USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 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 31:sc= 0.0955 USER MOD Single : A 33 ASN : amide:sc= 0.836 K(o=0.84,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0962 K(o=-0.096,f=-0.89) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.0017 (180deg=-0.104) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= 0.447 (180deg=0.13) USER MOD Single : A 55 GLN : amide:sc= -0.715 K(o=-0.72,f=0) USER MOD Single : A 56 THR OG1 : rot 71:sc= 0.803 USER MOD Single : A 57 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.069) USER MOD Single : A 58 SER OG : rot 53:sc= 0.0724 USER MOD Single : A 60 THR OG1 : rot 67:sc= 0.433 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 SER OG : rot -150:sc= -0.0176 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 86 THR OG1 : rot 65:sc= -1.38! USER MOD Single : A 89 SER OG : rot -77:sc= 0.363 USER MOD Single : A 90 MET CE :methyl -177:sc= -1.11 (180deg=-1.12) USER MOD Single : A 91 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 94 CYS SG : rot -20:sc= -1.93! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.549 USER MOD Single : A 103 GLN : amide:sc= 0.207 X(o=0.21,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 2.607 -9.995 -0.316 1.00 0.00 N ATOM 55 CA THR A 24 2.178 -11.136 0.500 1.00 0.00 C ATOM 56 C THR A 24 2.000 -12.363 -0.411 1.00 0.00 C ATOM 57 O THR A 24 1.086 -12.391 -1.230 1.00 0.00 O ATOM 58 CB THR A 24 0.840 -10.797 1.239 1.00 0.00 C ATOM 59 OG1 THR A 24 1.032 -9.620 2.049 1.00 0.00 O ATOM 60 CG2 THR A 24 0.329 -11.962 2.118 1.00 0.00 C ATOM 0 HA THR A 24 2.934 -11.355 1.254 1.00 0.00 H new ATOM 0 HB THR A 24 0.080 -10.620 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.698 -9.038 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.601 -11.669 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.152 -12.838 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.076 -12.201 2.875 1.00 0.00 H new ATOM 68 N LEU A 25 2.909 -13.345 -0.287 1.00 0.00 N ATOM 69 CA LEU A 25 2.898 -14.560 -1.118 1.00 0.00 C ATOM 70 C LEU A 25 2.237 -15.714 -0.359 1.00 0.00 C ATOM 71 O LEU A 25 2.787 -16.235 0.620 1.00 0.00 O ATOM 72 CB LEU A 25 4.340 -14.922 -1.565 1.00 0.00 C ATOM 73 CG LEU A 25 5.036 -13.866 -2.481 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.468 -14.296 -2.851 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.192 -13.588 -3.747 1.00 0.00 C ATOM 0 H LEU A 25 3.671 -13.319 0.391 1.00 0.00 H new ATOM 0 HA LEU A 25 2.311 -14.372 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.953 -15.069 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.311 -15.875 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 25 5.110 -12.937 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.922 -13.538 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.060 -14.408 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.436 -15.247 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.699 -12.849 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.068 -14.512 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.213 -13.206 -3.455 1.00 0.00 H new ATOM 87 N VAL A 26 1.034 -16.069 -0.817 1.00 0.00 N ATOM 88 CA VAL A 26 0.231 -17.163 -0.271 1.00 0.00 C ATOM 89 C VAL A 26 0.510 -18.428 -1.092 1.00 0.00 C ATOM 90 O VAL A 26 0.549 -18.380 -2.331 1.00 0.00 O ATOM 91 CB VAL A 26 -1.304 -16.807 -0.304 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.175 -17.949 0.278 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.586 -15.462 0.422 1.00 0.00 C ATOM 0 H VAL A 26 0.582 -15.591 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 26 0.504 -17.330 0.771 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.583 -16.689 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.226 -17.662 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.023 -18.857 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.890 -18.132 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.653 -15.244 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.269 -15.537 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.033 -14.661 -0.069 1.00 0.00 H new ATOM 103 N ARG A 27 0.752 -19.540 -0.390 1.00 0.00 N ATOM 104 CA ARG A 27 1.014 -20.850 -1.008 1.00 0.00 C ATOM 105 C ARG A 27 -0.244 -21.718 -0.924 1.00 0.00 C ATOM 106 O ARG A 27 -1.224 -21.350 -0.256 1.00 0.00 O ATOM 107 CB ARG A 27 2.200 -21.556 -0.295 1.00 0.00 C ATOM 108 CG ARG A 27 3.466 -20.694 -0.169 1.00 0.00 C ATOM 109 CD ARG A 27 4.012 -20.252 -1.526 1.00 0.00 C ATOM 110 NE ARG A 27 5.109 -19.284 -1.376 1.00 0.00 N ATOM 111 CZ ARG A 27 5.794 -18.744 -2.383 1.00 0.00 C ATOM 112 NH1 ARG A 27 5.507 -19.047 -3.647 1.00 0.00 N ATOM 113 NH2 ARG A 27 6.770 -17.877 -2.126 1.00 0.00 N ATOM 0 H ARG A 27 0.772 -19.560 0.630 1.00 0.00 H new ATOM 0 HA ARG A 27 1.279 -20.702 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.881 -21.859 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.447 -22.466 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.243 -19.813 0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.234 -21.257 0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.366 -21.123 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.210 -19.806 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 27 5.365 -19.005 -0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.753 -19.701 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.041 -18.625 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.991 -17.629 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.298 -17.461 -2.893 1.00 0.00 H new ATOM 127 N ILE A 28 -0.206 -22.872 -1.612 1.00 0.00 N ATOM 128 CA ILE A 28 -1.282 -23.880 -1.553 1.00 0.00 C ATOM 129 C ILE A 28 -1.465 -24.406 -0.110 1.00 0.00 C ATOM 130 O ILE A 28 -2.589 -24.671 0.315 1.00 0.00 O ATOM 131 CB ILE A 28 -1.027 -25.067 -2.568 1.00 0.00 C ATOM 132 CG1 ILE A 28 -2.155 -26.157 -2.478 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.389 -25.679 -2.404 1.00 0.00 C ATOM 134 CD1 ILE A 28 -2.047 -27.270 -3.507 1.00 0.00 C ATOM 0 H ILE A 28 0.568 -23.133 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.208 -23.392 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.069 -24.645 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.136 -26.599 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.123 -25.669 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.520 -26.490 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.141 -24.910 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.503 -26.067 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.867 -27.975 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.100 -26.845 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.097 -27.790 -3.383 1.00 0.00 H new ATOM 146 N ALA A 29 -0.346 -24.497 0.640 1.00 0.00 N ATOM 147 CA ALA A 29 -0.352 -24.895 2.065 1.00 0.00 C ATOM 148 C ALA A 29 -1.231 -23.936 2.897 1.00 0.00 C ATOM 149 O ALA A 29 -2.117 -24.379 3.633 1.00 0.00 O ATOM 150 CB ALA A 29 1.085 -24.945 2.628 1.00 0.00 C ATOM 0 H ALA A 29 0.586 -24.297 0.276 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.778 -25.896 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.055 -25.240 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.672 -25.670 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.544 -23.960 2.541 1.00 0.00 H new ATOM 156 N ASP A 30 -0.998 -22.619 2.724 1.00 0.00 N ATOM 157 CA ASP A 30 -1.757 -21.550 3.424 1.00 0.00 C ATOM 158 C ASP A 30 -3.249 -21.629 3.086 1.00 0.00 C ATOM 159 O ASP A 30 -4.101 -21.507 3.965 1.00 0.00 O ATOM 160 CB ASP A 30 -1.231 -20.145 3.036 1.00 0.00 C ATOM 161 CG ASP A 30 0.254 -19.961 3.343 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.087 -20.489 2.587 1.00 0.00 O ATOM 163 OD2 ASP A 30 0.600 -19.307 4.347 1.00 0.00 O ATOM 0 H ASP A 30 -0.279 -22.261 2.096 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.616 -21.704 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.400 -19.980 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.804 -19.388 3.571 1.00 0.00 H new ATOM 168 N LEU A 31 -3.529 -21.853 1.796 1.00 0.00 N ATOM 169 CA LEU A 31 -4.897 -21.941 1.253 1.00 0.00 C ATOM 170 C LEU A 31 -5.711 -23.063 1.952 1.00 0.00 C ATOM 171 O LEU A 31 -6.864 -22.851 2.366 1.00 0.00 O ATOM 172 CB LEU A 31 -4.810 -22.185 -0.282 1.00 0.00 C ATOM 173 CG LEU A 31 -6.152 -22.185 -1.085 1.00 0.00 C ATOM 174 CD1 LEU A 31 -6.853 -20.815 -1.000 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.915 -22.600 -2.558 1.00 0.00 C ATOM 0 H LEU A 31 -2.805 -21.980 1.089 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.422 -21.005 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.161 -21.420 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.320 -23.145 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.813 -22.923 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.783 -20.846 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.072 -20.582 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.201 -20.046 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.863 -22.592 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.226 -21.898 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.488 -23.603 -2.589 1.00 0.00 H new ATOM 187 N GLU A 32 -5.074 -24.238 2.100 1.00 0.00 N ATOM 188 CA GLU A 32 -5.697 -25.433 2.700 1.00 0.00 C ATOM 189 C GLU A 32 -5.871 -25.301 4.231 1.00 0.00 C ATOM 190 O GLU A 32 -6.975 -25.481 4.759 1.00 0.00 O ATOM 191 CB GLU A 32 -4.863 -26.699 2.358 1.00 0.00 C ATOM 192 CG GLU A 32 -4.666 -26.954 0.847 1.00 0.00 C ATOM 193 CD GLU A 32 -5.986 -27.069 