USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot 68:sc= 0.705 USER MOD Set 2.1: A 35 CYS SG : rot -150:sc= 0.841 USER MOD Set 2.2: A 71 THR OG1 : rot 145:sc= 1.06 USER MOD Single : A 5 TYR OH : rot 150:sc= -0.411 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.495 X(o=-0.5,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 16 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0531 X(o=0.053,f=-0.054) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0074 USER MOD Single : A 38 THR OG1 : rot -94:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 148:sc= -3.12! (180deg=-5.42!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.16) USER MOD Single : A 51 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.91) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.538 USER MOD Single : A 58 GLN : amide:sc= -0.544 K(o=-0.54,f=-0.034) USER MOD Single : A 69 SER OG : rot -84:sc= 0.814 USER MOD Single : A 80 MET CE :methyl -131:sc= -5.34! (180deg=-7.15!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.807 -4.234 -18.178 1.00 0.00 N ATOM 47 CA ILE A 4 7.761 -5.224 -17.911 1.00 0.00 C ATOM 48 C ILE A 4 6.441 -4.517 -17.594 1.00 0.00 C ATOM 49 O ILE A 4 5.370 -5.091 -17.769 1.00 0.00 O ATOM 50 CB ILE A 4 8.145 -6.160 -16.749 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.010 -5.431 -15.406 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.588 -6.636 -16.926 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.587 -5.606 -14.870 1.00 0.00 C ATOM 0 HA ILE A 4 7.645 -5.834 -18.807 1.00 0.00 H new ATOM 0 HB ILE A 4 7.472 -7.017 -16.755 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.731 -5.828 -14.691 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.235 -4.372 -15.531 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.856 -7.298 -16.103 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.680 -7.174 -17.869 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.257 -5.775 -16.933 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.491 -5.088 -13.916 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.876 -5.188 -15.583 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.379 -6.667 -14.729 1.00 0.00 H new ATOM 65 N TYR A 5 6.534 -3.259 -17.134 1.00 0.00 N ATOM 66 CA TYR A 5 5.341 -2.474 -16.807 1.00 0.00 C ATOM 67 C TYR A 5 4.485 -2.297 -18.058 1.00 0.00 C ATOM 68 O TYR A 5 3.255 -2.275 -17.994 1.00 0.00 O ATOM 69 CB TYR A 5 5.726 -1.082 -16.275 1.00 0.00 C ATOM 70 CG TYR A 5 6.478 -1.176 -14.958 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.906 -2.414 -14.457 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.758 -0.006 -14.240 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.606 -2.482 -13.251 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.457 -0.074 -13.031 1.00 0.00 C ATOM 75 CZ TYR A 5 7.881 -1.313 -12.535 1.00 0.00 C ATOM 76 OH TYR A 5 8.574 -1.379 -11.342 1.00 0.00 O ATOM 0 H TYR A 5 7.416 -2.770 -16.982 1.00 0.00 H new ATOM 0 HA TYR A 5 4.785 -3.009 -16.037 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.344 -0.568 -17.012 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.826 -0.482 -16.139 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.693 -3.319 -15.007 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.433 0.951 -14.621 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.935 -3.438 -12.871 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.670 0.830 -12.479 1.00 0.00 H new ATOM 0 HH TYR A 5 9.087 -0.554 -11.216 1.00 0.00 H new ATOM 86 N LYS A 6 5.168 -2.189 -19.201 1.00 0.00 N ATOM 87 CA LYS A 6 4.488 -2.034 -20.489 1.00 0.00 C ATOM 88 C LYS A 6 3.992 -3.392 -20.967 1.00 0.00 C ATOM 89 O LYS A 6 2.882 -3.520 -21.488 1.00 0.00 O ATOM 90 CB LYS A 6 5.435 -1.445 -21.546 1.00 0.00 C ATOM 91 CG LYS A 6 6.222 -0.263 -20.959 1.00 0.00 C ATOM 92 CD LYS A 6 5.277 0.658 -20.180 1.00 0.00 C ATOM 93 CE LYS A 6 6.092 1.660 -19.359 1.00 0.00 C ATOM 94 NZ LYS A 6 5.332 2.937 -19.231 1.00 0.00 N ATOM 0 H LYS A 6 6.186 -2.206 -19.261 1.00 0.00 H new ATOM 0 HA LYS A 6 3.649 -1.351 -20.353 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.126 -2.213 -21.894 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.863 -1.115 -22.413 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.010 -0.630 -20.301 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.709 0.294 -21.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.620 1.188 -20.870 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.639 0.068 -19.522 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.303 1.250 -18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.053 1.843 -19.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.887 3.617 -18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.152 3.330 -20.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.426 2.755 -18.754 1.00 0.00 H new ATOM 108 N ALA A 7 4.832 -4.408 -20.757 1.00 0.00 N ATOM 109 CA ALA A 7 4.488 -5.777 -21.141 1.00 0.00 C ATOM 110 C ALA A 7 3.322 -6.299 -20.291 1.00 0.00 C ATOM 111 O ALA A 7 2.573 -7.177 -20.720 1.00 0.00 O ATOM 112 CB ALA A 7 5.694 -6.703 -20.956 1.00 0.00 C ATOM 0 H ALA A 7 5.751 -4.309 -20.325 1.00 0.00 H new ATOM 0 HA ALA A 7 4.194 -5.767 -22.191 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.421 -7.718 -21.246 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.518 -6.356 -21.580 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.002 -6.695 -19.910 1.00 0.00 H new ATOM 118 N ALA A 8 3.179 -5.744 -19.079 1.00 0.00 N ATOM 119 CA ALA A 8 2.106 -6.151 -18.172 1.00 0.00 C ATOM 120 C ALA A 8 0.791 -5.448 -18.523 1.00 0.00 C ATOM 121 O ALA A 8 -0.283 -6.017 -18.345 1.00 0.00 O ATOM 122 CB ALA A 8 2.472 -5.816 -16.723 1.00 0.00 C ATOM 0 H ALA A 8 3.791 -5.017 -18.709 1.00 0.00 H new ATOM 0 HA ALA A 8 1.977 -7.228 -18.281 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.662 -6.126 -16.