USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 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 Single : A 24 THR OG1 : rot 30:sc= 0.128 USER MOD Single : A 33 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.417 X(o=-0.42,f=0.054) USER MOD Single : A 35 ASN : amide:sc=-0.00193 X(o=-0.0019,f=-0.094) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -138:sc= 0.981 (180deg=-0.195) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.676 K(o=-0.68,f=-0.068) USER MOD Single : A 56 THR OG1 : rot 76:sc= 0.799 USER MOD Single : A 57 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.38) USER MOD Single : A 58 SER OG : rot 58:sc= 0.67 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 63 SER OG : rot 24:sc= 0.252 USER MOD Single : A 67 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.8!) USER MOD Single : A 86 THR OG1 : rot 76:sc= -0.623 USER MOD Single : A 89 SER OG : rot -96:sc= 0.124 USER MOD Single : A 90 MET CE :methyl 125:sc= -1.27 (180deg=-2.16!) USER MOD Single : A 91 HIS : no HD1:sc= -0.315 X(o=-0.32,f=0.053) USER MOD Single : A 94 CYS SG : rot 36:sc= -2.06! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.716 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 2.783 -9.087 -0.480 1.00 0.00 N ATOM 55 CA THR A 24 2.694 -10.206 0.467 1.00 0.00 C ATOM 56 C THR A 24 2.337 -11.499 -0.294 1.00 0.00 C ATOM 57 O THR A 24 1.224 -11.634 -0.820 1.00 0.00 O ATOM 58 CB THR A 24 1.639 -9.902 1.592 1.00 0.00 C ATOM 59 OG1 THR A 24 1.983 -8.652 2.226 1.00 0.00 O ATOM 60 CG2 THR A 24 1.573 -11.018 2.662 1.00 0.00 C ATOM 0 HA THR A 24 3.661 -10.340 0.952 1.00 0.00 H new ATOM 0 HB THR A 24 0.657 -9.847 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.437 -8.071 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.829 -10.757 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.296 -11.960 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.548 -11.124 3.138 1.00 0.00 H new ATOM 68 N LEU A 25 3.318 -12.418 -0.375 1.00 0.00 N ATOM 69 CA LEU A 25 3.170 -13.696 -1.084 1.00 0.00 C ATOM 70 C LEU A 25 2.568 -14.759 -0.156 1.00 0.00 C ATOM 71 O LEU A 25 3.193 -15.155 0.830 1.00 0.00 O ATOM 72 CB LEU A 25 4.540 -14.156 -1.657 1.00 0.00 C ATOM 73 CG LEU A 25 5.143 -13.234 -2.769 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.525 -13.746 -3.239 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.161 -13.092 -3.962 1.00 0.00 C ATOM 0 H LEU A 25 4.236 -12.291 0.051 1.00 0.00 H new ATOM 0 HA LEU A 25 2.484 -13.558 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.254 -14.223 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.426 -15.161 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 25 5.292 -12.245 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.915 -13.083 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.213 -13.763 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.422 -14.753 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.602 -12.447 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.964 -14.075 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.226 -12.654 -3.613 1.00 0.00 H new ATOM 87 N VAL A 26 1.330 -15.167 -0.460 1.00 0.00 N ATOM 88 CA VAL A 26 0.630 -16.252 0.239 1.00 0.00 C ATOM 89 C VAL A 26 0.851 -17.558 -0.544 1.00 0.00 C ATOM 90 O VAL A 26 0.606 -17.608 -1.751 1.00 0.00 O ATOM 91 CB VAL A 26 -0.908 -15.946 0.364 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.655 -17.051 1.161 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.160 -14.536 0.972 1.00 0.00 C ATOM 0 H VAL A 26 0.779 -14.747 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 26 1.029 -16.346 1.249 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.318 -15.947 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.714 -16.801 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.538 -18.008 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.238 -17.120 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.233 -14.357 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.716 -14.484 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.708 -13.778 0.332 1.00 0.00 H new ATOM 103 N ARG A 27 1.349 -18.587 0.148 1.00 0.00 N ATOM 104 CA ARG A 27 1.658 -19.900 -0.459 1.00 0.00 C ATOM 105 C ARG A 27 0.457 -20.863 -0.343 1.00 0.00 C ATOM 106 O ARG A 27 -0.489 -20.597 0.416 1.00 0.00 O ATOM 107 CB ARG A 27 2.922 -20.497 0.215 1.00 0.00 C ATOM 108 CG ARG A 27 2.798 -20.725 1.741 1.00 0.00 C ATOM 109 CD ARG A 27 4.123 -21.185 2.378 1.00 0.00 C ATOM 110 NE ARG A 27 5.208 -20.205 2.164 1.00 0.00 N ATOM 111 CZ ARG A 27 6.471 -20.324 2.594 1.00 0.00 C ATOM 112 NH1 ARG A 27 6.857 -21.363 3.327 1.00 0.00 N ATOM 113 NH2 ARG A 27 7.342 -19.377 2.300 1.00 0.00 N ATOM 0 H ARG A 27 1.552 -18.540 1.146 1.00 0.00 H new ATOM 0 HA ARG A 27 1.857 -19.760 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.156 -21.449 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.765 -19.831 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.471 -19.801 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.028 -21.472 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.978 -21.338 3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.414 -22.147 1.955 1.00 0.00 H new ATOM 0 HE ARG A 27 4.974 -19.361 1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.186 -22.091 3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.824 -21.433 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.050 -18.568 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.307 -19.454 2.621 1.00 0.00 H new ATOM 127 N ILE A 28 0.520 -21.997 -1.083 1.00 0.00 N ATOM 128 CA ILE A 28 -0.581 -22.991 -1.118 1.00 0.00 C ATOM 129 C ILE A 28 -0.738 -23.696 0.242 1.00 0.00 C ATOM 130 O ILE A 28 -1.858 -23.995 0.664 1.00 0.00 O ATOM 131 CB ILE A 28 -0.401 -24.050 -2.277 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.723 -24.873 -2.485 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.819 -24.979 -2.037 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.684 -25.853 -3.644 1.00 0.00 C ATOM 0 H ILE A 28 1.321 -22.246 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.495 -22.436 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.195 -23.500 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.941 -25.423 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.547 -24.177 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.902 -25.690 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.728 -24.379 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.685 -25.521 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.638 -26.375 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.501 -25.312 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.885 -26.576 -3.482 1.00 0.00 H new ATOM 146 N ALA A 29 0.405 -23.904 0.934 1.00 0.00 N ATOM 147 CA ALA A 29 0.443 -24.524 2.277 1.00 0.00 C ATOM 148 C ALA A 29 -0.374 -23.690 3.282 1.00 0.00 C ATOM 149 O ALA A 29 -1.023 -24.236 4.179 1.00 0.00 O ATOM 150 CB ALA A 29 1.900 -24.676 2.756 1.00 0.00 C ATOM 0 H ALA A 29 1.325 -23.647 0.577 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.005 -25.516 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.912 -25.133 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.449 -25.308 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.371 -23.694 2.805 1.00 0.00 H new ATOM 156 N ASP A 30 -0.371 -22.360 3.086 1.00 0.00 N ATOM 157 CA ASP A 30 -1.132 -21.430 3.935 1.00 0.00 C ATOM 158 C ASP A 30 -2.645 -21.559 3.643 1.00 0.00 C ATOM 159 O ASP A 30 -3.453 -21.635 4.573 1.00 0.00 O ATOM 160 CB ASP A 30 -0.662 -19.971 3.715 1.00 0.00 C ATOM 161 CG ASP A 30 -1.256 -19.009 4.761 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.829 -19.066 5.933 1.00 0.00 O ATOM 163 OD2 ASP A 30 -2.121 -18.176 4.422 1.00 0.00 O ATOM 0 H ASP A 30 0.155 -21.903 2.341 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.951 -21.690 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.426 -19.930 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.951 -19.644 2.716 1.00 0.00 H new ATOM 168 N LEU A 31 -2.991 -21.619 2.337 1.00 0.00 N ATOM 169 CA LEU A 31 -4.394 -21.731 1.855 1.00 0.00 C ATOM 170 C LEU A 31 -5.106 -22.973 2.430 1.00 0.00 C ATOM 171 O LEU A 31 -6.193 -22.861 3.009 1.00 0.00 O ATOM 172 CB LEU A 31 -4.431 -21.818 0.308 1.00 0.00 C ATOM 173 CG LEU A 31 -3.816 -20.621 -0.474 1.00 0.00 C ATOM 174 CD1 LEU A 31 -3.816 -20.918 -1.986 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.555 -19.298 -0.163 1.00 0.00 C ATOM 0 H LEU A 31 -2.305 -21.591 1.582 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.915 -20.837 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.909 -22.726 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.470 -21.929 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.784 -20.495 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.384 -20.074 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.225 -21.813 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.839 -21.078 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.098 -18.485 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.603 -19.392 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.485 -19.084 0.904 1.00 0.00 H new ATOM 187 N GLU A 32 -4.463 -24.143 2.258 1.00 0.00 N ATOM 188 CA GLU A 32 -5.039 -25.456 2.601 1.00 0.00 C ATOM 189 C GLU A 32 -5.301 -25.588 4.113 1.00 0.00 C ATOM 190 O GLU A 32 -6.397 -25.973 4.535 1.00 0.00 O ATOM 191 CB GLU A 32 -4.099 -26.595 2.131 1.00 0.00 C ATOM 192 CG GLU A 32 -3.765 -26.598 0.622 1.00 0.00 C ATOM 193 CD GLU A 32 -5.007 -26.538 -0.284 