0.067 1.00 0.00 C ATOM 194 OE1 GLU A 32 -6.579 -28.163 0.054 1.00 0.00 O ATOM 195 OE2 GLU A 32 -6.446 -26.060 -0.525 1.00 0.00 O ATOM 0 H GLU A 32 -4.109 -24.387 1.806 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.695 -25.528 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.884 -26.610 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.351 -27.569 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.073 -26.143 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.093 -27.872 0.713 1.00 0.00 H new ATOM 202 N ASN A 33 -4.770 -24.976 4.933 1.00 0.00 N ATOM 203 CA ASN A 33 -4.738 -24.967 6.413 1.00 0.00 C ATOM 204 C ASN A 33 -5.551 -23.797 7.014 1.00 0.00 C ATOM 205 O ASN A 33 -6.109 -23.930 8.116 1.00 0.00 O ATOM 206 CB ASN A 33 -3.276 -24.960 6.948 1.00 0.00 C ATOM 207 CG ASN A 33 -2.549 -26.295 6.707 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.674 -27.227 7.497 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.754 -26.385 5.652 1.00 0.00 N ATOM 0 H ASN A 33 -3.885 -24.714 4.499 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.217 -25.890 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.721 -24.156 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.285 -24.744 8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.229 -27.242 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.667 -25.597 5.010 1.00 0.00 H new ATOM 216 N HIS A 34 -5.640 -22.664 6.284 1.00 0.00 N ATOM 217 CA HIS A 34 -6.402 -21.479 6.751 1.00 0.00 C ATOM 218 C HIS A 34 -7.921 -21.737 6.646 1.00 0.00 C ATOM 219 O HIS A 34 -8.708 -21.163 7.402 1.00 0.00 O ATOM 220 CB HIS A 34 -5.998 -20.189 5.989 1.00 0.00 C ATOM 221 CG HIS A 34 -6.400 -18.908 6.682 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.506 -18.129 7.387 1.00 0.00 N ATOM 223 CD2 HIS A 34 -7.592 -18.270 6.775 1.00 0.00 C ATOM 224 CE1 HIS A 34 -6.132 -17.077 7.875 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.397 -17.137 7.520 1.00 0.00 N ATOM 0 H HIS A 34 -5.197 -22.542 5.373 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.150 -21.318 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.917 -20.188 5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.450 -20.210 4.997 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.526 -18.596 6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.681 -16.295 8.468 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.114 -16.453 7.760 1.00 0.00 H new ATOM 234 N ASN A 35 -8.322 -22.609 5.705 1.00 0.00 N ATOM 235 CA ASN A 35 -9.722 -23.071 5.593 1.00 0.00 C ATOM 236 C ASN A 35 -10.147 -23.809 6.887 1.00 0.00 C ATOM 237 O ASN A 35 -11.265 -23.636 7.378 1.00 0.00 O ATOM 238 CB ASN A 35 -9.884 -23.990 4.357 1.00 0.00 C ATOM 239 CG ASN A 35 -11.322 -24.468 4.133 1.00 0.00 C ATOM 240 OD1 ASN A 35 -12.280 -23.746 4.406 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.483 -25.692 3.649 1.00 0.00 N ATOM 0 H ASN A 35 -7.696 -23.011 5.007 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.371 -22.205 5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.545 -23.455 3.470 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.235 -24.858 4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.422 -26.059 3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.668 -26.266 3.433 1.00 0.00 H new ATOM 248 N ASN A 36 -9.211 -24.605 7.441 1.00 0.00 N ATOM 249 CA ASN A 36 -9.396 -25.311 8.730 1.00 0.00 C ATOM 250 C ASN A 36 -9.435 -24.304 9.908 1.00 0.00 C ATOM 251 O ASN A 36 -10.123 -24.526 10.911 1.00 0.00 O ATOM 252 CB ASN A 36 -8.263 -26.345 8.939 1.00 0.00 C ATOM 253 CG ASN A 36 -8.352 -27.084 10.277 1.00 0.00 C ATOM 254 OD1 ASN A 36 -7.748 -26.674 11.273 1.00 0.00 O ATOM 255 ND2 ASN A 36 -9.133 -28.154 10.323 1.00 0.00 N ATOM 0 H ASN A 36 -8.303 -24.778 7.009 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.350 -25.837 8.702 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.292 -27.073 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.301 -25.836 8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.248 -28.664 11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.619 -28.467 9.483 1.00 0.00 H new ATOM 262 N ASP A 37 -8.682 -23.198 9.764 1.00 0.00 N ATOM 263 CA ASP A 37 -8.676 -22.067 10.730 1.00 0.00 C ATOM 264 C ASP A 37 -10.048 -21.343 10.763 1.00 0.00 C ATOM 265 O ASP A 37 -10.375 -20.656 11.736 1.00 0.00 O ATOM 266 CB ASP A 37 -7.512 -21.097 10.356 1.00 0.00 C ATOM 267 CG ASP A 37 -7.564 -19.710 11.031 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.333 -19.623 12.256 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.836 -18.698 10.337 1.00 0.00 O ATOM 0 H ASP A 37 -8.055 -23.056 8.972 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.511 -22.448 11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.567 -21.574 10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.512 -20.957 9.275 1.00 0.00 H new ATOM 274 N GLY A 38 -10.855 -21.531 9.706 1.00 0.00 N ATOM 275 CA GLY A 38 -12.218 -20.973 9.635 1.00 0.00 C ATOM 276 C GLY A 38 -12.353 -19.882 8.585 1.00 0.00 C ATOM 277 O GLY A 38 -13.415 -19.263 8.459 1.00 0.00 O ATOM 0 H GLY A 38 -10.585 -22.069 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.923 -21.774 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.492 -20.569 10.610 1.00 0.00 H new ATOM 281 N GLY A 39 -11.268 -19.649 7.834 1.00 0.00 N ATOM 282 CA GLY A 39 -11.249 -18.676 6.748 1.00 0.00 C ATOM 283 C GLY A 39 -11.119 -19.357 5.400 1.00 0.00 C ATOM 284 O GLY A 39 -10.001 -19.686 4.978 1.00 0.00 O ATOM 0 H GLY A 39 -10.381 -20.134 7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.164 -18.084 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.418 -17.985 6.890 1.00 0.00 H new ATOM 288 N PHE A 40 -12.263 -19.586 4.726 1.00 0.00 N ATOM 289 CA PHE A 40 -12.278 -20.185 3.387 1.00 0.00 C ATOM 290 C PHE A 40 -11.845 -19.122 2.367 1.00 0.00 C ATOM 291 O PHE A 40 -12.505 -18.084 2.217 1.00 0.00 O ATOM 292 CB PHE A 40 -13.677 -20.752 3.013 1.00 0.00 C ATOM 293 CG PHE A 40 -13.726 -21.402 1.619 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.191 -22.673 1.404 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.303 -20.747 0.529 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.223 -23.259 0.149 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.335 -21.334 -0.725 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.802 -22.593 -0.912 1.00 0.00 C ATOM 0 H PHE A 40 -13.188 -19.363 5.092 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.584 -21.026 3.378 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -13.972 -21.490 3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.409 -19.946 3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -12.745 -23.208 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.732 -19.765 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.794 -24.239 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.777 -20.806 -1.557 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.838 -23.056 -1.887 1.00 0.00 H new ATOM 308 N TRP A 41 -10.715 -19.388 1.714 1.00 0.00 N ATOM 309 CA TRP A 41 -10.136 -18.525 0.682 1.00 0.00 C ATOM 310 C TRP A 41 -10.379 -19.136 -0.712 1.00 0.00 C ATOM 311 O TRP A 41 -11.007 -20.195 -0.840 1.00 0.00 O ATOM 312 CB TRP A 41 -8.614 -18.353 0.948 1.00 0.00 C ATOM 313 CG TRP A 41 -8.242 -17.501 2.144 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.057 -16.697 2.888 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.932 -17.360 2.708 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.335 -16.050 3.853 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.030 -16.441 3.759 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.679 -17.916 2.410 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.932 -16.064 4.520 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.591 -17.543 3.171 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.724 -16.622 4.211 1.00 0.00 C ATOM 0 H TRP A 41 -10.163 -20.228 1.890 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.613 -17.545 0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.174 -19.342 1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.157 -17.917 0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.121 -16.587 2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.709 -15.386 4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.569 -18.622 1.