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.386 -6.342 -16.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.628 -4.742 -16.626 1.00 0.00 H new ATOM 128 N VAL A 9 0.888 -4.205 -19.019 1.00 0.00 N ATOM 129 CA VAL A 9 -0.304 -3.428 -19.388 1.00 0.00 C ATOM 130 C VAL A 9 -1.219 -4.235 -20.315 1.00 0.00 C ATOM 131 O VAL A 9 -2.420 -4.362 -20.062 1.00 0.00 O ATOM 132 CB VAL A 9 0.111 -2.119 -20.083 1.00 0.00 C ATOM 133 CG1 VAL A 9 -1.076 -1.522 -20.843 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.596 -1.116 -19.032 1.00 0.00 C ATOM 0 H VAL A 9 1.772 -3.720 -19.173 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.852 -3.196 -18.475 1.00 0.00 H new ATOM 0 HB VAL A 9 0.913 -2.333 -20.789 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.768 -0.597 -21.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.420 -2.231 -21.596 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.887 -1.313 -20.145 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.890 -0.188 -19.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.208 -0.913 -18.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.451 -1.532 -18.500 1.00 0.00 H new ATOM 144 N GLU A 10 -0.635 -4.779 -21.385 1.00 0.00 N ATOM 145 CA GLU A 10 -1.393 -5.577 -22.351 1.00 0.00 C ATOM 146 C GLU A 10 -1.991 -6.830 -21.696 1.00 0.00 C ATOM 147 O GLU A 10 -2.960 -7.398 -22.204 1.00 0.00 O ATOM 148 CB GLU A 10 -0.487 -5.996 -23.516 1.00 0.00 C ATOM 149 CG GLU A 10 0.616 -6.933 -23.012 1.00 0.00 C ATOM 150 CD GLU A 10 1.349 -7.551 -24.198 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.891 -8.574 -24.684 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.357 -6.996 -24.602 1.00 0.00 O ATOM 0 H GLU A 10 0.357 -4.682 -21.604 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.210 -4.958 -22.723 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.077 -6.496 -24.285 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.043 -5.114 -23.978 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.317 -6.381 -22.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.184 -7.717 -22.391 1.00 0.00 H new ATOM 159 N GLN A 11 -1.406 -7.257 -20.568 1.00 0.00 N ATOM 160 CA GLN A 11 -1.899 -8.441 -19.865 1.00 0.00 C ATOM 161 C GLN A 11 -3.058 -8.074 -18.940 1.00 0.00 C ATOM 162 O GLN A 11 -4.058 -8.789 -18.862 1.00 0.00 O ATOM 163 CB GLN A 11 -0.783 -9.086 -19.035 1.00 0.00 C ATOM 164 CG GLN A 11 0.355 -9.528 -19.959 1.00 0.00 C ATOM 165 CD GLN A 11 1.314 -10.438 -19.195 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.544 -11.579 -19.596 1.00 0.00 O ATOM 167 NE2 GLN A 11 1.893 -10.001 -18.108 1.00 0.00 N ATOM 0 H GLN A 11 -0.603 -6.805 -20.131 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.245 -9.151 -20.617 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.410 -8.377 -18.296 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.173 -9.943 -18.486 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.049 -10.054 -20.824 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.889 -8.656 -20.337 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.704 -9.056 -17.774 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.534 -10.605 -17.594 1.00 0.00 H new ATOM 176 N LEU A 12 -2.905 -6.948 -18.240 1.00 0.00 N ATOM 177 CA LEU A 12 -3.933 -6.474 -17.314 1.00 0.00 C ATOM 178 C LEU A 12 -5.171 -6.006 -18.076 1.00 0.00 C ATOM 179 O LEU A 12 -5.098 -5.640 -19.252 1.00 0.00 O ATOM 180 CB LEU A 12 -3.404 -5.312 -16.471 1.00 0.00 C ATOM 181 CG LEU A 12 -2.218 -5.656 -15.565 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.056 -4.706 -15.862 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.635 -5.509 -14.099 1.00 0.00 C ATOM 0 H LEU A 12 -2.081 -6.349 -18.297 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.200 -7.306 -16.662 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.109 -4.503 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.217 -4.933 -15.852 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.905 -6.683 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.212 -4.951 -15.217 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.758 -4.811 -16.905 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.369 -3.679 -15.675 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.791 -5.754 -13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.949 -4.482 -13.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.462 -6.186 -13.886 1.00 0.00 H new ATOM 195 N THR A 13 -6.309 -6.022 -17.383 1.00 0.00 N ATOM 196 CA THR A 13 -7.576 -5.600 -17.984 1.00 0.00 C ATOM 197 C THR A 13 -8.015 -4.248 -17.426 1.00 0.00 C ATOM 198 O THR A 13 -7.465 -3.757 -16.437 1.00 0.00 O ATOM 199 CB THR A 13 -8.684 -6.628 -17.704 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.403 -7.329 -16.499 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.771 -7.616 -18.866 1.00 0.00 C ATOM 0 H THR A 13 -6.381 -6.321 -16.410 1.00 0.00 H new ATOM 0 HA THR A 13 -7.415 -5.520 -19.059 1.00 0.00 H new ATOM 0 HB THR A 13 -9.636 -6.108 -17.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.114 -7.981 -16.326 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.557 -8.344 -18.