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.791 -27.514 -0.298 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.205 -25.514 -0.979 1.00 0.00 O ATOM 0 H GLU A 32 -3.520 -24.204 1.873 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.996 -25.537 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.167 -26.529 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.558 -27.550 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.122 -25.747 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.197 -27.498 0.386 1.00 0.00 H new ATOM 202 N ASN A 33 -4.281 -25.241 4.910 1.00 0.00 N ATOM 203 CA ASN A 33 -4.357 -25.286 6.384 1.00 0.00 C ATOM 204 C ASN A 33 -5.420 -24.294 6.917 1.00 0.00 C ATOM 205 O ASN A 33 -6.117 -24.589 7.894 1.00 0.00 O ATOM 206 CB ASN A 33 -2.951 -25.005 6.993 1.00 0.00 C ATOM 207 CG ASN A 33 -2.009 -26.223 6.948 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.853 -26.937 7.936 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.415 -26.505 5.794 1.00 0.00 N ATOM 0 H ASN A 33 -3.380 -24.921 4.556 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.670 -26.283 6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.489 -24.178 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.069 -24.685 8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.816 -27.327 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.558 -25.899 4.986 1.00 0.00 H new ATOM 216 N HIS A 34 -5.565 -23.142 6.225 1.00 0.00 N ATOM 217 CA HIS A 34 -6.548 -22.093 6.587 1.00 0.00 C ATOM 218 C HIS A 34 -7.982 -22.541 6.229 1.00 0.00 C ATOM 219 O HIS A 34 -8.940 -22.207 6.932 1.00 0.00 O ATOM 220 CB HIS A 34 -6.199 -20.757 5.882 1.00 0.00 C ATOM 221 CG HIS A 34 -6.979 -19.576 6.396 1.00 0.00 C ATOM 222 ND1 HIS A 34 -6.623 -18.889 7.530 1.00 0.00 N ATOM 223 CD2 HIS A 34 -8.092 -18.980 5.942 1.00 0.00 C ATOM 224 CE1 HIS A 34 -7.485 -17.928 7.748 1.00 0.00 C ATOM 225 NE2 HIS A 34 -8.386 -17.952 6.792 1.00 0.00 N ATOM 0 H HIS A 34 -5.007 -22.912 5.403 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.501 -21.936 7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.134 -20.559 6.006 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.381 -20.863 4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.654 -19.262 5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.460 -17.233 8.574 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.173 -17.310 6.700 1.00 0.00 H new ATOM 234 N ASN A 35 -8.097 -23.295 5.120 1.00 0.00 N ATOM 235 CA ASN A 35 -9.365 -23.895 4.650 1.00 0.00 C ATOM 236 C ASN A 35 -9.920 -24.859 5.713 1.00 0.00 C ATOM 237 O ASN A 35 -11.124 -24.881 5.982 1.00 0.00 O ATOM 238 CB ASN A 35 -9.125 -24.631 3.300 1.00 0.00 C ATOM 239 CG ASN A 35 -10.323 -25.453 2.797 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.194 -24.942 2.095 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.372 -26.736 3.151 1.00 0.00 N ATOM 0 H ASN A 35 -7.303 -23.509 4.516 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.102 -23.108 4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.863 -23.894 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.267 -25.294 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.146 -27.322 2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.635 -27.133 3.734 1.00 0.00 H new ATOM 248 N ASN A 36 -8.997 -25.627 6.328 1.00 0.00 N ATOM 249 CA ASN A 36 -9.313 -26.639 7.352 1.00 0.00 C ATOM 250 C ASN A 36 -9.784 -25.982 8.667 1.00 0.00 C ATOM 251 O ASN A 36 -10.551 -26.584 9.425 1.00 0.00 O ATOM 252 CB ASN A 36 -8.073 -27.548 7.589 1.00 0.00 C ATOM 253 CG ASN A 36 -7.619 -28.279 6.319 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.421 -28.576 5.428 1.00 0.00 O ATOM 255 ND2 ASN A 36 -6.328 -28.579 6.228 1.00 0.00 N ATOM 0 H ASN A 36 -8.000 -25.559 6.124 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.137 -27.255 6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.250 -26.941 7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.308 -28.281 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.975 -29.068 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.690 -28.320 6.981 1.00 0.00 H new ATOM 262 N ASP A 37 -9.340 -24.729 8.910 1.00 0.00 N ATOM 263 CA ASP A 37 -9.799 -23.918 10.067 1.00 0.00 C ATOM 264 C ASP A 37 -11.267 -23.474 9.900 1.00 0.00 C ATOM 265 O ASP A 37 -11.922 -23.095 10.881 1.00 0.00 O ATOM 266 CB ASP A 37 -8.908 -22.656 10.252 1.00 0.00 C ATOM 267 CG ASP A 37 -7.450 -22.969 10.635 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.227 -23.673 11.641 1.00 0.00 O ATOM 269 OD2 ASP A 37 -6.519 -22.494 9.951 1.00 0.00 O ATOM 0 H ASP A 37 -8.660 -24.252 8.318 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.719 -24.553 10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.914 -22.081 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.348 -22.023 11.023 1.00 0.00 H new ATOM 274 N GLY A 38 -11.757 -23.497 8.652 1.00 0.00 N ATOM 275 CA GLY A 38 -13.100 -23.013 8.312 1.00 0.00 C ATOM 276 C GLY A 38 -13.048 -21.797 7.405 1.00 0.00 C ATOM 277 O GLY A 38 -14.032 -21.482 6.716 1.00 0.00 O ATOM 0 H GLY A 38 -11.233 -23.851 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.660 -23.809 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.638 -22.762 9.226 1.00 0.00 H new ATOM 281 N GLY A 39 -11.895 -21.105 7.425 1.00 0.00 N ATOM 282 CA GLY A 39 -11.668 -19.928 6.601 1.00 0.00 C ATOM 283 C GLY A 39 -11.456 -20.295 5.139 1.00 0.00 C ATOM 284 O GLY A 39 -10.335 -20.612 4.727 1.00 0.00 O ATOM 0 H GLY A 39 -11.102 -21.354 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.520 -19.254 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.796 -19.388 6.971 1.00 0.00 H new ATOM 288 N PHE A 40 -12.547 -20.302 4.362 1.00 0.00 N ATOM 289 CA PHE A 40 -12.494 -20.644 2.940 1.00 0.00 C ATOM 290 C PHE A 40 -11.965 -19.434 2.146 1.00 0.00 C ATOM 291 O PHE A 40 -12.619 -18.381 2.091 1.00 0.00 O ATOM 292 CB PHE A 40 -13.890 -21.086 2.412 1.00 0.00 C ATOM 293 CG PHE A 40 -13.826 -21.788 1.049 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.623 -23.165 0.974 1.00 0.00 C ATOM 295 CD2 PHE A 40 -13.947 -21.078 -0.143 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.543 -23.807 -0.246 1.00 0.00 C ATOM 297 CE2 PHE A 40 -13.870 -21.720 -1.363 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.667 -23.085 -1.413 1.00 0.00 C ATOM 0 H PHE A 40 -13.482 -20.073 4.700 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.817 -21.488 2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.350 -21.757 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.535 -20.211 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.527 -23.739 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.103 -20.010 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.383 -24.874 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -13.969 -21.155 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.605 -23.587 -2.367 1.00 0.00 H new ATOM 308 N TRP A 41 -10.747 -19.585 1.613 1.00 0.00 N ATOM 309 CA TRP A 41 -10.141 -18.646 0.653 1.00 0.00 C ATOM 310 C TRP A 41 -10.172 -19.264 -0.755 1.00 0.00 C ATOM 311 O TRP A 41 -10.569 -20.426 -0.932 1.00 0.00 O ATOM 312 CB TRP A 41 -8.672 -18.302 1.066 1.00 0.00 C ATOM 313 CG TRP A 41 -8.536 -17.366 2.253 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.509 -16.594 2.821 1.00 0.00 C ATOM 315 CD2 TRP A 41 -7.337 -17.090 2.985 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.991 -15.860 3.854 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.662 -16.152 3.981 1.00 0.00 C ATOM 318 CE3 TRP A 41 -6.022 -17.560 2.905 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -6.715 -15.656 4.876 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -5.086 -17.074 3.793 1.00 0.00 C ATOM 321 CH2 TRP A 41 -5.436 -16.135 4.773 1.00 0.00 C ATOM 0 H TRP A 41 -10.142 -20.375 1.838 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.715 -17.719 0.653 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.149 -19.231 1.294 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.167 -17.854 0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.540 -16.567 2.501 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.512 -15.202 4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.745 -18.291 2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.980 -14.922 5.