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.029 -15.354 5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.622 -17.970 2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.852 -16.344 4.785 1.00 0.00 H new ATOM 332 N THR A 42 -9.889 -18.438 -1.748 1.00 0.00 N ATOM 333 CA THR A 42 -9.846 -18.948 -3.131 1.00 0.00 C ATOM 334 C THR A 42 -8.738 -18.219 -3.904 1.00 0.00 C ATOM 335 O THR A 42 -8.318 -17.120 -3.512 1.00 0.00 O ATOM 336 CB THR A 42 -11.216 -18.780 -3.883 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.187 -19.489 -5.137 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.558 -17.302 -4.145 1.00 0.00 C ATOM 0 H THR A 42 -9.508 -17.497 -1.651 1.00 0.00 H new ATOM 0 HA THR A 42 -9.640 -20.017 -3.080 1.00 0.00 H new ATOM 0 HB THR A 42 -11.988 -19.196 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.104 -19.654 -5.441 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.513 -17.236 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.626 -16.770 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.778 -16.851 -4.758 1.00 0.00 H new ATOM 346 N VAL A 43 -8.279 -18.834 -4.999 1.00 0.00 N ATOM 347 CA VAL A 43 -7.263 -18.257 -5.889 1.00 0.00 C ATOM 348 C VAL A 43 -7.927 -17.829 -7.205 1.00 0.00 C ATOM 349 O VAL A 43 -8.401 -18.679 -7.970 1.00 0.00 O ATOM 350 CB VAL A 43 -6.109 -19.282 -6.172 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.056 -18.689 -7.143 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.464 -19.742 -4.847 1.00 0.00 C ATOM 0 H VAL A 43 -8.604 -19.754 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.823 -17.388 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.538 -20.157 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.270 -19.423 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.535 -18.436 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.622 -17.790 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.665 -20.453 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.053 -18.879 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.218 -20.220 -4.222 1.00 0.00 H new ATOM 362 N ILE A 44 -7.994 -16.507 -7.440 1.00 0.00 N ATOM 363 CA ILE A 44 -8.514 -15.908 -8.689 1.00 0.00 C ATOM 364 C ILE A 44 -7.631 -14.696 -9.060 1.00 0.00 C ATOM 365 O ILE A 44 -7.271 -13.906 -8.179 1.00 0.00 O ATOM 366 CB ILE A 44 -10.031 -15.459 -8.561 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.950 -16.675 -8.196 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.529 -14.761 -9.856 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.437 -16.384 -8.118 1.00 0.00 C ATOM 0 H ILE A 44 -7.685 -15.812 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.477 -16.666 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.089 -14.734 -7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.792 -17.460 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.627 -17.074 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.571 -14.467 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.923 -13.876 -10.049 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.443 -15.450 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.973 -17.297 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.620 -15.627 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.787 -16.019 -9.083 1.00 0.00 H new ATOM 381 N ASP A 45 -7.265 -14.589 -10.361 1.00 0.00 N ATOM 382 CA ASP A 45 -6.487 -13.452 -10.933 1.00 0.00 C ATOM 383 C ASP A 45 -5.066 -13.375 -10.305 1.00 0.00 C ATOM 384 O ASP A 45 -4.458 -12.304 -10.189 1.00 0.00 O ATOM 385 CB ASP A 45 -7.312 -12.125 -10.760 1.00 0.00 C ATOM 386 CG ASP A 45 -6.686 -10.877 -11.411 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.499 -10.865 -12.645 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.372 -9.900 -10.684 1.00 0.00 O ATOM 0 H ASP A 45 -7.503 -15.297 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.329 -13.608 -12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.306 -12.276 -11.181 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.443 -11.933 -9.695 1.00 0.00 H new ATOM 393 N GLY A 46 -4.521 -14.562 -9.955 1.00 0.00 N ATOM 394 CA GLY A 46 -3.203 -14.680 -9.311 1.00 0.00 C ATOM 395 C GLY A 46 -3.172 -14.083 -7.905 1.00 0.00 C ATOM 396 O GLY A 46 -2.111 -13.736 -7.384 1.00 0.00 O ATOM 0 H GLY A 46 -4.983 -15.458 -10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.922 -15.732 -9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.457 -14.181 -9.929 1.00 0.00 H new ATOM 400 N LYS A 47 -4.363 -13.951 -7.305 1.00 0.00 N ATOM 401 CA LYS A 47 -4.572 -13.353 -5.982 1.00 0.00 C ATOM 402 C LYS A 47 -5.399 -14.307 -5.124 1.00 0.00 C ATOM 403 O LYS A 47 -6.045 -15.224 -5.643 1.00 0.00 O ATOM 404 CB LYS A 47 -5.308 -11.991 -6.121 1.00 0.00 C ATOM 405 CG LYS A 47 -4.516 -10.887 -6.849 1.00 0.00 C ATOM 406 CD LYS A 47 -3.349 -10.333 -6.008 1.00 0.00 C ATOM 407 CE LYS A 47 -2.508 -9.293 -6.764 1.00 0.00 C ATOM 408 NZ LYS A 47 -3.340 -8.169 -7.268 1.00 0.00 N ATOM 0 H LYS A 47 -5.230 -14.266 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.606 -13.180 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.245 -12.155 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.567 -11.633 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.126 -11.284 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.192 -10.071 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.746 -9.881 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.706 -11.158 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.733 -8.904 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.002 -9.774 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.724 -7.433 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.985 -8.518 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.894 -7.769 -6.484 1.00 0.00 H new ATOM 422 N VAL A 48 -5.379 -14.081 -3.807 1.00 0.00 N ATOM 423 CA VAL A 48 -6.141 -14.869 -2.838 1.00 0.00 C ATOM 424 C VAL A 48 -7.117 -13.948 -2.103 1.00 0.00 C ATOM 425 O VAL A 48 -6.698 -12.984 -1.454 1.00 0.00 O ATOM 426 CB VAL A 48 -5.201 -15.599 -1.817 1.00 0.00 C ATOM 427 CG1 VAL A 48 -6.000 -16.391 -0.761 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.212 -16.521 -2.557 1.00 0.00 C ATOM 0 H VAL A 48 -4.827 -13.337 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.693 -15.641 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.636 -14.832 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.310 -16.881 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.643 -15.709 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.613 -17.143 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.568 -17.019 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.766 -17.269 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.602 -15.928 -3.238 1.00 0.00 H new ATOM 438 N TYR A 49 -8.416 -14.245 -2.237 1.00 0.00 N ATOM 439 CA TYR A 49 -9.496 -13.458 -1.625 1.00 0.00 C ATOM 440 C TYR A 49 -10.186 -14.280 -0.534 1.00 0.00 C ATOM 441 O TYR A 49 -10.287 -15.509 -0.646 1.00 0.00 O ATOM 442 CB TYR A 49 -10.532 -13.024 -2.686 1.00 0.00 C ATOM 443 CG TYR A 49 -9.960 -12.165 -3.831 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.349 -12.758 -4.941 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.030 -10.768 -3.800 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.836 -11.993 -5.968 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.514 -10.002 -4.830 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.914 -10.620 -5.909 1.00 0.00 C ATOM 449 OH TYR A 49 -8.395 -9.860 -6.938 1.00 0.00 O ATOM 0 H TYR A 49 -8.750 -15.043 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.059 -12.562 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.990 -13.916 -3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.326 -12.464 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.278 -13.834 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.495 -10.279 -2.957 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.373 -12.471 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.580 -8.925 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.532 -8.909 -6.744 1.00 0.00 H new ATOM 459 N ASP A 50 -10.674 -13.585 0.504 1.00 0.00 N ATOM 460 CA ASP A 50 -11.364 -14.207 1.643 1.00 0.00 C ATOM 461 C ASP A 50 -12.857 -14.357 1.306 1.00 0.00 C ATOM 462 O ASP A 50 -13.618 -13.384 1.377 1.00 0.00 O ATOM 463 CB ASP A 50 -11.160 -13.354 2.932 1.00 0.00 C ATOM 464 CG ASP A 50 -11.425 -14.131 4.239 1.00 0.00 C ATOM 465 OD1 ASP A 50 -12.561 -14.603 4.454 1.00 0.00 O ATOM 466 OD2 ASP A 50 -10.486 -14.283 5.056 1.00 0.00 O ATOM 0 H ASP A 50 -10.601 -12.570 0.577 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.945 -15.195 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.139 -12.973 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.822 -12.489 2.893 1.00 0.00 H new ATOM 471 N ILE A 51 -13.251 -15.577 0.921 1.00 0.00 N ATOM 472 CA ILE A 51 -14.637 -15.897 0.527 1.00 0.00 C ATOM 473 C ILE A 51 -15.559 -16.021 1.747 1.00 0.00 C ATOM 474 O ILE A 51 -16.754 -15.729 1.644 1.00 0.00 O ATOM 475 CB ILE A 51 -14.691 -17.207 -0.352 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.012 -16.962 -1.725 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.135 -17.748 -0.549 1.00 0.00 C ATOM 478 CD1 ILE A 51 -14.699 -15.911 -2.587 1.00 0.00 C ATOM 0 H ILE A 51 -12.619 -16.376 0.872 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.001 -15.066 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.143 -17.975 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.979 -16.658 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.982 -17.903 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.106 -18.649 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.571 -17.983 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.742 -16.991 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.160 -15.803 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.724 -16.220 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.706 -14.956 -2.061 1.00 0.00 H new ATOM 490 N LYS A 52 -14.997 -16.440 2.897 1.00 0.00 N ATOM 491 CA LYS A 52 -15.769 -16.624 4.142 1.00 0.00 C ATOM 492 C LYS A 52 -16.374 -15.268 4.567 1.00 0.00 C ATOM 493 O LYS A 52 -17.566 -15.174 4.882 1.00 0.00 O ATOM 494 CB LYS A 52 -14.857 -17.231 5.255 1.00 0.00 C ATOM 495 CG LYS A 52 -15.582 -17.912 6.450 1.00 0.00 C ATOM 496 CD LYS A 52 -16.321 -16.947 7.409 1.00 0.00 C ATOM 497 CE LYS A 52 -15.393 -15.907 8.063 1.00 0.00 C ATOM 498 NZ LYS A 52 -14.297 -16.542 8.833 1.00 0.00 N ATOM 0 H LYS A 52 -14.005 -16.659 2.990 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.586 -17.326 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.197 -17.965 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.223 -16.436 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.302 -18.630 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.849 -18.478 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.105 -16.428 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.812 -17.528 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.968 -15.265 7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.976 -15.267 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.347 -16.235 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.393 -17.576 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.381 -16.260 8.430 1.00 0.00 H new ATOM 512 N ASP A 53 -15.536 -14.226 4.561 1.00 0.00 N ATOM 513 CA ASP A 53 -15.965 -12.863 4.905 1.00 0.00 C ATOM 514 C ASP A 53 -16.802 -12.254 3.760 1.00 0.00 C ATOM 515 O ASP A 53 -17.759 -11.525 4.015 1.00 0.00 O ATOM 516 CB ASP A 53 -14.749 -11.961 5.224 1.00 0.00 C ATOM 517 CG ASP A 53 -15.169 -10.579 5.768 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.579 -10.493 6.941 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.096 -9.577 5.039 1.00 0.00 O ATOM 0 H ASP A 53 -14.548 -14.301 4.320 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.587 -12.921 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.113 -12.459 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.152 -11.827 4.322 1.00 0.00 H new ATOM 524 N PHE A 54 -16.425 -12.582 2.499 1.00 0.00 N ATOM 525 CA PHE A 54 -17.134 -12.125 1.275 1.00 0.00 C ATOM 526 C PHE A 54 -18.639 -12.443 1.353 1.00 0.00 C ATOM 527 O PHE A 54 -19.490 -11.558 1.194 1.00 0.00 O ATOM 528 CB PHE A 54 -16.503 -12.796 0.020 1.00 0.00 C ATOM 529 CG PHE A 54 -17.117 -12.410 -1.325 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.260 -13.055 -1.814 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.557 -11.401 -2.100 1.00 0.00 C ATOM 532 CE1 PHE A 54 -18.813 -12.699 -3.025 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.114 -11.052 -3.312 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.241 -11.697 -3.771 1.00 0.00 C ATOM 0 H PHE A 54 -15.618 -13.173 2.301 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.025 -11.043 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.441 -12.551 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.578 -13.877 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.715 -13.844 -1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.676 -10.885 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.695 -13.207 -3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.664 -10.269 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.676 -11.415 -4.719 1.00 0.00 H new ATOM 544 N GLN A 55 -18.937 -13.722 1.620 1.00 0.00 N ATOM 545 CA GLN A 55 -20.313 -14.234 1.672 1.00 0.00 C ATOM 546 C GLN A 55 -21.084 -13.641 2.866 1.00 0.00 C ATOM 547 O GLN A 55 -22.297 -13.482 2.787 1.00 0.00 O ATOM 548 CB GLN A 55 -20.317 -15.781 1.694 1.00 0.00 C ATOM 549 CG GLN A 55 -19.629 -16.416 2.909 1.00 0.00 C ATOM 550 CD GLN A 55 -19.461 -17.931 2.801 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.324 -18.697 3.224 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.349 -18.370 2.223 1.00 0.00 N ATOM 0 H GLN A 55 -18.229 -14.432 1.806 1.00 0.00 H new ATOM 0 HA GLN A 55 -20.832 -13.915 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.350 -16.127 1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.829 -16.143 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.648 -15.959 3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.208 -16.187 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.654 -17.705 1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.190 -19.372 2.119 1.00 0.00 H new ATOM 561 N THR A 56 -20.366 -13.286 3.953 1.00 0.00 N ATOM 562 CA THR A 56 -20.973 -12.621 5.127 1.00 0.00 C ATOM 563 C THR A 56 -21.526 -11.228 4.733 1.00 0.00 C ATOM 564 O THR A 56 -22.620 -10.832 5.157 1.00 0.00 O ATOM 565 CB THR A 56 -19.935 -12.477 6.290 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.312 -13.747 6.555 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.571 -11.961 7.597 1.00 0.00 C ATOM 0 H THR A 56 -19.363 -13.449 4.042 1.00 0.00 H new ATOM 0 HA THR A 56 -21.796 -13.243 5.477 1.00 0.00 H new ATOM 0 HB THR A 56 -19.199 -11.744 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.717 -13.981 5.812 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.804 -11.881 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.015 -10.981 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.344 -12.656 7.925 1.00 0.00 H new ATOM 575 N GLN A 57 -20.759 -10.507 3.887 1.00 0.00 N ATOM 576 CA GLN A 57 -21.155 -9.187 3.359 1.00 0.00 C ATOM 577 C GLN A 57 -22.280 -9.352 2.319 1.00 0.00 C ATOM 578 O GLN A 57 -23.166 -8.510 2.196 1.00 0.00 O ATOM 579 CB GLN A 57 -19.930 -8.464 2.724 1.00 0.00 C ATOM 580 CG GLN A 57 -18.634 -8.507 3.561 1.00 0.00 C ATOM 581 CD GLN A 57 -18.777 -7.985 4.989 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.552 -7.067 5.263 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.044 -8.588 5.915 1.00 0.00 N ATOM 0 H GLN A 57 -19.849 -10.825 3.552 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.524 -8.576 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.729 -8.911 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.195 -7.422 2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.277 -9.536 3.599 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.869 -7.923 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -17.413 -9.345 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.112 -8.295 6.890 1.00 0.00 H new ATOM 592 N SER A 58 -22.238 -10.481 1.599 1.00 0.00 N ATOM 593 CA SER A 58 -23.246 -10.845 0.591 1.00 0.00 C ATOM 594 C SER A 58 -24.606 -11.153 1.246 1.00 0.00 C ATOM 595 O SER A 58 -25.652 -10.975 0.625 1.00 0.00 O ATOM 596 CB SER A 58 -22.725 -12.042 -0.235 1.00 0.00 C ATOM 597 OG SER A 58 -23.618 -12.430 -1.265 1.00 0.00 O ATOM 0 H SER A 58 -21.497 -11.175 1.700 1.00 0.00 H new ATOM 0 HA SER A 58 -23.408 -10.000 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 58 -21.762 -11.782 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.554 -12.889 0.429 1.00 0.00 H new ATOM 0 HG SER A 58 -23.838 -11.651 -1.818 1.00 0.00 H new ATOM 603 N LEU A 59 -24.570 -11.603 2.512 1.00 0.00 N ATOM 604 CA LEU A 59 -25.783 -11.862 3.321 1.00 0.00 C ATOM 605 C LEU A 59 -26.351 -10.558 3.929 1.00 0.00 C ATOM 606 O LEU A 59 -27.502 -10.531 4.392 1.00 0.00 O ATOM 607 CB LEU A 59 -25.467 -12.891 4.441 1.00 0.00 C ATOM 608 CG LEU A 59 -25.049 -14.317 3.957 1.00 0.00 C ATOM 609 CD1 LEU A 59 -24.660 -15.225 5.142 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.147 -14.964 3.082 1.00 0.00 C ATOM 0 H LEU A 59 -23.700 -11.799 3.008 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.545 -12.275 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.666 -12.489 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -26.346 -12.987 5.078 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.163 -14.201 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.375 -16.209 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -23.820 -14.783 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -25.510 -15.326 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -25.822 -15.954 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -27.067 -15.052 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.327 -14.342 2.205 1.00 0.00 H new ATOM 622 N THR A 60 -25.537 -9.488 3.924 1.00 0.00 N ATOM 623 CA THR A 60 -25.915 -8.186 4.493 1.00 0.00 C ATOM 624 C THR A 60 -26.587 -7.307 3.419 1.00 0.00 C ATOM 625 O THR A 60 -25.999 -7.080 2.358 1.00 0.00 O ATOM 626 CB THR A 60 -24.653 -7.457 5.061 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.976 -8.309 6.004 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.000 -6.109 5.724 1.00 0.00 C ATOM 0 H THR A 60 -24.598 -9.503 3.525 1.00 0.00 H new ATOM 0 HA THR A 60 -26.623 -8.356 5.305 1.00 0.00 H new ATOM 0 HB THR A 60 -23.997 -7.243 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.600 -9.083 5.534 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.089 -5.644 6.102 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.466 -5.452 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.691 -6.277 6.550 1.00 0.00 H new ATOM 636 N GLU A 61 -27.814 -6.827 3.712 1.00 0.00 N ATOM 637 CA GLU A 61 -28.561 -5.889 2.848 1.00 0.00 C ATOM 638 C GLU A 61 -27.811 -4.538 2.748 1.00 0.00 C ATOM 639 O GLU A 61 -27.115 -4.132 3.695 1.00 0.00 O ATOM 640 CB GLU A 61 -30.007 -5.679 3.410 1.00 0.00 C ATOM 641 CG GLU A 61 -30.932 -4.747 2.585 1.00 0.00 C ATOM 642 CD GLU A 61 -31.125 -5.212 1.124 1.00 0.00 C ATOM 643 OE1 GLU A 61 -31.871 -6.187 0.893 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.522 -4.616 0.203 1.00 0.00 O ATOM 0 H GLU A 61 -28.318 -7.082 4.562 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.636 -6.313 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.488 -6.654 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.927 -5.277 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.905 -4.690 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.515 -3.740 2.586 1.00 0.00 H new ATOM 651 N ASN A 62 -27.948 -3.882 1.574 1.00 0.00 N ATOM 652 CA ASN A 62 -27.313 -2.579 1.236 1.00 0.00 C ATOM 653 C ASN A 62 -25.809 -2.709 0.924 1.00 0.00 C ATOM 654 O ASN A 62 -25.166 -1.716 0.556 1.00 0.00 O ATOM 655 CB ASN A 62 -27.564 -1.478 2.316 1.00 0.00 C ATOM 656 CG ASN A 62 -29.043 -1.149 2.541 1.00 0.00 C ATOM 657 OD1 ASN A 62 -29.864 -1.241 1.627 1.00 0.00 O ATOM 658 ND2 ASN A 62 -29.387 -0.735 3.754 1.00 0.00 N ATOM 0 H ASN A 62 -28.518 -4.250 0.812 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.809 -2.253 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.128 -1.804 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.041 -0.568 2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -30.355 -0.482 3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.683 -0.670 4.489 1.00 0.00 H new ATOM 665 N SER A 63 -25.254 -3.929 1.064 1.00 0.00 N ATOM 666 CA SER A 63 -23.881 -4.241 0.644 1.00 0.00 C ATOM 667 C SER A 63 -23.870 -4.502 -0.868 1.00 0.00 C ATOM 668 O SER A 63 -24.855 -4.995 -1.425 1.00 0.00 O ATOM 669 CB SER A 63 -23.359 -5.475 1.411 1.00 0.00 C ATOM 670 OG SER A 63 -23.361 -5.249 2.813 1.00 0.00 O ATOM 0 H SER A 63 -25.748 -4.723 1.472 1.00 0.00 H new ATOM 0 HA SER A 63 -23.226 -3.399 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.980 -6.340 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.348 -5.711 1.080 1.00 0.00 H new ATOM 0 HG SER A 63 -22.642 -5.768 3.229 1.00 0.00 H new ATOM 676 N ILE A 64 -22.745 -4.191 -1.513 1.00 0.00 N ATOM 677 CA ILE A 64 -22.567 -4.354 -2.970 1.00 0.00 C ATOM 678 C ILE A 64 -22.693 -5.829 -3.420 1.00 0.00 C ATOM 679 O ILE A 64 -22.901 -6.106 -4.596 1.00 0.00 O ATOM 680 CB ILE A 64 -21.162 -3.819 -3.421 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.018 -4.582 -2.677 1.00 0.00 C ATOM 682 CG2 ILE A 64 -21.049 -2.293 -3.217 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.629 -4.345 -3.211 1.00 0.00 C ATOM 0 H ILE A 64 -21.922 -3.816 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.364 -3.777 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.054 -4.009 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.038 -4.296 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.228 -5.651 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -20.064 -1.955 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.816 -1.789 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.187 -2.056 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.911 -4.920 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.581 -4.659 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.388 -3.284 -3.141 1.00 0.00 H new ATOM 695 N LEU A 65 -22.522 -6.764 -2.468 1.00 0.00 N ATOM 696 CA LEU A 65 -22.539 -8.211 -2.736 1.00 0.00 C ATOM 697 C LEU A 65 -23.932 -8.820 -2.490 1.00 0.00 C ATOM 698 O LEU A 65 -24.157 -9.987 -2.811 1.00 0.00 O ATOM 699 CB LEU A 65 -21.485 -8.909 -1.847 1.00 0.00 C ATOM 700 CG LEU A 65 -20.041 -8.340 -1.918 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.105 -9.105 -0.964 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.508 -8.329 -3.371 1.00 0.00 C ATOM 0 H LEU A 65 -22.367 -6.534 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.297 -8.367 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.822 -8.858 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.451 -9.964 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.069 -7.302 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.099 -8.690 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.470 -9.009 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.082 -10.158 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.496 -7.925 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.498 -9.346 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.155 -7.708 -3.991 1.00 0.00 H new ATOM 714 N ALA A 66 -24.856 -8.026 -1.911 1.00 0.00 N ATOM 715 CA ALA A 66 -26.238 -8.475 -1.602 1.00 0.00 C ATOM 716 C ALA A 66 -27.054 -8.726 -2.889 1.00 0.00 C ATOM 717 O ALA A 66 -28.011 -9.508 -2.891 1.00 0.00 O ATOM 718 CB ALA A 66 -26.934 -7.447 -0.700 1.00 0.00 C ATOM 0 H ALA A 66 -24.671 -7.059 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.177 -9.424 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -27.947 -7.784 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.375 -7.341 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -26.975 -6.484 -1.210 1.00 0.00 H new ATOM 724 N GLN A 67 -26.663 -8.037 -3.975 1.00 0.00 N ATOM 725 CA GLN A 67 -27.222 -8.248 -5.330 1.00 0.00 C ATOM 726 C GLN A 67 -26.662 -9.544 -5.967 1.00 0.00 C ATOM 727 O GLN A 67 -27.253 -10.095 -6.900 1.00 0.00 O ATOM 728 CB GLN A 67 -26.913 -7.012 -6.217 1.00 0.00 C ATOM 729 CG GLN A 67 -25.409 -6.727 -6.398 1.00 0.00 C ATOM 730 CD GLN A 67 -25.114 -5.380 -7.058 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.991 -5.278 -8.281 1.00 0.00 O ATOM 732 NE2 GLN A 67 -25.009 -4.335 -6.247 1.00 0.00 N ATOM 0 H GLN A 67 -25.946 -7.312 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.303 -8.365 -5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.364 -7.160 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.388 -6.135 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.922 -6.758 -5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.968 -7.521 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.117 -4.458 -5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.821 -3.409 -6.630 1.00 0.00 H new ATOM 741 N PHE A 68 -25.509 -10.014 -5.448 1.00 0.00 N ATOM 742 CA PHE A 68 -24.841 -11.258 -5.892 1.00 0.00 C ATOM 743 C PHE A 68 -25.086 -12.409 -4.885 1.00 0.00 C ATOM 744 O PHE A 68 -24.435 -13.453 -4.964 1.00 0.00 O ATOM 745 CB PHE A 68 -23.309 -11.005 -6.031 1.00 0.00 C ATOM 746 CG PHE A 68 -22.909 -9.908 -7.022 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.230 -10.016 -8.375 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.188 -8.782 -6.608 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.862 -9.030 -9.275 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.821 -7.796 -7.512 1.00 0.00 C ATOM 751 CZ PHE A 68 -22.155 -7.925 -8.845 1.00 0.00 C ATOM 0 H PHE A 68 -25.008 -9.535 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.259 -11.549 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.911 -10.747 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.831 -11.936 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.773 -10.881 -8.726 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.913 -8.679 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -23.129 -9.126 -10.317 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.274 -6.928 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.863 -7.162 -9.551 1.00 0.00 H new ATOM 761 N ALA A 69 -26.042 -12.210 -3.952 1.00 0.00 N ATOM 762 CA ALA A 69 -26.322 -13.168 -2.855 1.00 0.00 C ATOM 763 C ALA A 69 -26.961 -14.474 -3.361 1.00 0.00 C ATOM 764 O ALA A 69 -26.828 -15.528 -2.719 1.00 0.00 O ATOM 765 CB ALA A 69 -27.212 -12.500 -1.806 1.00 0.00 C ATOM 0 H ALA A 69 -26.641 -11.384 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.369 -13.444 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.417 -13.205 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.704 -11.625 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.151 -12.193 -2.267 1.00 0.00 H new ATOM 771 N GLY A 70 -27.659 -14.395 -4.511 1.00 0.00 N ATOM 772 CA GLY A 70 -28.252 -15.577 -5.150 1.00 0.00 C ATOM 773 C GLY A 70 -27.239 -16.368 -5.981 1.00 0.00 C ATOM 774 O GLY A 70 -27.565 -17.425 -6.528 1.00 0.00 O ATOM 0 H GLY A 70 -27.824 -13.523 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.674 -16.227 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.076 -15.264 -5.791 1.00 0.00 H new ATOM 778 N GLU A 71 -26.003 -15.845 -6.078 1.00 0.00 N ATOM 779 CA GLU A 71 -24.904 -16.458 -6.839 1.00 0.00 C ATOM 780 C GLU A 71 -23.852 -17.042 -5.875 1.00 0.00 C ATOM 781 O GLU A 71 -23.702 -16.557 -4.748 1.00 0.00 O ATOM 782 CB GLU A 71 -24.277 -15.383 -7.775 1.00 0.00 C ATOM 783 CG GLU A 71 -23.168 -15.892 -8.716 1.00 0.00 C ATOM 784 CD GLU A 71 -23.622 -17.045 -9.631 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.367 -16.791 -10.603 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.249 -18.209 -9.377 1.00 0.00 O ATOM 0 H GLU A 71 -25.738 -14.972 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.284 -17.278 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.071 -14.945 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.868 -14.583 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.818 -15.065 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.319 -16.225 -8.118 1.00 0.00 H new ATOM 793 N ASP A 72 -23.161 -18.109 -6.326 1.00 0.00 N ATOM 794 CA ASP A 72 -22.034 -18.720 -5.600 1.00 0.00 C ATOM 795 C ASP A 72 -20.941 -17.664 -5.307 1.00 0.00 C ATOM 796 O ASP A 72 -20.471 -17.028 -6.241 1.00 0.00 O ATOM 797 CB ASP A 72 -21.446 -19.886 -6.438 1.00 0.00 C ATOM 798 CG ASP A 72 -22.317 -21.153 -6.412 1.00 0.00 C ATOM 799 OD1 ASP A 72 -23.277 -21.255 -7.204 1.00 0.00 O ATOM 800 OD2 ASP A 72 -22.059 -22.046 -5.578 1.00 0.00 O ATOM 0 H ASP A 72 -23.372 -18.572 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.395 -19.110 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.325 -19.558 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.452 -20.129 -6.062 1.00 0.00 H new ATOM 805 N PRO A 73 -20.527 -17.471 -4.005 1.00 0.00 N ATOM 806 CA PRO A 73 -19.585 -16.385 -3.589 1.00 0.00 C ATOM 807 C PRO A 73 -18.268 -16.300 -4.414 1.00 0.00 C ATOM 808 O PRO A 73 -17.740 -15.209 -4.641 1.00 0.00 O ATOM 809 CB PRO A 73 -19.286 -16.729 -2.113 1.00 0.00 C ATOM 810 CG PRO A 73 -20.506 -17.456 -1.641 1.00 0.00 C ATOM 811 CD PRO A 73 -20.965 -18.278 -2.822 1.00 0.00 C ATOM 0 HA PRO A 73 -20.035 -15.405 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.395 -17.350 -2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.108 -15.829 -1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.278 -18.091 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.281 -16.758 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.510 -19.269 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.045 -18.423 -2.814 1.00 0.00 H new ATOM 819 N VAL A 74 -17.763 -17.461 -4.866 1.00 0.00 N ATOM 820 CA VAL A 74 -16.515 -17.546 -5.664 1.00 0.00 C ATOM 821 C VAL A 74 -16.740 -16.969 -7.088 1.00 0.00 C ATOM 822 O VAL A 74 -15.882 -16.266 -7.629 1.00 0.00 O ATOM 823 CB VAL A 74 -15.983 -19.031 -5.739 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.627 -19.122 -6.488 1.00 0.00 C ATOM 825 CG2 VAL A 74 -15.860 -19.642 -4.320 1.00 0.00 C ATOM 0 H VAL A 74 -18.201 -18.366 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.754 -16.947 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.712 -19.608 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.296 -20.160 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.748 -18.751 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.883 -18.519 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.492 -20.665 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.164 -19.048 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.838 -19.643 -3.838 1.00 0.00 H new ATOM 835 N VAL A 75 -17.929 -17.253 -7.653 1.00 0.00 N ATOM 836 CA VAL A 75 -18.352 -16.756 -8.989 1.00 0.00 C ATOM 837 C VAL A 75 -18.711 -15.256 -8.907 1.00 0.00 C ATOM 838 O VAL A 75 -18.380 -14.459 -9.793 1.00 0.00 O ATOM 839 CB VAL A 75 -19.595 -17.563 -9.531 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.004 -17.100 -10.951 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.332 -19.088 -9.498 1.00 0.00 C ATOM 0 H VAL A 75 -18.631 -17.836 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.519 -16.898 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.432 -17.352 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.863 -17.679 -11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.266 -16.042 -10.927 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.171 -17.252 -11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.207 -19.616 -9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.468 -19.322 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.135 -19.401 -8.473 1.00 0.00 H new ATOM 851 N ALA A 76 -19.380 -14.905 -7.804 1.00 0.00 N ATOM 852 CA ALA A 76 -19.831 -13.538 -7.493 1.00 0.00 C ATOM 853 C ALA A 76 -18.632 -12.601 -7.277 1.00 0.00 C ATOM 854 O ALA A 76 -18.718 -11.395 -7.526 1.00 0.00 O ATOM 855 CB ALA A 76 -20.732 -13.563 -6.246 1.00 0.00 C ATOM 0 H ALA A 76 -19.631 -15.580 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.403 -13.155 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.065 -12.551 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.599 -14.196 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.171 -13.960 -5.400 1.00 0.00 H new ATOM 861 N LEU A 77 -17.520 -13.187 -6.799 1.00 0.00 N ATOM 862 CA LEU A 77 -16.235 -12.493 -6.629 1.00 0.00 C ATOM 863 C LEU A 77 -15.681 -12.041 -7.992 1.00 0.00 C ATOM 864 O LEU A 77 -15.185 -10.927 -8.123 1.00 0.00 O ATOM 865 CB LEU A 77 -15.232 -13.437 -5.923 1.00 0.00 C ATOM 866 CG LEU A 77 -13.810 -12.862 -5.638 1.00 0.00 C ATOM 867 CD1 LEU A 77 -13.837 -11.744 -4.581 1.00 0.00 C ATOM 868 CD2 LEU A 77 -12.844 -13.985 -5.232 1.00 0.00 C ATOM 0 H LEU A 77 -17.490 -14.167 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.386 -11.605 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.669 -13.750 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.121 -14.333 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.449 -12.413 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.825 -11.375 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.468 -10.927 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.237 -12.137 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.858 -13.564 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.214 -14.475 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.774 -14.714 -6.039 1.00 0.00 H new ATOM 880 N GLU A 78 -15.801 -12.925 -8.998 1.00 0.00 N ATOM 881 CA GLU A 78 -15.343 -12.660 -10.383 1.00 0.00 C ATOM 882 C GLU A 78 -16.163 -11.529 -11.028 1.00 0.00 C ATOM 883 O GLU A 78 -15.613 -10.662 -11.718 1.00 0.00 O ATOM 884 CB GLU A 78 -15.449 -13.951 -11.228 1.00 0.00 C ATOM 885 CG GLU A 78 -14.670 -15.135 -10.642 1.00 0.00 C ATOM 886 CD GLU A 78 -14.813 -16.420 -11.466 1.00 0.00 C ATOM 887 OE1 GLU A 78 -14.198 -16.500 -12.551 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.531 -17.356 -11.036 1.00 0.00 O ATOM 0 H GLU A 78 -16.219 -13.848 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.301 -12.341 -10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.499 -14.229 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.082 -13.748 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.615 -14.870 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.017 -15.322 -9.626 1.00 0.00 H new ATOM 895 N ALA A 79 -17.483 -11.553 -10.773 1.00 0.00 N ATOM 896 CA ALA A 79 -18.426 -10.507 -11.222 1.00 0.00 C ATOM 897 C ALA A 79 -18.133 -9.167 -10.512 1.00 0.00 C ATOM 898 O ALA A 79 -18.328 -8.084 -11.085 1.00 0.00 O ATOM 899 CB ALA A 79 -19.873 -10.962 -10.960 1.00 0.00 C ATOM 0 H ALA A 79 -17.931 -12.303 -10.246 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.297 -10.351 -12.293 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.564 -10.187 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.070 -11.883 -11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.012 -11.138 -9.893 1.00 0.00 H new ATOM 905 N ALA A 80 -17.652 -9.268 -9.262 1.00 0.00 N ATOM 906 CA ALA A 80 -17.273 -8.107 -8.445 1.00 0.00 C ATOM 907 C ALA A 80 -15.931 -7.504 -8.909 1.00 0.00 C ATOM 908 O ALA A 80 -15.729 -6.291 -8.832 1.00 0.00 O ATOM 909 CB ALA A 80 -17.220 -8.507 -6.968 1.00 0.00 C ATOM 0 H ALA A 80 -17.515 -10.161 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.030 -7.333 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.939 -7.642 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.200 -8.865 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.484 -9.299 -6.832 1.00 0.00 H new ATOM 915 N LEU A 81 -15.015 -8.367 -9.391 1.00 0.00 N ATOM 916 CA LEU A 81 -13.734 -7.935 -9.993 1.00 0.00 C ATOM 917 C LEU A 81 -14.001 -7.204 -11.324 1.00 0.00 C ATOM 918 O LEU A 81 -13.368 -6.187 -11.634 1.00 0.00 O ATOM 919 CB LEU A 81 -12.793 -9.155 -10.236 1.00 0.00 C ATOM 920 CG LEU A 81 -12.282 -9.902 -8.961 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.459 -11.157 -9.323 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.476 -8.958 -8.049 1.00 0.00 C ATOM 0 H LEU A 81 -15.140 -9.379 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.240 -7.255 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.319 -9.873 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.927 -8.811 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.161 -10.236 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.122 -11.647 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.079 -11.846 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.594 -10.865 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.134 -9.505 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.615 -8.572 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.108 -8.127 -7.735 1.00 0.00 H new ATOM 934 N GLN A 82 -14.965 -7.748 -12.084 1.00 0.00 N ATOM 935 CA GLN A 82 -15.354 -7.248 -13.412 1.00 0.00 C ATOM 936 C GLN A 82 -15.996 -5.850 -13.333 1.00 0.00 C ATOM 937 O GLN A 82 -15.712 -4.982 -14.167 1.00 0.00 O ATOM 938 CB GLN A 82 -16.329 -8.261 -14.073 1.00 0.00 C ATOM 939 CG GLN A 82 -16.792 -7.892 -15.497 1.00 0.00 C ATOM 940 CD GLN A 82 -17.737 -8.923 -16.125 1.00 0.00 C ATOM 941 OE1 GLN A 82 -17.671 -10.118 -15.823 1.00 0.00 O ATOM 942 NE2 GLN A 82 -18.607 -8.473 -17.018 1.00 0.00 N ATOM 0 H GLN A 82 -15.505 -8.561 -11.788 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.455 -7.151 -14.021 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.845 -9.237 -14.107 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.208 -8.363 -13.437 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.293 -6.924 -15.467 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.916 -7.778 -16.136 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.636 -7.479 -17.246 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.247 -9.121 -17.478 1.00 0.00 H new ATOM 951 N PHE A 83 -16.858 -5.638 -12.326 1.00 0.00 N ATOM 952 CA PHE A 83 -17.614 -4.384 -12.179 1.00 0.00 C ATOM 953 C PHE A 83 -16.794 -3.344 -11.375 1.00 0.00 C ATOM 954 O PHE A 83 -16.321 -3.625 -10.265 1.00 0.00 O ATOM 955 CB PHE A 83 -18.985 -4.684 -11.528 1.00 0.00 C ATOM 956 CG PHE A 83 -19.965 -3.511 -11.457 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.077 -2.592 -12.505 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.795 -3.341 -10.349 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.979 -1.546 -12.439 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.698 -2.298 -10.287 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.789 -1.400 -11.331 1.00 0.00 C ATOM 0 H PHE A 83 -17.050 -6.325 -11.596 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.797 -3.946 -13.160 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.459 -5.494 -12.082 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.812 -5.049 -10.516 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.450 -2.701 -13.378 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.730 -4.037 -9.526 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.050 -0.842 -13.255 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.333 -2.185 -9.421 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.494 -0.583 -11.281 1.00 0.00 H new ATOM 971 N GLU A 84 -16.660 -2.135 -11.964 1.00 0.00 N ATOM 