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.001 -7.077 -19.785 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.817 -8.132 -18.977 1.00 0.00 H new ATOM 209 N ASP A 14 -9.031 -3.665 -18.066 1.00 0.00 N ATOM 210 CA ASP A 14 -9.568 -2.376 -17.626 1.00 0.00 C ATOM 211 C ASP A 14 -10.142 -2.499 -16.214 1.00 0.00 C ATOM 212 O ASP A 14 -10.112 -1.545 -15.436 1.00 0.00 O ATOM 213 CB ASP A 14 -10.677 -1.904 -18.570 1.00 0.00 C ATOM 214 CG ASP A 14 -10.074 -1.519 -19.919 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.666 -0.377 -20.060 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.030 -2.371 -20.792 1.00 0.00 O ATOM 0 H ASP A 14 -9.495 -4.061 -18.884 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.754 -1.651 -17.633 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.416 -2.694 -18.703 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.198 -1.050 -18.137 1.00 0.00 H new ATOM 221 N GLU A 15 -10.662 -3.693 -15.897 1.00 0.00 N ATOM 222 CA GLU A 15 -11.242 -3.953 -14.577 1.00 0.00 C ATOM 223 C GLU A 15 -10.213 -3.711 -13.469 1.00 0.00 C ATOM 224 O GLU A 15 -10.538 -3.145 -12.425 1.00 0.00 O ATOM 225 CB GLU A 15 -11.740 -5.398 -14.486 1.00 0.00 C ATOM 226 CG GLU A 15 -13.083 -5.527 -15.212 1.00 0.00 C ATOM 227 CD GLU A 15 -13.856 -6.719 -14.652 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.596 -6.526 -13.701 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.695 -7.806 -15.182 1.00 0.00 O ATOM 0 H GLU A 15 -10.692 -4.489 -16.535 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.079 -3.267 -14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.009 -6.074 -14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.850 -5.690 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.664 -4.613 -15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.919 -5.657 -16.282 1.00 0.00 H new ATOM 236 N GLN A 16 -8.968 -4.144 -13.710 1.00 0.00 N ATOM 237 CA GLN A 16 -7.894 -3.967 -12.725 1.00 0.00 C ATOM 238 C GLN A 16 -7.707 -2.488 -12.391 1.00 0.00 C ATOM 239 O GLN A 16 -7.646 -2.110 -11.219 1.00 0.00 O ATOM 240 CB GLN A 16 -6.570 -4.531 -13.256 1.00 0.00 C ATOM 241 CG GLN A 16 -6.491 -6.033 -12.958 1.00 0.00 C ATOM 242 CD GLN A 16 -5.586 -6.272 -11.751 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.510 -6.855 -11.882 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.961 -5.858 -10.569 1.00 0.00 N ATOM 0 H GLN A 16 -8.682 -4.614 -14.569 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.181 -4.509 -11.824 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.495 -4.359 -14.330 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.731 -4.014 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.488 -6.427 -12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.103 -6.566 -13.826 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.852 -5.374 -10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.362 -6.018 -9.759 1.00 0.00 H new ATOM 253 N LYS A 17 -7.628 -1.654 -13.433 1.00 0.00 N ATOM 254 CA LYS A 17 -7.460 -0.212 -13.237 1.00 0.00 C ATOM 255 C LYS A 17 -8.727 0.399 -12.631 1.00 0.00 C ATOM 256 O LYS A 17 -8.654 1.359 -11.864 1.00 0.00 O ATOM 257 CB LYS A 17 -7.141 0.488 -14.561 1.00 0.00 C ATOM 258 CG LYS A 17 -5.622 0.625 -14.712 1.00 0.00 C ATOM 259 CD LYS A 17 -5.075 -0.547 -15.535 1.00 0.00 C ATOM 260 CE LYS A 17 -3.666 -0.907 -15.050 1.00 0.00 C ATOM 261 NZ LYS A 17 -2.669 0.009 -15.678 1.00 0.00 N ATOM 0 H LYS A 17 -7.677 -1.948 -14.408 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.625 -0.066 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.550 -0.083 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.610 1.471 -14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.379 1.569 -15.200 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.150 0.644 -13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.734 -1.410 -15.439 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.049 -0.281 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.613 -0.828 -13.964 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.436 -1.941 -15.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.714 -0.238 -15.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.713 -0.087 -16.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.884 0.991 -15.412 1.00 0.00 H new ATOM 275 N ASN A 18 -9.890 -0.176 -12.973 1.00 0.00 N ATOM 276 CA ASN A 18 -11.168 0.310 -12.442 1.00 0.00 C ATOM 277 C ASN A 18 -11.202 0.139 -10.922 1.00 0.00 C ATOM 278 O ASN A 18 -11.591 1.053 -10.192 1.00 0.00 O ATOM 279 CB ASN A 18 -12.340 -0.464 -13.060 1.00 0.00 C ATOM 280 CG ASN A 18 -12.874 0.296 -14.272 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.404 1.398 -14.137 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.767 -0.236 -15.459 1.00 0.00 N ATOM 0 H ASN A 18 -9.970 -0.970 -13.608 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.263 1.366 -12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.014 -1.461 -13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.132 -0.595 -12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.123 0.262 -16.275 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.328 -1.150 -15.571 1.00 0.00 H new ATOM 289 N GLU A 19 -10.771 -1.041 -10.459 1.00 0.00 N ATOM 290 CA GLU A 19 -10.731 -1.330 -9.021 1.00 0.00 C ATOM 291 C GLU A 19 -9.685 -0.449 -8.349 1.00 0.00 C ATOM 292 O GLU A 19 -9.924 0.112 -7.281 1.00 0.00 O ATOM 293 CB GLU A 19 -10.367 -2.797 -8.764 1.00 0.00 C ATOM 294 CG GLU A 19 -11.408 -3.709 -9.415 1.00 0.00 C ATOM 295 CD GLU A 19 -11.516 -5.007 -8.620 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.293 -5.042 -7.680 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.817 -5.948 -8.963 1.00 0.00 O ATOM 0 H GLU A 19 -10.448 -1.804 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.721 -1.129 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.378 -3.012 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.322 -2.988 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.376 -3.209 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.125 -3.924 -10.446 1.00 0.00 H new ATOM 304 N PHE A 20 -8.523 -0.341 -8.997 1.00 0.00 N ATOM 305 CA PHE A 20 -7.422 0.473 -8.475 1.00 0.00 C ATOM 306 C PHE A 20 -7.843 1.936 -8.328 1.00 0.00 C ATOM 307 O PHE A 20 -7.544 2.579 -7.320 1.00 0.00 O ATOM 308 CB PHE A 20 -6.213 0.399 -9.416 1.00 0.00 C ATOM 309 CG PHE A 20 -5.361 -0.812 -9.095 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.911 -1.923 -8.437 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.013 -0.821 -9.466 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.112 -3.033 -8.151 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.215 -1.930 -9.182 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.763 -3.037 -8.523 1.00 0.00 C ATOM 0 H PHE A 20 -8.320 -0.806 -9.882 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.155 0.077 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.553 0.347 -10.450 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.616 1.306 -9.322 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.953 -1.920 -8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.588 0.032 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.535 -3.887 -7.643 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.174 -1.934 -9.471 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.144 -3.894 -8.302 1.00 0.00 H new ATOM 324 N LYS A 21 -8.539 2.455 -9.347 1.00 0.00 N ATOM 325 CA LYS A 21 -8.996 3.847 -9.328 1.00 0.00 C ATOM 326 C LYS A 21 -9.992 4.074 -8.192 1.00 0.00 C ATOM 327 O LYS A 21 -9.842 5.009 -7.404 1.00 0.00 O ATOM 328 CB LYS A 21 -9.657 4.220 -10.662 1.00 0.00 C ATOM 329 CG LYS A 21 -9.929 5.729 -10.702 1.00 0.00 C ATOM 330 CD LYS A 21 -8.621 6.497 -10.493 1.00 0.00 C ATOM 331 CE LYS A 21 -8.830 7.971 -10.848 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.547 8.712 -10.686 1.00 0.00 N ATOM 0 H LYS A 21 -8.795 1.936 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.123 4.480 -9.171 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.009 3.936 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.590 3.670 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.373 6.003 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.648 5.999 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.295 6.405 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.834 6.071 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.186 8.061 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.596 8.405 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.691 9.713 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.225 8.637 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.828 8.304 -11.317 1.00 0.00 H new ATOM 346 N ALA A 22 -11.007 3.208 -8.114 1.00 0.00 N ATOM 347 CA ALA A 22 -12.019 3.322 -7.061 1.00 0.00 C ATOM 348 C ALA A 22 -11.384 3.114 -5.686 1.00 0.00 C ATOM 349 O ALA A 22 -11.669 3.852 -4.743 1.00 0.00 O ATOM 350 CB ALA A 22 -13.128 2.289 -7.263 1.00 0.00 C ATOM 0 H ALA A 22 -11.149 2.430 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.448 4.323 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.869 2.391 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.605 2.452 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.701 1.286 -7.234 1.00 0.00 H new ATOM 356 N ALA A 23 -10.512 2.106 -5.592 1.00 0.00 N ATOM 357 CA ALA A 23 -9.821 1.802 -4.334 1.00 0.00 C ATOM 358 C ALA A 23 -8.961 2.986 -3.882 1.00 0.00 C ATOM 359 O ALA A 23 -8.701 3.153 -2.692 1.00 0.00 O ATOM 360 CB ALA A 23 -8.923 0.572 -4.497 1.00 0.00 C ATOM 0 H ALA A 23 -10.268 1.489 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.583 1.602 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.419 0.362 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.530 -0.287 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.180 0.764 -5.271 1.00 0.00 H new ATOM 366 N PHE A 24 -8.526 3.806 -4.843 1.00 0.00 N ATOM 367 CA PHE A 24 -7.706 4.972 -4.529 1.00 0.00 C ATOM 368 C PHE A 24 -8.595 6.146 -4.112 1.00 0.00 C ATOM 369 O PHE A 24 -8.416 6.722 -3.041 1.00 0.00 O ATOM 370 CB PHE A 24 -6.873 5.379 -5.753 1.00 0.00 C ATOM 371 CG PHE A 24 -5.656 6.165 -5.317 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.493 5.494 -4.918 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.688 7.566 -5.319 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.364 6.223 -4.521 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.560 8.294 -4.921 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.399 7.622 -4.523 1.00 0.00 C ATOM 0 H PHE A 24 -8.727 3.683 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.039 4.713 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.563 4.491 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.479 5.979 -6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.466 4.414 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.584 8.085 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.467 5.705 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.586 9.374 -4.921 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.529 8.184 -4.217 1.00 0.00 H new ATOM 386 N ASP A 25 -9.551 6.489 -4.984 1.00 0.00 N ATOM 387 CA ASP A 25 -10.472 7.606 -4.733 1.00 0.00 C ATOM 388 C ASP A 25 -11.179 7.495 -3.375 1.00 0.00 C ATOM 389 O ASP A 25 -11.371 8.505 -2.695 1.00 0.00 O ATOM 390 CB ASP A 25 -11.536 7.675 -5.834 1.00 0.00 C ATOM 391 CG ASP A 25 -12.078 9.099 -5.935 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.022 