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.066 -17.423 3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.682 -15.782 5.461 1.00 0.00 H new ATOM 332 N THR A 42 -9.763 -18.462 -1.742 1.00 0.00 N ATOM 333 CA THR A 42 -9.562 -18.909 -3.132 1.00 0.00 C ATOM 334 C THR A 42 -8.475 -18.041 -3.780 1.00 0.00 C ATOM 335 O THR A 42 -8.139 -16.974 -3.262 1.00 0.00 O ATOM 336 CB THR A 42 -10.888 -18.840 -3.975 1.00 0.00 C ATOM 337 OG1 THR A 42 -10.712 -19.508 -5.238 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.352 -17.395 -4.235 1.00 0.00 C ATOM 0 H THR A 42 -9.559 -17.473 -1.602 1.00 0.00 H new ATOM 0 HA THR A 42 -9.252 -19.954 -3.115 1.00 0.00 H new ATOM 0 HB THR A 42 -11.657 -19.338 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.545 -19.460 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.271 -17.408 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.535 -16.895 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.579 -16.858 -4.785 1.00 0.00 H new ATOM 346 N VAL A 43 -7.917 -18.517 -4.900 1.00 0.00 N ATOM 347 CA VAL A 43 -6.932 -17.765 -5.695 1.00 0.00 C ATOM 348 C VAL A 43 -7.477 -17.551 -7.103 1.00 0.00 C ATOM 349 O VAL A 43 -7.662 -18.512 -7.854 1.00 0.00 O ATOM 350 CB VAL A 43 -5.545 -18.493 -5.757 1.00 0.00 C ATOM 351 CG1 VAL A 43 -4.581 -17.796 -6.755 1.00 0.00 C ATOM 352 CG2 VAL A 43 -4.924 -18.571 -4.350 1.00 0.00 C ATOM 0 H VAL A 43 -8.135 -19.437 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.769 -16.804 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.709 -19.507 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.629 -18.327 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.020 -17.806 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.416 -16.765 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.961 -19.079 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.781 -17.564 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.589 -19.126 -3.689 1.00 0.00 H new ATOM 362 N ILE A 44 -7.750 -16.282 -7.443 1.00 0.00 N ATOM 363 CA ILE A 44 -8.221 -15.862 -8.775 1.00 0.00 C ATOM 364 C ILE A 44 -7.431 -14.599 -9.178 1.00 0.00 C ATOM 365 O ILE A 44 -7.266 -13.689 -8.357 1.00 0.00 O ATOM 366 CB ILE A 44 -9.779 -15.587 -8.788 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.566 -16.857 -8.300 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.261 -15.134 -10.193 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.076 -16.742 -8.289 1.00 0.00 C ATOM 0 H ILE A 44 -7.648 -15.505 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.047 -16.663 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.984 -14.771 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.291 -17.697 -8.938 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.233 -17.100 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.336 -14.953 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.745 -14.217 -10.476 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.041 -15.914 -10.922 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.510 -17.677 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.374 -15.930 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.433 -16.536 -9.298 1.00 0.00 H new ATOM 381 N ASP A 45 -6.922 -14.574 -10.434 1.00 0.00 N ATOM 382 CA ASP A 45 -6.044 -13.498 -10.982 1.00 0.00 C ATOM 383 C ASP A 45 -4.703 -13.433 -10.191 1.00 0.00 C ATOM 384 O ASP A 45 -4.031 -12.396 -10.117 1.00 0.00 O ATOM 385 CB ASP A 45 -6.819 -12.130 -10.993 1.00 0.00 C ATOM 386 CG ASP A 45 -6.053 -10.964 -11.643 1.00 0.00 C ATOM 387 OD1 ASP A 45 -5.817 -11.021 -12.866 1.00 0.00 O ATOM 388 OD2 ASP A 45 -5.676 -9.995 -10.932 1.00 0.00 O ATOM 0 H ASP A 45 -7.111 -15.313 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.782 -13.726 -12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.763 -12.267 -11.521 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.065 -11.858 -9.966 1.00 0.00 H new ATOM 393 N GLY A 46 -4.286 -14.612 -9.681 1.00 0.00 N ATOM 394 CA GLY A 46 -3.103 -14.737 -8.823 1.00 0.00 C ATOM 395 C GLY A 46 -3.235 -13.955 -7.519 1.00 0.00 C ATOM 396 O GLY A 46 -2.239 -13.517 -6.944 1.00 0.00 O ATOM 0 H GLY A 46 -4.763 -15.497 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.934 -15.789 -8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.226 -14.384 -9.366 1.00 0.00 H new ATOM 400 N LYS A 47 -4.489 -13.749 -7.070 1.00 0.00 N ATOM 401 CA LYS A 47 -4.803 -13.009 -5.839 1.00 0.00 C ATOM 402 C LYS A 47 -5.577 -13.923 -4.898 1.00 0.00 C ATOM 403 O LYS A 47 -6.525 -14.595 -5.316 1.00 0.00 O ATOM 404 CB LYS A 47 -5.672 -11.757 -6.128 1.00 0.00 C ATOM 405 CG LYS A 47 -5.144 -10.812 -7.213 1.00 0.00 C ATOM 406 CD LYS A 47 -3.814 -10.140 -6.835 1.00 0.00 C ATOM 407 CE LYS A 47 -3.323 -9.194 -7.936 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.218 -9.881 -9.254 1.00 0.00 N ATOM 0 H LYS A 47 -5.316 -14.095 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.863 -12.683 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.669 -12.089 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.780 -11.192 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.011 -11.371 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.890 -10.042 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.939 -9.583 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.060 -10.905 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.007 -8.350 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.350 -8.789 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.342 -9.586 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.203 -10.911 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.036 -9.627 -9.844 1.00 0.00 H new ATOM 422 N VAL A 48 -5.179 -13.925 -3.634 1.00 0.00 N ATOM 423 CA VAL A 48 -5.875 -14.656 -2.577 1.00 0.00 C ATOM 424 C VAL A 48 -7.023 -13.789 -2.048 1.00 0.00 C ATOM 425 O VAL A 48 -6.775 -12.755 -1.443 1.00 0.00 O ATOM 426 CB VAL A 48 -4.891 -15.038 -1.422 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.610 -15.773 -0.263 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.719 -15.871 -1.987 1.00 0.00 C ATOM 0 H VAL A 48 -4.358 -13.416 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.277 -15.584 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.491 -14.118 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.888 -16.018 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.385 -15.128 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.063 -16.690 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.037 -16.134 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.107 -16.781 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.185 -15.286 -2.736 1.00 0.00 H new ATOM 438 N TYR A 49 -8.264 -14.204 -2.320 1.00 0.00 N ATOM 439 CA TYR A 49 -9.476 -13.507 -1.862 1.00 0.00 C ATOM 440 C TYR A 49 -10.171 -14.314 -0.765 1.00 0.00 C ATOM 441 O TYR A 49 -10.097 -15.550 -0.743 1.00 0.00 O ATOM 442 CB TYR A 49 -10.474 -13.283 -3.024 1.00 0.00 C ATOM 443 CG TYR A 49 -9.986 -12.317 -4.118 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.971 -10.936 -3.901 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.553 -12.786 -5.361 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.543 -10.062 -4.885 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.126 -11.913 -6.341 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.122 -10.555 -6.099 1.00 0.00 C ATOM 449 OH TYR A 49 -8.696 -9.682 -7.082 1.00 0.00 O ATOM 0 H TYR A 49 -8.460 -15.041 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.164 -12.538 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.697 -14.246 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.409 -12.901 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.299 -10.545 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.552 -13.848 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.539 -8.998 -4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.795 -12.293 -7.296 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.431 -10.189 -7.878 1.00 0.00 H new ATOM 459 N ASP A 50 -10.854 -13.592 0.134 1.00 0.00 N ATOM 460 CA ASP A 50 -11.660 -14.196 1.202 1.00 0.00 C ATOM 461 C ASP A 50 -13.080 -14.448 0.670 1.00 0.00 C ATOM 462 O ASP A 50 -13.645 -13.603 -0.038 1.00 0.00 O ATOM 463 CB ASP A 50 -11.689 -13.269 2.448 1.00 0.00 C ATOM 464 CG ASP A 50 -12.062 -14.002 3.757 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.064 -14.745 3.787 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.337 -13.847 4.765 1.00 0.00 O ATOM 0 H ASP A 50 -10.863 -12.572 0.141 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.218 -15.145 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.710 -12.805 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.404 -12.465 2.275 1.00 0.00 H new ATOM 471 N ILE A 51 -13.648 -15.609 1.029 1.00 0.00 N ATOM 472 CA ILE A 51 -14.951 -16.074 0.513 1.00 0.00 C ATOM 473 C ILE A 51 -15.996 -16.187 1.638 1.00 0.00 C ATOM 474 O ILE A 51 -17.171 -15.831 1.438 1.00 0.00 O ATOM 475 CB ILE A 51 -14.775 -17.449 -0.238 1.00 0.00 C ATOM 476 CG1 ILE A 51 -13.919 -17.257 -1.530 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.123 -18.136 -0.563 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.511 -16.273 -2.537 1.00 0.00 C ATOM 0 H ILE A 51 -13.217 -16.257 1.688 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.321 -15.334 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.248 -18.118 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.925 -16.913 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.794 -18.225 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -15.936 -19.077 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.664 -18.331 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.719 -17.484 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -13.854 -16.199 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.493 -16.624 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.610 -15.292 -2.072 1.00 0.00 H new ATOM 490 N LYS A 52 -15.572 -16.683 2.819 1.00 0.00 N ATOM 491 CA LYS A 52 -16.479 -16.858 3.974 1.00 0.00 C ATOM 492 C LYS A 52 -16.915 -15.489 4.550 1.00 0.00 C ATOM 493 O LYS A 52 -18.032 -15.347 5.048 1.00 0.00 O ATOM 494 CB LYS A 52 -15.853 -17.815 5.048 1.00 0.00 C ATOM 495 CG LYS A 52 -14.365 -17.558 5.428 1.00 0.00 C ATOM 496 CD LYS A 52 -14.141 -16.375 6.402 1.00 0.00 C ATOM 497 CE LYS A 52 -14.691 -16.615 7.815 1.00 0.00 C ATOM 498 NZ LYS A 52 -14.495 -15.426 8.681 1.00 0.00 N ATOM 0 H LYS A 52 -14.609 -16.969 2.998 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.390 -17.348 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.453 -17.747 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.940 -18.839 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.957 -18.463 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.798 -17.372 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.072 -16.171 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.610 -15.483 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.753 -16.855 7.