -0.087 1.00 0.00 C ATOM 1088 CD ARG A 70 8.142 2.768 0.350 1.00 0.00 C ATOM 1089 NE ARG A 70 9.205 2.158 1.196 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.052 2.921 1.830 1.00 0.00 C ATOM 1091 NH1 ARG A 70 9.968 4.219 1.724 1.00 0.00 N ATOM 1092 NH2 ARG A 70 10.984 2.386 2.572 1.00 0.00 N ATOM 0 H ARG A 70 4.758 2.413 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 70 5.286 -0.364 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.331 1.876 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.131 0.345 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.669 0.906 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.402 2.111 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.587 3.243 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.622 3.548 0.907 1.00 0.00 H new ATOM 0 HE ARG A 70 9.271 1.144 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.240 4.637 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.631 4.815 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.050 1.372 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.646 2.983 3.068 1.00 0.00 H new ATOM 1106 N SER A 71 3.907 0.884 2.811 1.00 0.00 N ATOM 1107 CA SER A 71 3.227 0.485 4.072 1.00 0.00 C ATOM 1108 C SER A 71 1.927 -0.255 3.755 1.00 0.00 C ATOM 1109 O SER A 71 1.549 -1.182 4.443 1.00 0.00 O ATOM 1110 CB SER A 71 2.910 1.741 4.880 1.00 0.00 C ATOM 1111 OG SER A 71 1.847 2.446 4.252 1.00 0.00 O ATOM 0 H SER A 71 3.901 1.885 2.614 1.00 0.00 H new ATOM 0 HA SER A 71 3.880 -0.175 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.632 1.472 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.793 2.376 4.948 1.00 0.00 H new ATOM 0 HG SER A 71 2.014 2.498 3.288 1.00 0.00 H new ATOM 1117 N ILE A 72 1.236 0.148 2.725 1.00 0.00 N ATOM 1118 CA ILE A 72 -0.037 -0.529 2.377 1.00 0.00 C ATOM 1119 C ILE A 72 0.239 -1.989 2.020 1.00 0.00 C ATOM 1120 O ILE A 72 -0.379 -2.895 2.546 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.665 0.177 1.179 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.938 1.641 1.533 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.977 -0.509 0.819 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.444 2.378 0.292 1.00 0.00 C ATOM 0 H ILE A 72 1.501 0.918 2.111 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.717 -0.490 3.228 1.00 0.00 H new ATOM 0 HB ILE A 72 0.018 0.130 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.677 1.702 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.028 2.113 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.428 -0.006 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.785 -1.552 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.658 -0.460 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.639 3.421 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.690 2.328 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.364 1.911 -0.059 1.00 0.00 H new ATOM 1136 N ASP A 73 1.165 -2.226 1.134 1.00 0.00 N ATOM 1137 CA ASP A 73 1.478 -3.624 0.750 1.00 0.00 C ATOM 1138 C ASP A 73 2.011 -4.361 1.979 1.00 0.00 C ATOM 1139 O ASP A 73 1.652 -5.490 2.249 1.00 0.00 O ATOM 1140 CB ASP A 73 2.545 -3.611 -0.345 1.00 0.00 C ATOM 1141 CG ASP A 73 2.034 -2.824 -1.553 1.00 0.00 C ATOM 1142 OD1 ASP A 73 0.880 -2.427 -1.532 1.00 0.00 O ATOM 1143 OD2 ASP A 73 2.803 -2.632 -2.479 1.00 0.00 O ATOM 0 H ASP A 73 1.717 -1.510 0.661 1.00 0.00 H new ATOM 0 HA ASP A 73 0.584 -4.126 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.463 -3.160 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.789 -4.631 -0.640 1.00 0.00 H new ATOM 1148 N ALA A 74 2.864 -3.718 2.728 1.00 0.00 N ATOM 1149 CA ALA A 74 3.430 -4.355 3.949 1.00 0.00 C ATOM 1150 C ALA A 74 2.330 -4.550 4.991 1.00 0.00 C ATOM 1151 O ALA A 74 2.305 -5.530 5.707 1.00 0.00 O ATOM 1152 CB ALA A 74 4.520 -3.453 4.528 1.00 0.00 C ATOM 0 H ALA A 74 3.195 -2.771 2.544 1.00 0.00 H new ATOM 0 HA ALA A 74 3.852 -5.325 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.938 -3.915 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.309 -3.315 3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.092 -2.485 4.786 1.00 0.00 H new ATOM 1158 N PHE A 75 1.425 -3.618 5.096 1.00 0.00 N ATOM 1159 CA PHE A 75 0.337 -3.750 6.105 1.00 0.00 C ATOM 1160 C PHE A 75 -0.459 -5.033 5.849 1.00 0.00 C ATOM 1161 O PHE A 75 -0.730 -5.795 6.756 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.599 -2.547 6.003 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.649 -2.633 7.085 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.382 -2.123 8.361 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.889 -3.223 6.813 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.354 -2.203 9.365 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.861 -3.303 7.817 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.594 -2.793 9.093 1.00 0.00 C ATOM 0 H PHE A 75 1.391 -2.772 4.528 1.00 0.00 H new ATOM 0 HA PHE A 75 0.777 -3.792 7.101 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.032 -1.622 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.073 -2.524 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.425 -1.668 8.571 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.096 -3.616 5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.147 -1.810 10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.818 -3.758 7.607 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.344 -2.855 9.867 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.844 -5.273 4.626 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.628 -6.498 4.320 1.00 0.00 C ATOM 1180 C VAL A 76 -0.757 -7.744 4.502 1.00 0.00 C ATOM 1181 O VAL A 76 -1.151 -8.700 5.140 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.107 -6.420 2.874 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.758 -7.740 2.485 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.126 -5.288 2.740 1.00 0.00 C ATOM 0 H VAL A 76 -0.648 -4.672 3.826 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.479 -6.565 4.998 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.259 -6.227 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.101 -7.686 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.032 -8.547 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.608 -7.933 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.471 -5.229 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.975 -5.483 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.660 -4.344 3.021 1.00 0.00 H new ATOM 1194 N VAL A 77 0.425 -7.746 3.946 1.00 0.00 N ATOM 1195 CA VAL A 77 1.312 -8.929 4.085 1.00 0.00 C ATOM 1196 C VAL A 77 1.802 -9.044 5.530 1.00 0.00 C ATOM 1197 O VAL A 77 1.806 -10.109 6.115 1.00 0.00 O ATOM 1198 CB VAL A 77 2.507 -8.762 3.150 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.559 -9.814 3.482 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.048 -8.942 1.700 1.00 0.00 C ATOM 0 H VAL A 77 0.812 -6.976 3.401 1.00 0.00 H new ATOM 0 HA VAL A 77 0.761 -9.833 3.826 1.00 0.00 H new ATOM 0 HB VAL A 77 2.933 -7.767 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.414 -9.697 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.885 -9.690 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.132 -10.809 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.900 -8.823 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.624 -9.938 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.293 -8.193 1.462 1.00 0.00 H new ATOM 1210 N GLY A 78 2.221 -7.952 6.104 1.00 0.00 N ATOM 1211 CA GLY A 78 2.723 -7.983 7.507 1.00 0.00 C ATOM 1212 C GLY A 78 1.615 -8.450 8.455 1.00 0.00 C ATOM 1213 O GLY A 78 1.857 -9.182 9.394 1.00 0.00 O ATOM 0 H GLY A 78 2.238 -7.034 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.580 -8.653 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.068 -6.991 7.800 1.00 0.00 H new ATOM 1217 N ALA A 79 0.404 -8.023 8.226 1.00 0.00 N ATOM 1218 CA ALA A 79 -0.714 -8.430 9.125 1.00 0.00 C ATOM 1219 C ALA A 79 -0.995 -9.927 8.981 1.00 0.00 C ATOM 1220 O ALA A 79 -1.243 -10.616 9.950 1.00 0.00 O ATOM 1221 CB ALA A 79 -1.971 -7.640 8.759 1.00 0.00 C ATOM 0 H ALA A 79 0.139 -7.410 7.455 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.432 -8.222 10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.790 -7.935 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.778 -6.574 8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.242 -7.847 7.724 1.00 0.00 H new ATOM 1227 N THR A 80 -0.967 -10.438 7.782 1.00 0.00 N ATOM 1228 CA THR A 80 -1.242 -11.888 7.586 1.00 0.00 C ATOM 1229 C THR A 80 0.026 -12.691 7.848 1.00 0.00 C ATOM 1230 O THR A 80 -0.026 -13.831 8.268 1.00 0.00 O ATOM 1231 CB THR A 80 -1.715 -12.126 6.150 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.653 -11.837 5.251 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.908 -11.218 5.846 1.00 0.00 C ATOM 0 H THR A 80 -0.766 -9.915 6.930 1.00 0.00 H new ATOM 0 HA THR A 80 -2.018 -12.207 8.282 1.00 0.00 H new ATOM 0 HB THR A 80 -2.017 -13.167 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.638 -10.876 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.244 -11.389 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.721 -11.442 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.611 -10.176 5.961 1.00 0.00 H new ATOM 1241 N THR A 81 1.164 -12.109 7.597 1.00 0.00 N ATOM 1242 CA THR A 81 2.437 -12.836 7.820 1.00 0.00 C ATOM 1243 C THR A 81 3.418 -11.937 8.578 1.00 0.00 C ATOM 1244 O THR A 81 3.345 -10.729 8.497 1.00 0.00 O ATOM 1245 CB THR A 81 3.032 -13.218 6.468 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.529 -12.341 5.469 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.648 -14.657 6.126 1.00 0.00 C ATOM 0 H THR A 81 1.265 -11.157 7.246 1.00 0.00 H new ATOM 0 HA THR A 81 2.250 -13.734 8.408 1.00 0.00 H new ATOM 0 HB THR A 81 4.118 -13.137 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.623 -11.413 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.074 -14.927 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.033 -15.329 6.893 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.562 -14.743 6.080 1.00 0.00 H new