9.405 -5.223 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.541 9.862 -6.721 1.00 0.00 O ATOM 0 H ASP A 25 -9.708 6.009 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.865 8.511 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.106 7.370 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.347 6.981 -5.614 1.00 0.00 H new ATOM 398 N ILE A 26 -11.577 6.276 -2.993 1.00 0.00 N ATOM 399 CA ILE A 26 -12.279 6.077 -1.714 1.00 0.00 C ATOM 400 C ILE A 26 -11.443 6.583 -0.533 1.00 0.00 C ATOM 401 O ILE A 26 -11.987 7.076 0.456 1.00 0.00 O ATOM 402 CB ILE A 26 -12.618 4.597 -1.489 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.341 3.751 -1.582 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.623 4.140 -2.550 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.673 2.277 -1.339 1.00 0.00 C ATOM 0 H ILE A 26 -11.430 5.426 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.203 6.652 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.055 4.471 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.885 3.873 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.613 4.094 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.866 3.089 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.531 4.738 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.189 4.268 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.762 1.683 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.109 2.161 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.385 1.936 -2.090 1.00 0.00 H new ATOM 417 N PHE A 27 -10.119 6.457 -0.645 1.00 0.00 N ATOM 418 CA PHE A 27 -9.221 6.907 0.421 1.00 0.00 C ATOM 419 C PHE A 27 -8.811 8.371 0.218 1.00 0.00 C ATOM 420 O PHE A 27 -8.492 9.072 1.181 1.00 0.00 O ATOM 421 CB PHE A 27 -7.963 6.035 0.466 1.00 0.00 C ATOM 422 CG PHE A 27 -8.274 4.741 1.182 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.428 4.728 2.574 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.414 3.556 0.453 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.722 3.530 3.234 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.708 2.357 1.113 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.862 2.344 2.503 1.00 0.00 C ATOM 0 H PHE A 27 -9.648 6.052 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.761 6.819 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.614 5.829 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.159 6.563 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.320 5.643 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.295 3.566 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.841 3.520 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.816 1.442 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.089 1.419 3.013 1.00 0.00 H new ATOM 437 N ILE A 28 -8.827 8.826 -1.042 1.00 0.00 N ATOM 438 CA ILE A 28 -8.457 10.213 -1.359 1.00 0.00 C ATOM 439 C ILE A 28 -9.686 11.138 -1.308 1.00 0.00 C ATOM 440 O ILE A 28 -9.628 12.291 -1.742 1.00 0.00 O ATOM 441 CB ILE A 28 -7.818 10.285 -2.759 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.712 9.230 -2.907 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.198 11.663 -2.992 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.984 9.019 -1.574 1.00 0.00 C ATOM 0 H ILE A 28 -9.089 8.262 -1.850 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.738 10.548 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.605 10.099 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.144 8.288 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.000 9.546 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.751 11.697 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.971 12.428 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.429 11.848 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.204 8.268 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.534 9.958 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.695 8.681 -0.821 1.00 0.00 H new ATOM 456 N GLN A 29 -10.796 10.628 -0.761 1.00 0.00 N ATOM 457 CA GLN A 29 -12.027 11.419 -0.651 1.00 0.00 C ATOM 458 C GLN A 29 -11.856 12.565 0.352 1.00 0.00 C ATOM 459 O GLN A 29 -12.452 13.631 0.197 1.00 0.00 O ATOM 460 CB GLN A 29 -13.201 10.532 -0.208 1.00 0.00 C ATOM 461 CG GLN A 29 -12.925 9.946 1.184 1.00 0.00 C ATOM 462 CD GLN A 29 -14.088 9.055 1.610 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.568 8.229 0.831 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.575 9.173 2.816 1.00 0.00 N ATOM 0 H GLN A 29 -10.867 9.680 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.239 11.837 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.121 11.116 -0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.350 9.726 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.000 9.370 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.788 10.750 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.179 9.856 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.352 8.582 3.112 1.00 0.00 H new ATOM 473 N ASP A 30 -11.037 12.330 1.384 1.00 0.00 N ATOM 474 CA ASP A 30 -10.797 13.345 2.413 1.00 0.00 C ATOM 475 C ASP A 30 -9.338 13.833 2.404 1.00 0.00 C ATOM 476 O ASP A 30 -8.953 14.655 3.240 1.00 0.00 O ATOM 477 CB ASP A 30 -11.132 12.780 3.801 1.00 0.00 C ATOM 478 CG ASP A 30 -10.292 11.533 4.081 1.00 0.00 C ATOM 479 OD1 ASP A 30 -10.738 10.450 3.735 1.00 0.00 O ATOM 480 OD2 ASP A 30 -9.215 11.680 4.638 1.00 0.00 O ATOM 0 H ASP A 30 -10.534 11.454 1.527 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.443 14.194 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.942 13.534 