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.193 -17.477 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.877 -15.620 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.480 -15.213 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.991 -14.610 8.268 1.00 0.00 H new ATOM 512 N ASP A 53 -16.022 -14.489 4.466 1.00 0.00 N ATOM 513 CA ASP A 53 -16.338 -13.090 4.816 1.00 0.00 C ATOM 514 C ASP A 53 -17.175 -12.426 3.704 1.00 0.00 C ATOM 515 O ASP A 53 -18.077 -11.648 3.989 1.00 0.00 O ATOM 516 CB ASP A 53 -15.042 -12.280 5.065 1.00 0.00 C ATOM 517 CG ASP A 53 -15.324 -10.832 5.512 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.746 -10.641 6.674 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.122 -9.882 4.723 1.00 0.00 O ATOM 0 H ASP A 53 -15.061 -14.625 4.154 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.924 -13.097 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.445 -12.782 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.446 -12.265 4.152 1.00 0.00 H new ATOM 524 N PHE A 54 -16.848 -12.761 2.436 1.00 0.00 N ATOM 525 CA PHE A 54 -17.505 -12.197 1.227 1.00 0.00 C ATOM 526 C PHE A 54 -19.036 -12.400 1.267 1.00 0.00 C ATOM 527 O PHE A 54 -19.811 -11.461 1.054 1.00 0.00 O ATOM 528 CB PHE A 54 -16.893 -12.869 -0.037 1.00 0.00 C ATOM 529 CG PHE A 54 -17.354 -12.298 -1.378 1.00 0.00 C ATOM 530 CD1 PHE A 54 -16.675 -11.239 -1.966 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.460 -12.822 -2.047 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.084 -10.725 -3.176 1.00 0.00 C ATOM 533 CE2 PHE A 54 -18.869 -12.302 -3.260 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.180 -11.254 -3.824 1.00 0.00 C ATOM 0 H PHE A 54 -16.115 -13.436 2.217 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.327 -11.122 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.808 -12.786 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.133 -13.932 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.816 -10.814 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -19.005 -13.646 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.543 -9.903 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.729 -12.718 -3.764 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.497 -10.846 -4.773 1.00 0.00 H new ATOM 544 N GLN A 55 -19.438 -13.638 1.568 1.00 0.00 N ATOM 545 CA GLN A 55 -20.858 -14.033 1.661 1.00 0.00 C ATOM 546 C GLN A 55 -21.550 -13.404 2.895 1.00 0.00 C ATOM 547 O GLN A 55 -22.769 -13.189 2.883 1.00 0.00 O ATOM 548 CB GLN A 55 -20.975 -15.570 1.662 1.00 0.00 C ATOM 549 CG GLN A 55 -20.242 -16.268 2.818 1.00 0.00 C ATOM 550 CD GLN A 55 -20.194 -17.785 2.666 1.00 0.00 C ATOM 551 OE1 GLN A 55 -21.094 -18.489 3.110 1.00 0.00 O ATOM 552 NE2 GLN A 55 -19.144 -18.299 2.029 1.00 0.00 N ATOM 0 H GLN A 55 -18.789 -14.402 1.756 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.381 -13.648 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -22.030 -15.841 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.584 -15.951 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.224 -15.883 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.736 -16.018 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.413 -17.684 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.071 -19.308 1.898 1.00 0.00 H new ATOM 561 N THR A 56 -20.761 -13.113 3.952 1.00 0.00 N ATOM 562 CA THR A 56 -21.245 -12.370 5.138 1.00 0.00 C ATOM 563 C THR A 56 -21.590 -10.910 4.746 1.00 0.00 C ATOM 564 O THR A 56 -22.590 -10.345 5.212 1.00 0.00 O ATOM 565 CB THR A 56 -20.174 -12.383 6.284 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.783 -13.738 6.555 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.684 -11.737 7.588 1.00 0.00 C ATOM 0 H THR A 56 -19.779 -13.383 4.008 1.00 0.00 H new ATOM 0 HA THR A 56 -22.144 -12.863 5.507 1.00 0.00 H new ATOM 0 HB THR A 56 -19.326 -11.792 5.937 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.177 -14.051 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.900 -11.775 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.954 -10.698 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.559 -12.280 7.945 1.00 0.00 H new ATOM 575 N GLN A 57 -20.768 -10.321 3.853 1.00 0.00 N ATOM 576 CA GLN A 57 -20.995 -8.964 3.323 1.00 0.00 C ATOM 577 C GLN A 57 -22.118 -8.968 2.259 1.00 0.00 C ATOM 578 O GLN A 57 -22.642 -7.918 1.898 1.00 0.00 O ATOM 579 CB GLN A 57 -19.673 -8.388 2.740 1.00 0.00 C ATOM 580 CG GLN A 57 -18.434 -8.488 3.670 1.00 0.00 C ATOM 581 CD GLN A 57 -18.654 -7.963 5.094 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.453 -7.057 5.335 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.941 -8.533 6.052 1.00 0.00 N ATOM 0 H GLN A 57 -19.932 -10.772 3.481 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.319 -8.321 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.450 -8.909 1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.833 -7.340 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.123 -9.531 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.612 -7.934 3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.287 -9.281 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.046 -8.224 7.018 1.00 0.00 H new ATOM 592 N SER A 58 -22.465 -10.168 1.764 1.00 0.00 N ATOM 593 CA SER A 58 -23.581 -10.381 0.821 1.00 0.00 C ATOM 594 C SER A 58 -24.902 -10.676 1.574 1.00 0.00 C ATOM 595 O SER A 58 -25.979 -10.690 0.971 1.00 0.00 O ATOM 596 CB SER A 58 -23.203 -11.535 -0.142 1.00 0.00 C ATOM 597 OG SER A 58 -24.226 -11.821 -1.074 1.00 0.00 O ATOM 0 H SER A 58 -21.974 -11.028 2.009 1.00 0.00 H new ATOM 0 HA SER A 58 -23.750 -9.473 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.291 -11.272 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.984 -12.431 0.439 1.00 0.00 H new ATOM 0 HG SER A 58 -24.430 -11.015 -1.593 1.00 0.00 H new ATOM 603 N LEU A 59 -24.801 -10.898 2.904 1.00 0.00 N ATOM 604 CA LEU A 59 -25.954 -11.229 3.776 1.00 0.00 C ATOM 605 C LEU A 59 -26.718 -9.947 4.223 1.00 0.00 C ATOM 606 O LEU A 59 -27.791 -10.024 4.839 1.00 0.00 O ATOM 607 CB LEU A 59 -25.433 -12.048 5.004 1.00 0.00 C ATOM 608 CG LEU A 59 -26.506 -12.609 5.998 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.513 -13.547 5.296 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.840 -13.295 7.217 1.00 0.00 C ATOM 0 H LEU A 59 -23.914 -10.853 3.406 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.670 -11.833 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.850 -12.888 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.749 -11.413 5.568 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.076 -11.757 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -28.238 -13.912 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -28.032 -13.000 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.980 -14.392 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.611 -13.674 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.219 -14.123 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.221 -12.572 7.748 1.00 0.00 H new ATOM 622 N THR A 60 -26.174 -8.770 3.875 1.00 0.00 N ATOM 623 CA THR A 60 -26.697 -7.462 4.324 1.00 0.00 C ATOM 624 C THR A 60 -27.125 -6.598 3.118 1.00 0.00 C ATOM 625 O THR A 60 -26.594 -6.740 2.006 1.00 0.00 O ATOM 626 CB THR A 60 -25.639 -6.725 5.217 1.00 0.00 C ATOM 627 OG1 THR A 60 -26.056 -5.378 5.514 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.250 -6.712 4.573 1.00 0.00 C ATOM 0 H THR A 60 -25.355 -8.695 3.272 1.00 0.00 H new ATOM 0 HA THR A 60 -27.585 -7.633 4.933 1.00 0.00 H new ATOM 0 HB THR A 60 -25.572 -7.287 6.148 1.00 0.00 H new ATOM 0 HG1 THR A 60 -25.380 -4.942 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.551 -6.191 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.910 -7.736 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.299 -6.199 3.612 1.00 0.00 H new ATOM 636 N GLU A 61 -28.099 -5.697 3.379 1.00 0.00 N ATOM 637 CA GLU A 61 -28.751 -4.844 2.362 1.00 0.00 C ATOM 638 C GLU A 61 -27.814 -3.708 1.896 1.00 0.00 C ATOM 639 O GLU A 61 -27.625 -3.509 0.690 1.00 0.00 O ATOM 640 CB GLU A 61 -30.074 -4.249 2.940 1.00 0.00 C ATOM 641 CG GLU A 61 -30.839 -3.295 1.990 1.00 0.00 C ATOM 642 CD GLU A 61 -31.273 -3.969 0.675 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.269 -4.730 0.690 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.627 -3.754 -0.373 1.00 0.00 O ATOM 0 H GLU A 61 -28.460 -5.540 4.320 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.981 -5.463 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.735 -5.072 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.840 -3.711 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.721 -2.912 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.207 -2.437 1.760 1.00 0.00 H new ATOM 651 N ASN A 62 -27.244 -2.961 2.869 1.00 0.00 N ATOM 652 CA ASN A 62 -26.335 -1.830 2.592 1.00 0.00 C ATOM 653 C ASN A 62 -24.932 -2.369 2.232 1.00 0.00 C ATOM 654 O ASN A 62 -23.989 -2.310 3.033 1.00 0.00 O ATOM 655 CB ASN A 62 -26.295 -0.849 3.804 1.00 0.00 C ATOM 656 CG ASN A 62 -25.447 0.411 3.550 1.00 0.00 C ATOM 657 OD1 ASN A 62 -25.938 1.410 3.036 1.00 0.00 O ATOM 658 ND2 ASN A 62 -24.171 0.378 3.915 1.00 0.00 N ATOM 0 H ASN A 62 -27.402 -3.126 3.863 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.706 -1.263 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.313 -0.548 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.899 -1.374 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -23.578 1.195 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -23.784 -0.464 4.341 1.00 0.00 H new ATOM 665 N SER A 63 -24.844 -2.939 1.028 1.00 0.00 N ATOM 666 CA SER A 63 -23.643 -3.575 0.490 1.00 0.00 C ATOM 667 C SER A 63 -23.802 -3.723 -1.024 1.00 0.00 C ATOM 668 O SER A 63 -24.911 -3.914 -1.537 1.00 0.00 O ATOM 669 CB SER A 63 -23.385 -4.968 1.141 1.00 0.00 C ATOM 670 OG SER A 63 -22.808 -4.839 2.427 1.00 0.00 O ATOM 0 H SER A 63 -25.632 -2.971 0.382 1.00 0.00 H new ATOM 0 HA SER A 63 -22.783 -2.947 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.324 -5.516 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.724 -5.553 0.501 1.00 0.00 H new ATOM 0 HG SER A 63 -23.032 -3.961 2.799 1.00 0.00 H new ATOM 676 N ILE A 64 -22.667 -3.630 -1.721 1.00 0.00 N ATOM 677 CA ILE A 64 -22.567 -3.841 -3.176 1.00 0.00 C ATOM 678 C ILE A 64 -22.845 -5.318 -3.558 1.00 0.00 C ATOM 679 O ILE A 64 -23.167 -5.625 -4.710 1.00 0.00 O ATOM 680 CB ILE A 64 -21.135 -3.427 -3.692 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.019 -4.253 -2.958 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.902 -1.900 -3.537 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.601 -3.973 -3.414 1.00 0.00 C ATOM 0 H ILE A 64 -21.773 -3.402 -1.287 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.323 -3.215 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.079 -3.659 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.086 -4.052 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.225 -5.314 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.907 -1.645 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.650 -1.357 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.986 -1.624 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.907 -4.593 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.508 -4.203 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.367 -2.921 -3.249 1.00 0.00 H new ATOM 695 N LEU A 65 -22.712 -6.219 -2.561 1.00 0.00 N ATOM 696 CA LEU A 65 -22.893 -7.670 -2.733 1.00 0.00 C ATOM 697 C LEU A 65 -24.341 -8.103 -2.429 1.00 0.00 C ATOM 698 O LEU A 65 -24.625 -9.300 -2.390 1.00 0.00 O ATOM 699 CB LEU A 65 -21.904 -8.426 -1.812 1.00 0.00 C ATOM 700 CG LEU A 65 -20.392 -8.065 -1.962 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.527 -8.916 -1.004 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.916 -8.191 -3.432 1.00 0.00 C ATOM 0 H LEU A 65 -22.473 -5.953 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.689 -7.918 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.196 -8.245 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.019 -9.495 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.269 -7.019 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.478 -8.648 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.832 -8.729 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.660 -9.973 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.859 -7.932 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.059 -9.216 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.494 -7.514 -4.061 1.00 0.00 H new ATOM 714 N ALA A 66 -25.251 -7.127 -2.224 1.00 0.00 N ATOM 715 CA ALA A 66 -26.696 -7.410 -2.024 1.00 0.00 C ATOM 716 C ALA A 66 -27.337 -7.943 -3.329 1.00 0.00 C ATOM 717 O ALA A 66 -28.360 -8.636 -3.294 1.00 0.00 O ATOM 718 CB ALA A 66 -27.426 -6.155 -1.508 1.00 0.00 C ATOM 0 H ALA A 66 -25.015 -6.135 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.796 -8.188 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.483 -6.381 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.991 -5.846 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.321 -5.349 -2.234 1.00 0.00 H new ATOM 724 N GLN A 67 -26.707 -7.613 -4.484 1.00 0.00 N ATOM 725 CA GLN A 67 -27.086 -8.159 -5.812 1.00 0.00 C ATOM 726 C GLN A 67 -26.603 -9.621 -5.981 1.00 0.00 C ATOM 727 O GLN A 67 -27.010 -10.307 -6.920 1.00 0.00 O ATOM 728 CB GLN A 67 -26.530 -7.260 -6.965 1.00 0.00 C ATOM 729 CG GLN A 67 -24.993 -7.138 -7.015 1.00 0.00 C ATOM 730 CD GLN A 67 -24.478 -6.363 -8.237 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.230 -6.946 -9.299 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.312 -5.055 -8.101 1.00 0.00 N ATOM 0 H GLN A 67 -25.923 -6.962 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.175 -8.157 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.879 -7.660 -7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.955 -6.262 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.646 -6.642 -6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.557 -8.137 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.526 -4.604 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.971 -4.500 -8.886 1.00 0.00 H new ATOM 741 N PHE A 68 -25.734 -10.083 -5.062 1.00 0.00 N ATOM 742 CA PHE A 68 -25.187 -11.459 -5.057 1.00 0.00 C ATOM 743 C PHE A 68 -25.699 -12.252 -3.836 1.00 0.00 C ATOM 744 O PHE A 68 -25.116 -13.277 -3.474 1.00 0.00 O ATOM 745 CB PHE A 68 -23.632 -11.399 -5.050 1.00 0.00 C ATOM 746 CG PHE A 68 -23.018 -10.710 -6.276 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.252 -11.208 -7.562 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.198 -9.587 -6.147 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.691 -10.601 -8.672 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.639 -8.982 -7.261 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.885 -9.489 -8.522 1.00 0.00 C ATOM 0 H PHE A 68 -25.387 -9.509 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.525 -11.974 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.305 -10.875 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -23.242 -12.415 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.879 -12.078 -7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.997 -9.185 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.884 -10.998 -9.658 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.010 -8.112 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.448 -9.017 -9.389 1.00 0.00 H new ATOM 761 N ALA A 69 -26.831 -11.793 -3.250 1.00 0.00 N ATOM 762 CA ALA A 69 -27.398 -12.358 -2.001 1.00 0.00 C ATOM 763 C ALA A 69 -27.837 -13.834 -2.157 1.00 0.00 C ATOM 764 O ALA A 69 -27.882 -14.580 -1.173 1.00 0.00 O ATOM 765 CB ALA A 69 -28.576 -11.487 -1.529 1.00 0.00 C ATOM 0 H ALA A 69 -27.377 -11.020 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.609 -12.350 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.992 -11.903 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -28.226 -10.472 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -29.346 -11.468 -2.300 1.00 0.00 H new ATOM 771 N GLY A 70 -28.173 -14.245 -3.399 1.00 0.00 N ATOM 772 CA GLY A 70 -28.564 -15.638 -3.702 1.00 0.00 C ATOM 773 C GLY A 70 -27.543 -16.373 -4.566 1.00 0.00 C ATOM 774 O GLY A 70 -27.777 -17.515 -4.969 1.00 0.00 O ATOM 0 H GLY A 70 -28.181 -13.628 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.699 -16.182 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.528 -15.636 -4.212 1.00 0.00 H new ATOM 778 N GLU A 71 -26.403 -15.713 -4.836 1.00 0.00 N ATOM 779 CA GLU A 71 -25.323 -16.243 -5.693 1.00 0.00 C ATOM 780 C GLU A 71 -24.237 -16.905 -4.822 1.00 0.00 C ATOM 781 O GLU A 71 -24.046 -16.525 -3.658 1.00 0.00 O ATOM 782 CB GLU A 71 -24.724 -15.082 -6.552 1.00 0.00 C ATOM 783 CG GLU A 71 -23.582 -15.468 -7.527 1.00 0.00 C ATOM 784 CD GLU A 71 -23.992 -16.458 -8.628 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.433 -16.010 -9.706 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.876 -17.687 -8.416 1.00 0.00 O ATOM 0 H GLU A 71 -26.202 -14.786 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.725 -17.001 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.531 -14.633 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.351 -14.313 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.199 -14.561 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.762 -15.901 -6.953 1.00 0.00 H new ATOM 793 N ASP A 72 -23.547 -17.915 -5.403 1.00 0.00 N ATOM 794 CA ASP A 72 -22.360 -18.551 -4.789 1.00 0.00 C ATOM 795 C ASP A 72 -21.241 -17.490 -4.662 1.00 0.00 C ATOM 796 O ASP A 72 -20.916 -16.862 -5.660 1.00 0.00 O ATOM 797 CB ASP A 72 -21.878 -19.750 -5.663 1.00 0.00 C ATOM 798 CG ASP A 72 -20.597 -20.439 -5.137 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.480 -19.968 -5.443 1.00 0.00 O ATOM 800 OD2 ASP A 72 -20.707 -21.445 -4.402 1.00 0.00 O ATOM 0 H ASP A 72 -23.798 -18.310 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.615 -18.935 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.678 -20.489 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.697 -19.396 -6.678 1.00 0.00 H new ATOM 805 N PRO A 73 -20.635 -17.281 -3.442 1.00 0.00 N ATOM 806 CA PRO A 73 -19.639 -16.199 -3.192 1.00 0.00 C ATOM 807 C PRO A 73 -18.399 -16.228 -4.128 1.00 0.00 C ATOM 808 O PRO A 73 -17.881 -15.168 -4.480 1.00 0.00 O ATOM 809 CB PRO A 73 -19.239 -16.409 -1.700 1.00 0.00 C ATOM 810 CG PRO A 73 -19.669 -17.809 -1.373 1.00 0.00 C ATOM 811 CD PRO A 73 -20.899 -18.063 -2.201 1.00 0.00 C ATOM 0 HA PRO A 73 -20.070 -15.220 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.166 -16.283 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.733 -15.684 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.883 -18.525 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.885 -17.914 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.031 -19.124 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.803 -17.724 -1.695 1.00 0.00 H new ATOM 819 N VAL A 74 -17.940 -17.433 -4.531 1.00 0.00 N ATOM 820 CA VAL A 74 -16.752 -17.579 -5.415 1.00 0.00 C ATOM 821 C VAL A 74 -17.113 -17.199 -6.875 1.00 0.00 C ATOM 822 O VAL A 74 -16.320 -16.567 -7.585 1.00 0.00 O ATOM 823 CB VAL A 74 -16.145 -19.037 -5.371 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.772 -19.095 -6.085 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.031 -19.563 -3.918 1.00 0.00 C ATOM 0 H VAL A 74 -18.369 -18.318 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.990 -16.896 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.834 -19.690 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.380 -20.111 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.891 -18.800 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.077 -18.415 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.610 -20.568 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.383 -18.903 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.021 -19.588 -3.462 1.00 0.00 H new ATOM 835 N VAL A 75 -18.326 -17.601 -7.306 1.00 0.00 N ATOM 836 CA VAL A 75 -18.863 -17.276 -8.656 1.00 0.00 C ATOM 837 C VAL A 75 -19.149 -15.760 -8.761 1.00 0.00 C ATOM 838 O VAL A 75 -18.847 -15.114 -9.780 1.00 0.00 O ATOM 839 CB VAL A 75 -20.162 -18.112 -8.971 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.771 -17.759 -10.360 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.865 -19.631 -8.862 1.00 0.00 C ATOM 0 H VAL A 75 -18.963 -18.158 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.111 -17.545 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.911 -17.846 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.663 -18.361 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -21.037 -16.702 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -20.040 -17.966 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.771 -20.196 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.087 -19.902 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.528 -19.864 -7.852 1.00 0.00 H new ATOM 851 N ALA A 76 -19.699 -15.223 -7.667 1.00 0.00 N ATOM 852 CA ALA A 76 -19.999 -13.793 -7.486 1.00 0.00 C ATOM 853 C ALA A 76 -18.718 -12.955 -7.479 1.00 0.00 C ATOM 854 O ALA A 76 -18.720 -11.806 -7.925 1.00 0.00 O ATOM 855 CB ALA A 76 -20.762 -13.581 -6.167 1.00 0.00 C ATOM 0 H ALA A 76 -19.957 -15.786 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.616 -13.469 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.981 -12.521 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.695 -14.144 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.151 -13.928 -5.334 1.00 0.00 H new ATOM 861 N LEU A 77 -17.639 -13.558 -6.952 1.00 0.00 N ATOM 862 CA LEU A 77 -16.323 -12.919 -6.831 1.00 0.00 C ATOM 863 C LEU A 77 -15.778 -12.499 -8.212 1.00 0.00 C ATOM 864 O LEU A 77 -15.424 -11.344 -8.393 1.00 0.00 O ATOM 865 CB LEU A 77 -15.328 -13.878 -6.136 1.00 0.00 C ATOM 866 CG LEU A 77 -13.922 -13.290 -5.802 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.997 -12.215 -4.689 1.00 0.00 C ATOM 868 CD2 LEU A 77 -12.934 -14.407 -5.435 1.00 0.00 C ATOM 0 H LEU A 77 -17.659 -14.513 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.438 -12.020 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.781 -14.229 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.191 -14.751 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.552 -12.795 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.997 -11.831 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.640 -11.398 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.406 -12.659 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.961 -13.972 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.303 -14.948 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.835 -15.096 -6.274 1.00 0.00 H new ATOM 880 N GLU A 78 -15.754 -13.449 -9.184 1.00 0.00 N ATOM 881 CA GLU A 78 -15.221 -13.197 -10.557 1.00 0.00 C ATOM 882 C GLU A 78 -16.044 -12.124 -11.299 1.00 0.00 C ATOM 883 O GLU A 78 -15.485 -11.280 -12.015 1.00 0.00 O ATOM 884 CB GLU A 78 -15.184 -14.495 -11.407 1.00 0.00 C ATOM 885 CG GLU A 78 -14.288 -15.605 -10.841 1.00 0.00 C ATOM 886 CD GLU A 78 -14.104 -16.791 -11.811 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.090 -17.510 -12.070 1.00 0.00 O ATOM 888 OE2 GLU A 78 -12.981 -17.001 -12.329 1.00 0.00 O ATOM 0 H GLU A 78 -16.098 -14.399 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.202 -12.833 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.199 -14.880 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.841 -14.246 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.311 -15.187 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.718 -15.970 -9.908 1.00 0.00 H new ATOM 895 N ALA A 79 -17.376 -12.182 -11.116 1.00 0.00 N ATOM 896 CA ALA A 79 -18.318 -11.203 -11.693 1.00 0.00 C ATOM 897 C ALA A 79 -18.048 -9.794 -11.128 1.00 0.00 C ATOM 898 O ALA A 79 -18.010 -8.809 -11.867 1.00 0.00 O ATOM 899 CB ALA A 79 -19.770 -11.641 -11.414 1.00 0.00 C ATOM 0 H ALA A 79 -17.831 -12.909 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.170 -11.164 -12.772 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.458 -10.913 -11.843 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.948 -12.618 -11.864 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.931 -11.702 -10.338 1.00 0.00 H new ATOM 905 N ALA A 80 -17.808 -9.742 -9.811 1.00 0.00 N ATOM 906 CA ALA A 80 -17.563 -8.494 -9.067 1.00 0.00 C ATOM 907 C ALA A 80 -16.101 -8.000 -9.218 1.00 0.00 C ATOM 908 O ALA A 80 -15.793 -6.841 -8.925 1.00 0.00 O ATOM 909 CB ALA A 80 -17.942 -8.703 -7.595 1.00 0.00 C ATOM 0 H ALA A 80 -17.778 -10.575 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.189 -7.708 -9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.763 -7.783 -7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.997 -8.970 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.336 -9.505 -7.174 1.00 0.00 H new ATOM 915 N LEU A 81 -15.204 -8.904 -9.653 1.00 0.00 N ATOM 916 CA LEU A 81 -13.806 -8.572 -10.021 1.00 0.00 C ATOM 917 C LEU A 81 -13.811 -7.765 -11.328 1.00 0.00 C ATOM 918 O LEU A 81 -13.135 -6.737 -11.453 1.00 0.00 O ATOM 919 CB LEU A 81 -12.951 -9.890 -10.183 1.00 0.00 C ATOM 920 CG LEU A 81 -11.903 -10.206 -9.067 1.00 0.00 C ATOM 921 CD1 LEU A 81 -12.538 -10.210 -7.664 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.187 -11.548 -9.358 1.00 0.00 C ATOM 0 H LEU A 81 -15.426 -9.894 -9.761 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.353 -7.974 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.639 -10.733 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.424 -9.835 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.161 -9.408 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.774 -10.434 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.970 -9.231 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.320 -10.968 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.461 -11.751 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.922 -12.353 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.674 -11.486 -10.317 1.00 0.00 H new ATOM 934 N GLN A 82 -14.616 -8.263 -12.283 1.00 0.00 N ATOM 935 CA GLN A 82 -14.764 -7.678 -13.621 1.00 0.00 C ATOM 936 C GLN A 82 -15.628 -6.396 -13.567 1.00 0.00 C ATOM 937 O GLN A 82 -15.469 -5.490 -14.394 1.00 0.00 O ATOM 938 CB GLN A 82 -15.388 -8.738 -14.582 1.00 0.00 C ATOM 939 CG GLN A 82 -15.380 -8.360 -16.085 1.00 0.00 C ATOM 940 CD GLN A 82 -13.982 -8.334 -16.742 1.00 0.00 C ATOM 941 OE1 GLN A 82 -12.958 -8.097 -16.095 1.00 0.00 O ATOM 942 NE2 GLN A 82 -13.936 -8.551 -18.045 1.00 0.00 N ATOM 0 H GLN A 82 -15.189 -9.095 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.782 -7.393 -14.000 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -14.849 -9.677 -14.458 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.418 -8.919 -14.276 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.007 -9.069 -16.626 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.838 -7.377 -16.200 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.795 -8.745 -18.560 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.042 -8.524 -18.535 1.00 0.00 H new ATOM 951 N PHE A 83 -16.540 -6.330 -12.576 1.00 0.00 N ATOM 952 CA PHE A 83 -17.439 -5.184 -12.393 1.00 0.00 C ATOM 953 C PHE A 83 -16.694 -4.065 -11.640 1.00 0.00 C ATOM 954 O PHE A 83 -16.330 -4.223 -10.468 1.00 0.00 O ATOM 955 CB PHE A 83 -18.730 -5.632 -11.651 1.00 0.00 C ATOM 956 CG PHE A 83 -19.876 -4.615 -11.620 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.021 -3.651 -12.619 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.828 -4.648 -10.599 1.00 0.00 C ATOM 959 CE1 PHE A 83 -21.070 -2.754 -12.592 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.881 -3.751 -10.576 1.00 0.00 C ATOM 961 CZ PHE A 83 -22.001 -2.804 -11.573 1.00 0.00 C ATOM 0 H PHE A 83 -16.670 -7.069 -11.885 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.745 -4.789 -13.362 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.095 -6.546 -12.119 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.466 -5.883 -10.624 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.303 -3.606 -13.424 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.741 -5.385 -9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.163 -2.011 -13.370 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.608 -3.792 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.822 -2.103 -11.556 1.00 0.00 H new ATOM 971 N GLU A 84 -16.481 -2.934 -12.343 1.00 0.00 N ATOM 972 CA GLU A 84 -15.661 -1.804 -11.864 1.00 0.00 C ATOM 973 C GLU A 84 -16.264 -1.117 -10.625 1.00 0.00 C ATOM 974 O GLU A 84 -15.537 -0.529 -9.819 1.00 0.00 O ATOM 975 CB GLU A 84 -15.446 -0.784 -13.007 1.00 0.00 C ATOM 976 CG GLU A 84 -16.725 -0.070 -13.500 1.00 0.00 C ATOM 977 CD GLU A 84 -16.476 0.852 -14.697 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.944 1.964 -14.495 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.778 0.466 -15.847 1.00 0.00 O ATOM 0 H GLU A 84 -16.878 -2.779 -13.270 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.697 -2.209 -11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.735 -0.030 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.988 -1.300 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.469 -0.818 -13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.147 0.513 -12.681 1.00 0.00 H new ATOM 986 N ASP A 85 -17.589 -1.213 -10.486 1.00 0.00 N ATOM 987 CA ASP A 85 -18.326 -0.662 -9.334 1.00 0.00 C ATOM 988 C ASP A 85 -17.943 -1.404 -8.037 1.00 0.00 C ATOM 989 O ASP A 85 -17.749 -0.789 -6.992 1.00 0.00 O ATOM 990 CB ASP A 85 -19.850 -0.779 -9.587 1.00 0.00 C ATOM 991 CG ASP A 85 -20.725 -0.205 -8.456 1.00 0.00 C ATOM 992 OD1 ASP A 85 -21.056 -0.941 -7.498 1.00 0.00 O ATOM 993 OD2 ASP A 85 -21.086 0.987 -8.523 1.00 0.00 O ATOM 0 H ASP A 85 -18.188 -1.676 -11.170 1.00 0.00 H new ATOM 0 HA ASP A 85 -18.060 0.389 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.093 -0.264 -10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.103 -1.829 -9.729 1.00 0.00 H new ATOM 998 N THR A 86 -17.830 -2.734 -8.138 1.00 0.00 N ATOM 999 CA THR A 86 -17.645 -3.635 -6.987 1.00 0.00 C ATOM 1000 C THR A 86 -16.160 -3.993 -6.726 1.00 0.00 C ATOM 1001 O THR A 86 -15.816 -4.426 -5.610 1.00 0.00 O ATOM 1002 CB THR A 86 -18.479 -4.937 -7.217 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.223 -5.426 -8.529 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.995 -4.710 -7.063 1.00 0.00 C ATOM 0 H THR A 86 -17.865 -3.224 -9.032 1.00 0.00 H new ATOM 0 HA THR A 86 -17.994 -3.107 -6.100 1.00 0.00 H new ATOM 0 HB THR A 86 -18.174 -5.655 -6.456 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.347 -5.864 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.523 -5.648 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.209 -4.352 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.328 -3.969 -7.790 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.285 -3.799 -7.745 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.842 -4.174 -7.657 1.00 0.00 C ATOM 1014 C ARG A 87 -13.089 -3.372 -6.565 1.00 0.00 C ATOM 1015 O ARG A 87 -12.018 -3.793 -6.105 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.113 -3.997 -9.020 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.918 -2.527 -9.461 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.957 -2.382 -10.654 1.00 0.00 C ATOM 1019 NE ARG A 87 -10.628 -2.956 -10.358 1.00 0.00 N ATOM 1020 CZ ARG A 87 -9.665 -2.367 -9.626 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -9.786 -1.109 -9.216 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -8.557 -3.034 -9.357 1.00 0.00 N ATOM 0 H ARG A 87 -15.549 -3.385 -8.639 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.828 -5.229 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.136 -4.477 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.679 -4.521 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.886 -2.101 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.535 -1.948 -8.620 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.382 -2.879 -11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.850 -1.328 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.423 -3.879 -10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.620 -0.573 -9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.045 -0.680 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.438 -3.986 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.820 -2.597 -8.803 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.654 -2.208 -6.183 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.114 -1.341 -5.114 1.00 0.00 C ATOM 1038 C GLU A 88 -12.919 -2.120 -3.789 1.00 0.00 C ATOM 1039 O GLU A 88 -11.835 -2.091 -3.200 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.053 -0.123 -4.889 1.00 0.00 C ATOM 1041 CG GLU A 88 -15.545 -0.489 -4.654 1.00 0.00 C ATOM 1042 CD GLU A 88 -16.351 0.607 -3.942 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.613 1.662 -4.551 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -16.722 0.415 -2.763 1.00 0.00 O ATOM 0 H GLU A 88 -14.504 -1.840 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.135 -0.986 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.692 0.443 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.986 0.535 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.012 -0.703 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.596 -1.404 -4.064 1.00 0.00 H new ATOM 1051 N SER A 89 -13.958 -2.873 -3.376 1.00 0.00 N ATOM 1052 CA SER A 89 -14.006 -3.556 -2.064 1.00 0.00 C ATOM 1053 C SER A 89 -13.076 -4.783 -2.024 1.00 0.00 C ATOM 1054 O SER A 89 -12.763 -5.289 -0.938 1.00 0.00 O ATOM 1055 CB SER A 89 -15.459 -3.954 -1.730 1.00 0.00 C ATOM 1056 OG SER A 89 -15.598 -4.402 -0.385 1.00 0.00 O ATOM 0 H SER A 89 -14.791 -3.026 -3.944 1.00 0.00 H new ATOM 0 HA SER A 89 -13.647 -2.859 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.115 -3.100 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.783 -4.742 -2.409 1.00 0.00 H new ATOM 0 HG SER A 89 -15.547 -5.380 -0.359 1.00 0.00 H new ATOM 1062 N MET A 90 -12.635 -5.244 -3.214 1.00 0.00 N ATOM 1063 CA MET A 90 -11.728 -6.404 -3.361 1.00 0.00 C ATOM 1064 C MET A 90 -10.351 -6.146 -2.737 1.00 0.00 C ATOM 1065 O MET A 90 -9.615 -7.093 -2.480 1.00 0.00 O ATOM 1066 CB MET A 90 -11.573 -6.786 -4.848 1.00 0.00 C ATOM 1067 CG MET A 90 -12.881 -7.205 -5.499 1.00 0.00 C ATOM 1068 SD MET A 90 -13.650 -8.575 -4.624 1.00 0.00 S ATOM 1069 CE MET A 90 -15.195 -8.702 -5.498 1.00 0.00 C ATOM 0 H MET A 90 -12.899 -4.821 -4.104 1.00 0.00 H new ATOM 0 HA MET A 90 -12.183 -7.235 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.159 -5.938 -5.393 1.00 0.00 H new ATOM 0 HB3 MET A 90 -10.855 -7.601 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 90 -13.565 -6.357 -5.520 1.00 0.00 H new ATOM 0 HG3 MET A 90 -12.697 -7.492 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 90 -15.320 -9.719 -5.870 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.016 -8.459 -4.823 1.00 0.00 H new ATOM 0 HE3 MET A 90 -15.197 -8.006 -6.337 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.026 -4.858 -2.494 1.00 0.00 N ATOM 1080 CA HIS A 91 -8.788 -4.453 -1.791 1.00 0.00 C ATOM 1081 C HIS A 91 -8.755 -5.031 -0.350 1.00 0.00 C ATOM 1082 O HIS A 91 -7.686 -5.289 0.207 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.662 -2.897 -1.771 1.00 0.00 C ATOM 1084 CG HIS A 91 -9.428 -2.184 -0.678 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -8.807 -1.483 0.336 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -10.754 -2.086 -0.427 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -9.709 -0.996 1.152 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -10.899 -1.352 0.710 1.00 0.00 N ATOM 0 H HIS A 91 -10.611 -4.072 -2.778 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.934 -4.861 -2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.607 -2.639 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.999 -2.513 -2.734 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.550 -2.512 -1.020 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.512 -0.405 2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -11.788 -1.115 1.151 1.00 0.00 H new ATOM 1097 N ALA A 92 -9.955 -5.219 0.225 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.144 -5.737 1.589 1.00 0.00 C ATOM 1099 C ALA A 92 -10.194 -7.275 1.604 1.00 0.00 C ATOM 1100 O ALA A 92 -9.772 -7.902 2.578 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.433 -5.153 2.184 1.00 0.00 C ATOM 0 H ALA A 92 -10.833 -5.012 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.292 -5.431 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.574 -5.536 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.359 -4.066 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.283 -5.441 1.565 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.728 -7.879 0.516 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.834 -9.352 0.392 1.00 0.00 C ATOM 1109 C PHE A 93 -9.487 -9.967 -0.033 1.00 0.00 C ATOM 1110 O PHE A 93 -9.205 -11.123 0.296 1.00 0.00 O ATOM 1111 CB PHE A 93 -11.940 -9.742 -0.631 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.345 -9.284 -0.232 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.970 -9.816 0.896 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.039 -8.330 -0.980 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.240 -9.405 1.262 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.309 -7.923 -0.613 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.908 -8.461 0.508 1.00 0.00 C ATOM 0 H PHE A 93 -11.092 -7.368 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.105 -9.748 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.691 -9.313 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -11.943 -10.825 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.457 -10.557 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.577 -7.904 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.710 -9.824 2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.832 -7.185 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.899 -8.143 0.795 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.642 -9.171 -0.729 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.336 -9.633 -1.214 1.00 0.00 C ATOM 1129 C CYS A 94 -6.316 -9.602 -0.062 1.00 0.00 C ATOM 1130 O CYS A 94 -5.851 -8.533 0.350 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.854 -8.799 -2.429 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.613 -7.043 -2.094 1.00 0.00 S ATOM 0 H CYS A 94 -8.851 -8.201 -0.964 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.435 -10.661 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.915 -9.218 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.580 -8.904 -3.235 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.154 -6.890 -0.887 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.028 -10.793 0.477 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.054 -11.001 1.562 1.00 0.00 C ATOM 1140 C VAL A 95 -3.621 -10.726 1.053 1.00 0.00 C ATOM 1141 O VAL A 95 -2.776 -10.180 1.777 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.164 -12.473 2.119 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.199 -12.723 3.310 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.634 -12.807 2.501 1.00 0.00 C ATOM 0 H VAL A 95 -6.472 -11.657 0.167 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.277 -10.305 2.