972 CA GLU A 84 -15.767 -1.054 -11.486 1.00 0.00 C ATOM 973 C GLU A 84 -16.114 -0.546 -10.079 1.00 0.00 C ATOM 974 O GLU A 84 -15.226 -0.132 -9.323 1.00 0.00 O ATOM 975 CB GLU A 84 -15.784 0.120 -12.492 1.00 0.00 C ATOM 976 CG GLU A 84 -17.179 0.728 -12.743 1.00 0.00 C ATOM 977 CD GLU A 84 -17.158 1.864 -13.771 1.00 0.00 C ATOM 978 OE1 GLU A 84 -17.149 1.573 -14.985 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.144 3.046 -13.373 1.00 0.00 O ATOM 0 H GLU A 84 -17.180 -1.877 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.767 -1.483 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.120 0.904 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.376 -0.226 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.854 -0.055 -13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.581 1.104 -11.802 1.00 0.00 H new ATOM 986 N ASP A 85 -17.407 -0.575 -9.745 1.00 0.00 N ATOM 987 CA ASP A 85 -17.894 -0.170 -8.422 1.00 0.00 C ATOM 988 C ASP A 85 -17.434 -1.182 -7.365 1.00 0.00 C ATOM 989 O ASP A 85 -16.823 -0.819 -6.358 1.00 0.00 O ATOM 990 CB ASP A 85 -19.440 -0.065 -8.417 1.00 0.00 C ATOM 991 CG ASP A 85 -20.024 0.253 -7.023 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.967 1.425 -6.605 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.548 -0.664 -6.348 1.00 0.00 O ATOM 0 H ASP A 85 -18.144 -0.879 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.481 0.810 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.747 0.711 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.863 -1.004 -8.775 1.00 0.00 H new ATOM 998 N THR A 86 -17.704 -2.458 -7.645 1.00 0.00 N ATOM 999 CA THR A 86 -17.572 -3.547 -6.675 1.00 0.00 C ATOM 1000 C THR A 86 -16.110 -4.010 -6.476 1.00 0.00 C ATOM 1001 O THR A 86 -15.800 -4.657 -5.459 1.00 0.00 O ATOM 1002 CB THR A 86 -18.480 -4.740 -7.113 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.220 -5.058 -8.481 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.979 -4.428 -6.955 1.00 0.00 C ATOM 0 H THR A 86 -18.024 -2.768 -8.562 1.00 0.00 H new ATOM 0 HA THR A 86 -17.898 -3.167 -5.707 1.00 0.00 H new ATOM 0 HB THR A 86 -18.242 -5.582 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.299 -5.381 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.566 -5.290 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.196 -4.207 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.238 -3.566 -7.570 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.203 -3.644 -7.420 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.784 -4.091 -7.377 1.00 0.00 C ATOM 1014 C ARG A 87 -12.972 -3.340 -6.301 1.00 0.00 C ATOM 1015 O ARG A 87 -11.852 -3.739 -5.956 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.094 -3.985 -8.767 1.00 0.00 C ATOM 1017 CG ARG A 87 -13.046 -2.569 -9.381 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.164 -2.493 -10.650 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.385 -1.265 -11.449 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.888 -0.038 -11.185 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -11.171 0.202 -10.097 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -12.107 0.950 -12.037 1.00 0.00 N ATOM 0 H ARG A 87 -15.426 -3.045 -8.215 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.804 -5.145 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.073 -4.357 -8.676 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.613 -4.646 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.059 -2.251 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.665 -1.869 -8.638 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.115 -2.543 -10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.363 -3.364 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.970 -1.356 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.982 -0.550 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.807 1.139 -9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.648 0.781 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.735 1.880 -11.846 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.569 -2.275 -5.758 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.953 -1.419 -4.733 1.00 0.00 C ATOM 1038 C GLU A 88 -12.955 -2.108 -3.355 1.00 0.00 C ATOM 1039 O GLU A 88 -11.983 -2.007 -2.594 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.704 -0.066 -4.714 1.00 0.00 C ATOM 1041 CG GLU A 88 -13.762 0.614 -6.102 1.00 0.00 C ATOM 1042 CD GLU A 88 -12.375 0.999 -6.643 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -11.730 0.177 -7.339 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -11.907 2.117 -6.348 1.00 0.00 O ATOM 0 H GLU A 88 -14.508 -1.977 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.906 -1.240 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.719 -0.226 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.215 0.605 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.248 -0.058 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.381 1.509 -6.036 1.00 0.00 H new ATOM 1051 N SER A 89 -14.044 -2.832 -3.051 1.00 0.00 N ATOM 1052 CA SER A 89 -14.159 -3.627 -1.811 1.00 0.00 C ATOM 1053 C SER A 89 -13.365 -4.941 -1.930 1.00 0.00 C ATOM 1054 O SER A 89 -13.053 -5.564 -0.915 1.00 0.00 O ATOM 1055 CB SER A 89 -15.639 -3.921 -1.507 1.00 0.00 C ATOM 1056 OG SER A 89 -15.830 -4.566 -0.248 1.00 0.00 O ATOM 0 H SER A 89 -14.867 -2.885 -3.652 1.00 0.00 H new ATOM 0 HA SER A 89 -13.738 -3.048 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.200 -2.986 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.049 -4.550 -2.297 1.00 0.00 H new ATOM 0 HG SER A 89 -15.589 -5.513 -0.326 1.00 0.00 H new ATOM 1062 N MET A 90 -13.041 -5.359 -3.174 1.00 0.00 N ATOM 1063 CA MET A 90 -12.213 -6.566 -3.421 1.00 0.00 C ATOM 1064 C MET A 90 -10.781 -6.372 -2.877 1.00 0.00 C ATOM 1065 O MET A 90 -10.094 -7.347 -2.568 1.00 0.00 O ATOM 1066 CB MET A 90 -12.180 -6.920 -4.928 1.00 0.00 C ATOM 1067 CG MET A 90 -13.550 -7.221 -5.559 1.00 0.00 C ATOM 1068 SD MET A 90 -14.431 -8.561 -4.738 1.00 0.00 S ATOM 1069 CE MET A 90 -15.686 -7.694 -3.801 1.00 0.00 C ATOM 0 H MET A 90 -13.339 -4.880 -4.024 1.00 0.00 H new ATOM 0 HA MET A 90 -12.671 -7.399 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.722 -6.092 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.535 -7.788 -5.067 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.163 -6.320 -5.529 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.411 -7.476 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.259 -8.409 -3.211 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.210 -6.973 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.354 -7.171 -4.485 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.357 -5.089 -2.760 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.076 -4.697 -2.122 1.00 0.00 C ATOM 1081 C HIS A 91 -9.058 -5.049 -0.619 1.00 0.00 C ATOM 1082 O HIS A 91 -7.988 -5.250 -0.033 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.800 -3.179 -2.317 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.433 -2.797 -3.726 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -7.128 -2.776 -4.178 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -9.195 -2.430 -4.782 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -7.110 -2.415 -5.445 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.352 -2.205 -5.837 1.00 0.00 N ATOM 0 H HIS A 91 -10.896 -4.295 -3.107 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.285 -5.265 -2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.686 -2.618 -2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.993 -2.879 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.271 -2.332 -4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.228 -2.309 -6.059 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.638 -1.921 -6.774 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.254 -5.103 -0.010 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.432 -5.499 1.399 1.00 0.00 C ATOM 1099 C ALA A 92 -10.354 -7.031 1.552 1.00 0.00 C ATOM 1100 O ALA A 92 -9.826 -7.532 2.550 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.769 -4.964 1.937 1.00 0.00 C ATOM 0 H ALA A 92 -11.128 -4.873 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.623 -5.062 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.888 -5.263 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.780 -3.876 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.589 -5.373 1.346 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.878 -7.772 0.549 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.935 -9.249 0.599 1.00 0.00 C ATOM 1109 C PHE A 93 -9.609 -9.883 0.143 1.00 0.00 C ATOM 1110 O PHE A 93 -9.301 -11.010 0.540 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.114 -9.782 -0.263 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.478 -9.268 0.194 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.997 -9.631 1.435 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.232 -8.414 -0.604 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.220 -9.146 1.856 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.454 -7.928 -0.175 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.949 -8.300 1.051 1.00 0.00 C ATOM 0 H PHE A 93 -11.267 -7.370 -0.304 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.102 -9.535 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.954 -9.494 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.115 -10.872 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.438 -10.298 2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.857 -8.125 -1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.607 -9.432 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.019 -7.256 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.908 -7.930 1.383 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.819 -9.152 -0.677 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.535 -9.658 -1.195 1.00 0.00 C ATOM 1129 C CYS A 94 -6.493 -9.694 -0.065 1.00 0.00 C ATOM 1130 O CYS A 94 -5.948 -8.655 0.334 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.032 -8.813 -2.390 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.685 -7.085 -2.008 1.00 0.00 S ATOM 0 H CYS A 94 -9.052 -8.210 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.689 -10.672 -1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.125 -9.272 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.779 -8.851 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.310 -6.747 -0.920 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.273 -10.903 0.471 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.312 -11.151 1.557 1.00 0.00 C ATOM 1140 C VAL A 95 -3.868 -10.959 1.041 1.00 0.00 C ATOM 1141 O VAL A 95 -3.004 -10.425 1.750 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.494 -12.599 2.152 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -4.565 -12.841 3.372 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.982 -12.867 2.513 1.00 0.00 C ATOM 0 H VAL A 95 -6.761 -11.744 0.161 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.502 -10.432 2.354 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.201 -13.311 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.721 -13.850 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.525 -12.725 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.796 -12.118 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.082 -13.873 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.313 -12.140 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.596 -12.777 1.617 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.638 -11.389 -0.214 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.343 -11.229 -0.872 1.00 0.00 C ATOM 1156 C GLY A 96 -2.318 -11.836 -2.264 1.00 0.00 C ATOM 1157 O GLY A 96 -3.359 -12.235 -2.790 1.00 0.00 O ATOM 0 H GLY A 96 -4.342 -11.852 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.101 -10.168 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.569 -11.695 -0.262 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.120 -11.883 -2.861 1.00 0.00 N ATOM 1162 CA GLN A 97 -0.881 -12.502 -4.175 1.00 0.00 C ATOM 1163 C GLN A 97 -0.555 -13.990 -3.997 1.00 0.00 C ATOM 1164 O GLN A 97 0.230 -14.352 -3.118 1.00 0.00 O ATOM 1165 CB GLN A 97 0.290 -11.787 -4.904 1.00 0.00 C ATOM 1166 CG GLN A 97 0.605 -12.340 -6.311 1.00 0.00 C ATOM 1167 CD GLN A 97 1.782 -11.640 -6.990 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.611 -10.644 -7.690 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.989 -12.156 -6.785 1.00 0.00 N ATOM 0 H GLN A 97 -0.278 -11.488 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.782 -12.402 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.054 -10.726 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.186 -11.865 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.821 -13.406 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.280 -12.239 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.097 -12.984 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.808 -11.725 -7.214 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.155 -14.840 -4.832 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.846 -16.270 -4.854 1.00 0.00 C ATOM 1180 C TYR A 98 0.391 -16.509 -5.727 1.00 0.00 C ATOM 1181 O TYR A 98 0.510 -15.931 -6.815 1.00 0.00 O ATOM 1182 CB TYR A 98 -2.041 -17.079 -5.393 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.897 -18.601 -5.235 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -2.043 -19.206 -3.984 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.637 -19.434 -6.330 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.933 -20.575 -3.832 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.534 -20.800 -6.176 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.683 -21.365 -4.930 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.587 -22.728 -4.783 1.00 0.00 O ATOM 0 H TYR A 98 -1.865 -14.558 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.644 -16.603 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.946 -16.756 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.176 -16.846 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.246 -18.592 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.515 -18.999 -7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.043 -21.023 -2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.336 -21.427 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.409 -23.139 -5.654 1.00 0.00 H new ATOM 1199 N LEU A 99 1.303 -17.355 -5.243 1.00 0.00 N ATOM 1200 CA LEU A 99 2.471 -17.794 -6.005 1.00 0.00 C ATOM 1201 C LEU A 99 2.661 -19.291 -5.714 1.00 0.00 C ATOM 1202 O LEU A 99 2.796 -19.694 -4.553 1.00 0.00 O ATOM 1203 CB LEU A 99 3.729 -16.939 -5.641 1.00 0.00 C ATOM 1204 CG LEU A 99 4.839 -16.794 -6.751 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.922 -15.774 -6.337 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.483 -18.148 -7.124 1.00 0.00 C ATOM 0 H LEU A 99 1.250 -17.756 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 99 2.324 -17.650 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.392 -15.940 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.190 -17.375 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 99 4.335 -16.419 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.671 -15.699 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.462 -14.798 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.398 -16.104 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.240 -17.991 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.948 -18.586 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.716 -18.824 -7.503 1.00 0.00 H new ATOM 1218 N GLU A 100 2.657 -20.095 -6.784 1.00 0.00 N ATOM 1219 CA GLU A 100 2.749 -21.557 -6.711 1.00 0.00 C ATOM 1220 C GLU A 100 4.162 -22.029 -6.275 1.00 0.00 C ATOM 1221 O GLU A 100 5.161 -21.376 -6.621 1.00 0.00 O ATOM 1222 CB GLU A 100 2.396 -22.146 -8.099 1.00 0.00 C ATOM 1223 CG GLU A 100 0.928 -21.947 -8.515 1.00 0.00 C ATOM 1224 CD GLU A 100 0.589 -22.590 -9.866 1.00 0.00 C ATOM 1225 OE1 GLU A 100 0.527 -23.840 -9.939 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.395 -21.855 -10.859 1.00 0.00 O ATOM 0 H GLU A 100 2.589 -19.742 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 100 2.046 -21.911 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.040 -21.688 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.619 -23.213 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.279 -22.368 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.713 -20.880 -8.564 1.00 0.00 H new ATOM 1233 N PRO A 101 4.257 -23.157 -5.483 1.00 0.00 N ATOM 1234 CA PRO A 101 5.549 -23.794 -5.123 1.00 0.00 C ATOM 1235 C PRO A 101 6.445 -24.051 -6.364 1.00 0.00 C ATOM 1236 O PRO A 101 7.626 -23.696 -6.376 1.00 0.00 O ATOM 1237 CB PRO A 101 5.125 -25.134 -4.432 1.00 0.00 C ATOM 1238 CG PRO A 101 3.655 -25.279 -4.717 1.00 0.00 C ATOM 1239 CD PRO A 101 3.128 -23.873 -4.828 1.00 0.00 C ATOM 0 HA PRO A 101 6.155 -23.158 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.688 -25.978 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.317 -25.101 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.487 -25.835 -5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.152 -25.825 -3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.217 -23.827 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.891 -23.450 -3.852 1.00 0.00 H new ATOM 1247 N ASP A 102 5.830 -24.633 -7.409 1.00 0.00 N ATOM 1248 CA ASP A 102 6.509 -25.013 -8.668 1.00 0.00 C ATOM 1249 C ASP A 102 6.974 -23.777 -9.465 1.00 0.00 C ATOM 1250 O ASP A 102 8.066 -23.776 -10.038 1.00 0.00 O ATOM 1251 CB ASP A 102 5.548 -25.876 -9.527 1.00 0.00 C ATOM 1252 CG ASP A 102 6.150 -26.351 -10.862 1.00 0.00 C ATOM 1253 OD1 ASP A 102 6.855 -27.387 -10.876 1.00 0.00 O ATOM 1254 OD2 ASP A 102 5.907 -25.707 -11.909 1.00 0.00 O ATOM 0 H ASP A 102 4.835 -24.857 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 102 7.400 -25.588 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.244 -26.748 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.646 -25.300 -9.733 1.00 0.00 H new ATOM 1259 N GLN A 103 6.129 -22.724 -9.453 1.00 0.00 N ATOM 1260 CA GLN A 103 6.263 -21.544 -10.337 1.00 0.00 C ATOM 1261 C GLN A 103 7.601 -20.801 -10.146 1.00 0.00 C ATOM 1262 O GLN A 103 8.263 -20.448 -11.126 1.00 0.00 O ATOM 1263 CB GLN A 103 5.065 -20.579 -10.119 1.00 0.00 C ATOM 1264 CG GLN A 103 5.018 -19.337 -11.035 1.00 0.00 C ATOM 1265 CD GLN A 103 5.042 -19.676 -12.529 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.002 -19.923 -13.137 1.00 0.00 O ATOM 1267 NE2 GLN A 103 6.224 -19.687 -13.131 1.00 0.00 N ATOM 0 H GLN A 103 5.328 -22.668 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 103 6.256 -21.909 -11.364 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.142 -21.142 -10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.081 -20.241 -9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.115 -18.767 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.866 -18.693 -10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.069 -19.478 -12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.288 -19.905 -14.125 1.00 0.00 H new