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.192 12.533 3.855 1.00 0.00 H new ATOM 485 N ALA A 31 -8.528 13.331 1.459 1.00 0.00 N ATOM 486 CA ALA A 31 -7.126 13.740 1.372 1.00 0.00 C ATOM 487 C ALA A 31 -7.017 15.183 0.885 1.00 0.00 C ATOM 488 O ALA A 31 -7.865 15.669 0.134 1.00 0.00 O ATOM 489 CB ALA A 31 -6.357 12.836 0.411 1.00 0.00 C ATOM 0 H ALA A 31 -8.818 12.651 0.756 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.696 13.657 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.317 13.158 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.401 11.806 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.803 12.897 -0.582 1.00 0.00 H new ATOM 495 N GLU A 32 -5.956 15.858 1.323 1.00 0.00 N ATOM 496 CA GLU A 32 -5.724 17.250 0.932 1.00 0.00 C ATOM 497 C GLU A 32 -4.771 17.326 -0.261 1.00 0.00 C ATOM 498 O GLU A 32 -4.940 18.162 -1.151 1.00 0.00 O ATOM 499 CB GLU A 32 -5.135 18.048 2.100 1.00 0.00 C ATOM 500 CG GLU A 32 -6.153 18.122 3.244 1.00 0.00 C ATOM 501 CD GLU A 32 -7.343 18.982 2.824 1.00 0.00 C ATOM 502 OE1 GLU A 32 -7.257 20.190 2.970 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.323 18.417 2.362 1.00 0.00 O ATOM 0 H GLU A 32 -5.247 15.469 1.944 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.685 17.680 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.216 17.576 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.872 19.053 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.492 17.120 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.684 18.543 4.133 1.00 0.00 H new ATOM 510 N ASP A 33 -3.769 16.442 -0.271 1.00 0.00 N ATOM 511 CA ASP A 33 -2.790 16.411 -1.360 1.00 0.00 C ATOM 512 C ASP A 33 -3.317 15.581 -2.532 1.00 0.00 C ATOM 513 O ASP A 33 -3.230 15.997 -3.689 1.00 0.00 O ATOM 514 CB ASP A 33 -1.467 15.807 -0.876 1.00 0.00 C ATOM 515 CG ASP A 33 -0.731 16.818 -0.001 1.00 0.00 C ATOM 516 OD1 ASP A 33 -1.021 16.872 1.183 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.113 17.524 -0.529 1.00 0.00 O ATOM 0 H ASP A 33 -3.615 15.744 0.457 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.622 17.437 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.657 14.894 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.848 15.531 -1.730 1.00 0.00 H new ATOM 522 N GLY A 34 -3.866 14.403 -2.217 1.00 0.00 N ATOM 523 CA GLY A 34 -4.409 13.513 -3.246 1.00 0.00 C ATOM 524 C GLY A 34 -3.660 12.180 -3.273 1.00 0.00 C ATOM 525 O GLY A 34 -3.346 11.654 -4.343 1.00 0.00 O ATOM 0 H GLY A 34 -3.945 14.046 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.467 13.335 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.337 13.994 -4.222 1.00 0.00 H new ATOM 529 N CYS A 35 -3.372 11.640 -2.084 1.00 0.00 N ATOM 530 CA CYS A 35 -2.654 10.365 -1.978 1.00 0.00 C ATOM 531 C CYS A 35 -2.944 9.690 -0.637 1.00 0.00 C ATOM 532 O CYS A 35 -3.537 10.292 0.261 1.00 0.00 O ATOM 533 CB CYS A 35 -1.138 10.572 -2.113 1.00 0.00 C ATOM 534 SG CYS A 35 -0.698 12.281 -1.702 1.00 0.00 S ATOM 0 H CYS A 35 -3.622 12.061 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.003 9.728 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.610 9.884 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.822 10.342 -3.131 1.00 0.00 H new ATOM 0 HG CYS A 35 0.356 12.632 -2.377 1.00 0.00 H new ATOM 540 N ILE A 36 -2.507 8.433 -0.511 1.00 0.00 N ATOM 541 CA ILE A 36 -2.714 7.679 0.728 1.00 0.00 C ATOM 542 C ILE A 36 -1.420 7.646 1.546 1.00 0.00 C ATOM 543 O ILE A 36 -0.402 8.204 1.138 1.00 0.00 O ATOM 544 CB ILE A 36 -3.168 6.241 0.427 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.130 5.536 -0.458 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.517 6.270 -0.298 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.457 4.410 0.329 1.00 0.00 C ATOM 0 H ILE A 36 -2.014 7.922 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.495 8.179 1.301 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.268 5.697 1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.612 5.132 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.382 6.252 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.838 5.250 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.259 6.759 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.416 6.821 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.721 3.913 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.960 4.825 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.209 3.688 0.647 1.00 0.00 H new ATOM 559 N SER A 37 -1.469 6.982 2.700 1.00 0.00 N ATOM 560 CA SER A 37 -0.292 6.882 3.558 1.00 0.00 C ATOM 561 C SER A 37 0.507 5.630 3.211 1.00 0.00 C ATOM 562 O SER A 37 -0.058 4.546 3.042 1.00 0.00 O ATOM 563 CB SER A 37 -0.695 6.823 5.034 1.00 0.00 C ATOM 564 OG SER A 37 0.391 7.272 5.835 1.00 0.00 O ATOM 0 H SER A 37 -2.300 6.511 3.058 1.00 0.00 H new ATOM 0 HA SER A 37 0.320 7.769 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.573 7.445 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.967 5.804 5.308 1.00 0.00 H new ATOM 0 HG SER A 37 0.136 7.237 6.781 1.00 0.00 H new ATOM 570 N THR A 38 1.826 5.794 3.108 1.00 0.00 N ATOM 571 CA THR A 38 2.713 4.671 2.784 1.00 0.00 C ATOM 572 C THR A 38 2.540 3.539 3.799 1.00 0.00 C ATOM 573 O THR A 38 2.450 2.370 3.429 1.00 0.00 O ATOM 574 CB THR A 38 4.181 5.119 2.774 1.00 0.00 C ATOM 575 OG1 THR A 38 4.450 5.913 3.923 1.00 0.00 O ATOM 576 CG2 THR A 38 4.457 5.936 1.510 1.00 0.00 C ATOM 0 H THR A 38 2.303 6.685 3.243 1.00 0.00 H new ATOM 0 HA THR A 38 2.443 4.312 1.791 1.00 0.00 H new ATOM 0 HB THR A 38 4.826 4.240 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.346 6.861 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.499 