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.856 -13.148 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.311 -13.749 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.171 -12.560 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.437 -12.035 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.688 -13.827 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.977 -12.113 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.269 -12.716 1.620 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.386 -11.093 -0.217 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.114 -10.848 -0.891 1.00 0.00 C ATOM 1156 C GLY A 96 -2.086 -11.491 -2.267 1.00 0.00 C ATOM 1157 O GLY A 96 -3.119 -11.959 -2.758 1.00 0.00 O ATOM 0 H GLY A 96 -4.076 -11.567 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.951 -9.774 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.298 -11.242 -0.286 1.00 0.00 H new ATOM 1161 N GLN A 97 -0.903 -11.500 -2.898 1.00 0.00 N ATOM 1162 CA GLN A 97 -0.679 -12.191 -4.177 1.00 0.00 C ATOM 1163 C GLN A 97 -0.240 -13.627 -3.879 1.00 0.00 C ATOM 1164 O GLN A 97 0.588 -13.845 -2.999 1.00 0.00 O ATOM 1165 CB GLN A 97 0.411 -11.465 -5.008 1.00 0.00 C ATOM 1166 CG GLN A 97 0.673 -12.064 -6.411 1.00 0.00 C ATOM 1167 CD GLN A 97 1.935 -11.513 -7.080 1.00 0.00 C ATOM 1168 OE1 GLN A 97 3.015 -12.074 -6.943 1.00 0.00 O ATOM 1169 NE2 GLN A 97 1.811 -10.401 -7.787 1.00 0.00 N ATOM 0 H GLN A 97 -0.074 -11.028 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.601 -12.191 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.122 -10.420 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.344 -11.477 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.759 -13.147 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.186 -11.862 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.898 -9.957 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.629 -9.988 -8.236 1.00 0.00 H new ATOM 1178 N TYR A 98 -0.798 -14.588 -4.603 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.439 -16.004 -4.474 1.00 0.00 C ATOM 1180 C TYR A 98 0.875 -16.303 -5.214 1.00 0.00 C ATOM 1181 O TYR A 98 1.027 -15.952 -6.394 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.578 -16.886 -5.034 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.281 -18.404 -5.079 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.093 -19.140 -3.910 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.192 -19.091 -6.297 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -0.829 -20.493 -3.956 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.933 -20.440 -6.336 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.752 -21.134 -5.169 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.488 -22.483 -5.220 1.00 0.00 O ATOM 0 H TYR A 98 -1.518 -14.411 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.295 -16.231 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.470 -16.725 -4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.813 -16.549 -6.044 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.155 -18.643 -2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.329 -18.551 -7.222 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.683 -21.047 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.872 -20.952 -7.285 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.469 -22.778 -6.155 1.00 0.00 H new ATOM 1199 N LEU A 99 1.811 -16.943 -4.501 1.00 0.00 N ATOM 1200 CA LEU A 99 2.995 -17.556 -5.099 1.00 0.00 C ATOM 1201 C LEU A 99 2.795 -19.077 -5.104 1.00 0.00 C ATOM 1202 O LEU A 99 2.639 -19.695 -4.036 1.00 0.00 O ATOM 1203 CB LEU A 99 4.292 -17.187 -4.326 1.00 0.00 C ATOM 1204 CG LEU A 99 5.613 -17.807 -4.906 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.908 -17.301 -6.342 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.812 -17.559 -3.968 1.00 0.00 C ATOM 0 H LEU A 99 1.764 -17.048 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 99 3.114 -17.180 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.393 -16.102 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.183 -17.508 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 99 5.459 -18.884 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.830 -17.754 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.084 -17.576 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.017 -16.217 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.710 -18.001 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.960 -16.486 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.615 -18.014 -2.997 1.00 0.00 H new ATOM 1218 N GLU A 100 2.753 -19.664 -6.312 1.00 0.00 N ATOM 1219 CA GLU A 100 2.716 -21.122 -6.485 1.00 0.00 C ATOM 1220 C GLU A 100 4.118 -21.707 -6.164 1.00 0.00 C ATOM 1221 O GLU A 100 5.122 -21.146 -6.619 1.00 0.00 O ATOM 1222 CB GLU A 100 2.256 -21.464 -7.930 1.00 0.00 C ATOM 1223 CG GLU A 100 2.111 -22.966 -8.230 1.00 0.00 C ATOM 1224 CD GLU A 100 1.655 -23.256 -9.667 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.514 -23.290 -10.579 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.441 -23.435 -9.890 1.00 0.00 O ATOM 0 H GLU A 100 2.744 -19.143 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 100 1.999 -21.571 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.298 -20.978 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.971 -21.036 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.067 -23.459 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.394 -23.401 -7.534 1.00 0.00 H new ATOM 1233 N PRO A 101 4.209 -22.813 -5.342 1.00 0.00 N ATOM 1234 CA PRO A 101 5.510 -23.381 -4.872 1.00 0.00 C ATOM 1235 C PRO A 101 6.484 -23.744 -6.026 1.00 0.00 C ATOM 1236 O PRO A 101 7.677 -23.432 -5.953 1.00 0.00 O ATOM 1237 CB PRO A 101 5.083 -24.644 -4.057 1.00 0.00 C ATOM 1238 CG PRO A 101 3.681 -24.932 -4.504 1.00 0.00 C ATOM 1239 CD PRO A 101 3.066 -23.583 -4.783 1.00 0.00 C ATOM 0 HA PRO A 101 6.075 -22.656 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.744 -25.487 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.125 -24.456 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.674 -25.559 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.125 -25.466 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.240 -23.653 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.672 -23.122 -3.877 1.00 0.00 H new ATOM 1247 N ASP A 102 5.958 -24.362 -7.101 1.00 0.00 N ATOM 1248 CA ASP A 102 6.785 -24.838 -8.236 1.00 0.00 C ATOM 1249 C ASP A 102 6.982 -23.722 -9.295 1.00 0.00 C ATOM 1250 O ASP A 102 7.771 -23.867 -10.226 1.00 0.00 O ATOM 1251 CB ASP A 102 6.155 -26.117 -8.853 1.00 0.00 C ATOM 1252 CG ASP A 102 7.147 -26.930 -9.708 1.00 0.00 C ATOM 1253 OD1 ASP A 102 7.977 -27.667 -9.126 1.00 0.00 O ATOM 1254 OD2 ASP A 102 7.121 -26.838 -10.955 1.00 0.00 O ATOM 0 H ASP A 102 4.961 -24.546 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 102 7.776 -25.096 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.773 -26.749 -8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.302 -25.833 -9.469 1.00 0.00 H new ATOM 1259 N GLN A 103 6.268 -22.594 -9.116 1.00 0.00 N ATOM 1260 CA GLN A 103 6.420 -21.382 -9.959 1.00 0.00 C ATOM 1261 C GLN A 103 7.702 -20.605 -9.575 1.00 0.00 C ATOM 1262 O GLN A 103 8.221 -19.822 -10.383 1.00 0.00 O ATOM 1263 CB GLN A 103 5.156 -20.479 -9.792 1.00 0.00 C ATOM 1264 CG GLN A 103 5.180 -19.116 -10.523 1.00 0.00 C ATOM 1265 CD GLN A 103 5.276 -19.236 -12.048 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.733 -20.160 -12.649 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.958 -18.297 -12.684 1.00 0.00 N ATOM 0 H GLN A 103 5.567 -22.493 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 103 6.514 -21.680 -11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.288 -21.038 -10.142 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.008 -20.293 -8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.278 -18.561 -10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.027 -18.534 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.398 -17.542 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.043 -18.328 -13.700 1.00 0.00 H new