6.254 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.258 5.324 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.810 6.813 1.495 1.00 0.00 H new ATOM 584 N LYS A 39 2.486 3.907 5.082 1.00 0.00 N ATOM 585 CA LYS A 39 2.315 2.921 6.153 1.00 0.00 C ATOM 586 C LYS A 39 0.912 2.295 6.126 1.00 0.00 C ATOM 587 O LYS A 39 0.703 1.213 6.680 1.00 0.00 O ATOM 588 CB LYS A 39 2.549 3.575 7.520 1.00 0.00 C ATOM 589 CG LYS A 39 1.461 4.620 7.798 1.00 0.00 C ATOM 590 CD LYS A 39 2.018 5.710 8.717 1.00 0.00 C ATOM 591 CE LYS A 39 1.812 5.302 10.179 1.00 0.00 C ATOM 592 NZ LYS A 39 2.409 6.335 11.074 1.00 0.00 N ATOM 0 H LYS A 39 2.558 4.873 5.403 1.00 0.00 H new ATOM 0 HA LYS A 39 3.049 2.132 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.542 2.815 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.531 4.047 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.118 5.060 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.597 4.145 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.079 5.862 8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.517 6.658 8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.748 5.193 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.275 4.333 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.269 6.057 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.427 6.418 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.948 7.251 10.902 1.00 0.00 H new ATOM 606 N GLU A 40 -0.048 2.979 5.486 1.00 0.00 N ATOM 607 CA GLU A 40 -1.418 2.471 5.411 1.00 0.00 C ATOM 608 C GLU A 40 -1.661 1.663 4.130 1.00 0.00 C ATOM 609 O GLU A 40 -2.797 1.270 3.852 1.00 0.00 O ATOM 610 CB GLU A 40 -2.421 3.626 5.456 1.00 0.00 C ATOM 611 CG GLU A 40 -2.476 4.207 6.873 1.00 0.00 C ATOM 612 CD GLU A 40 -3.251 3.260 7.786 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.469 3.257 7.710 1.00 0.00 O ATOM 614 OE2 GLU A 40 -2.613 2.551 8.548 1.00 0.00 O ATOM 0 H GLU A 40 0.100 3.874 5.020 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.558 1.816 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.131 4.400 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.409 3.274 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.466 4.353 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.955 5.186 6.857 1.00 0.00 H new ATOM 621 N LEU A 41 -0.597 1.402 3.356 1.00 0.00 N ATOM 622 CA LEU A 41 -0.744 0.626 2.125 1.00 0.00 C ATOM 623 C LEU A 41 -0.793 -0.867 2.457 1.00 0.00 C ATOM 624 O LEU A 41 0.126 -1.630 2.147 1.00 0.00 O ATOM 625 CB LEU A 41 0.410 0.909 1.156 1.00 0.00 C ATOM 626 CG LEU A 41 0.027 0.908 -0.328 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.296 0.969 -1.181 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.751 -0.372 -0.657 1.00 0.00 C ATOM 0 H LEU A 41 0.354 1.711 3.558 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.675 0.921 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.842 1.879 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.189 0.163 1.315 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.598 1.775 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.025 0.968 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.847 1.880 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.921 0.102 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.023 -0.371 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.129 -1.241 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.655 -0.415 -0.050 1.00 0.00 H new ATOM 640 N GLY A 42 -1.890 -1.263 3.099 1.00 0.00 N ATOM 641 CA GLY A 42 -2.097 -2.655 3.495 1.00 0.00 C ATOM 642 C GLY A 42 -3.587 -2.984 3.505 1.00 0.00 C ATOM 643 O GLY A 42 -4.017 -3.991 2.939 1.00 0.00 O ATOM 0 H GLY A 42 -2.653 -0.637 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.575 -3.318 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.673 -2.826 4.484 1.00 0.00 H new ATOM 647 N LYS A 43 -4.372 -2.106 4.143 1.00 0.00 N ATOM 648 CA LYS A 43 -5.819 -2.287 4.211 1.00 0.00 C ATOM 649 C LYS A 43 -6.462 -1.998 2.849 1.00 0.00 C ATOM 650 O LYS A 43 -7.566 -2.466 2.559 1.00 0.00 O ATOM 651 CB LYS A 43 -6.415 -1.353 5.271 1.00 0.00 C ATOM 652 CG LYS A 43 -6.092 0.109 4.933 1.00 0.00 C ATOM 653 CD LYS A 43 -7.319 0.984 5.197 1.00 0.00 C ATOM 654 CE LYS A 43 -7.427 1.285 6.694 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.579 2.199 6.938 1.00 0.00 N ATOM 0 H LYS A 43 -4.028 -1.270 4.615 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.025 -3.322 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.495 -1.492 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.014 -1.604 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.251 0.454 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.792 0.193 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.242 1.914 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.220 0.477 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.560 0.359 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.504 1.743 7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.651 2.403 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.434 3.087 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.457 1.746 6.613 1.00 0.00 H new ATOM 669 N VAL A 44 -5.753 -1.223 2.013 1.00 0.00 N ATOM 670 CA VAL A 44 -6.253 -0.879 0.682 1.00 0.00 C ATOM 671 C VAL A 44 -6.195 -2.101 -0.242 1.00 0.00 C ATOM 672 O VAL A 44 -7.096 -2.320 -1.054 1.00 0.00 O ATOM 673 CB VAL A 44 -5.431 0.273 0.081 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.473 1.477 1.027 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.972 -0.159 -0.108 1.00 0.00 C ATOM 0 H VAL A 44 -4.840 -0.828 2.237 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.290 -0.558 0.777 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.857 0.541 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.890 2.294 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.506 1.799 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.053 1.196 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.401 0.666 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.546 -0.435 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.930 -1.015 -0.781 1.00 0.00 H new ATOM 685 N MET A 45 -5.131 -2.901 -0.096 1.00 0.00 N ATOM 686 CA MET A 45 -4.967 -4.111 -0.909 1.00 0.00 C ATOM 687 C MET A 45 -5.858 -5.234 -0.375 1.00 0.00 C ATOM 688 O MET A 45 -6.326 -6.083 -1.136 1.00 0.00 O ATOM 689 CB MET A 45 -3.508 -4.597 -0.916 1.00 0.00 C ATOM 690 CG MET A 45 -2.546 -3.417 -1.104 1.00 0.00 C ATOM 691 SD MET A 45 -2.154 -3.226 -2.861 1.00 0.00 S ATOM 692 CE MET A 45 -3.797 -2.692 -3.396 1.00 0.00 C ATOM 0 H MET A 45 -4.378 -2.734 0.571 1.00 0.00 H new ATOM 0 HA MET A 45 -5.256 -3.855 -1.929 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.285 -5.109 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.364 -5.321 -1.718 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.998 -2.502 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.633 -3.585 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.700 -2.005 -4.236 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.380 -3.560 -3.703 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.302 -2.189 -2.572 1.00 0.00 H new ATOM 702 N ARG A 46 -6.097 -5.216 0.942 1.00 0.00 N ATOM 703 CA ARG A 46 -6.947 -6.218 1.580 1.00 0.00 C ATOM 704 C ARG A 46 -8.373 -6.097 1.039 1.00 0.00 C ATOM 705 O ARG A 46 -9.028 -7.095 0.735 1.00 0.00 O ATOM 706 CB ARG A 46 -6.919 -6.021 3.111 1.00 0.00 C ATOM 707 CG ARG A 46 -8.329 -5.812 3.677 1.00 0.00 C ATOM 708 CD ARG A 46 -8.280 -5.845 5.208 1.00 0.00 C ATOM 709 NE ARG A 46 -8.847 -7.096 5.720 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.173 -7.294 5.801 1.00 0.00 C ATOM 711 NH1 ARG A 46 -11.018 -6.371 5.404 1.00 0.00 N ATOM 712 NH2 ARG A 46 -10.627 -8.426 6.277 1.00 0.00 N ATOM 0 H ARG A 46 -5.714 -4.520 1.581 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.575 -7.218 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.462 -6.891 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.296 -5.161 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.730 -4.857 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.999 -6.589 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.249 -5.743 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.833 -4.997 5.612 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.216 -7.838 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.670 -5.489 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.022 -6.536 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.975 -9.149 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.632 -8.585 6.342 1.00 0.00 H new ATOM 726 N MET A 47 -8.831 -4.848 0.915 1.00 0.00 N ATOM 727 CA MET A 47 -10.174 -4.572 0.400 1.00 0.00 C ATOM 728 C MET A 47 -10.239 -4.819 -1.113 1.00 0.00 C ATOM 729 O MET A 47 -11.288 -5.193 -1.641 1.00 0.00 O ATOM 730 CB MET A 47 -10.571 -3.122 0.693 1.00 0.00 C ATOM 731 CG MET A 47 -11.152 -3.031 2.107 1.00 0.00 C ATOM 732 SD MET A 47 -11.352 -1.292 2.568 1.00 0.00 S ATOM 733 CE MET A 47 -12.249 -1.566 4.116 1.00 0.00 C ATOM 0 H MET A 47 -8.295 -4.017 1.163 1.00 0.00 H new ATOM 0 HA MET A 47 -10.869 -5.246 0.900 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.702 -2.470 0.602 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.305 -2.779 -0.037 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.114 -3.542 2.150 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.493 -3.532 2.815 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.479 -0.606 4.578 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.176 -2.100 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.633 -2.157 4.794 1.00 0.00 H new ATOM 743 N LEU A 48 -9.105 -4.612 -1.799 1.00 0.00 N ATOM 744 CA LEU A 48 -9.035 -4.822 -3.249 1.00 0.00 C ATOM 745 C LEU A 48 -9.480 -6.240 -3.615 1.00 0.00 C ATOM 746 O LEU A 48 -10.277 -6.432 -4.535 1.00 0.00 O ATOM 747 CB LEU A 48 -7.600 -4.604 -3.752 1.00 0.00 C ATOM 748 CG LEU A 48 -7.469 -3.901 -5.109 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.343 -4.609 -6.148 1.00 0.00 C ATOM 750 CD2 LEU A 48 -7.915 -2.442 -4.979 1.00 0.00 C ATOM 0 H LEU A 48 -8.231 -4.302 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.703 -4.103 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.059 -4.020 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.106 -5.574 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.428 -3.936 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.246 -4.105 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.022 -5.646 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.384 -4.581 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.821 -1.945 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.954 -2.407 -4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.288 -1.934 -4.247 1.00 0.00 H new ATOM 762 N GLY A 49 -8.957 -7.229 -2.883 1.00 0.00 N ATOM 763 CA GLY A 49 -9.309 -8.629 -3.140 1.00 0.00 C ATOM 764 C GLY A 49 -8.343 -9.589 -2.444 1.00 0.00 C ATOM 765 O GLY A 49 -8.755 -10.621 -1.911 1.00 0.00 O ATOM 0 H GLY A 49 -8.297 -7.089 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.325 -8.819 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.299 -8.816 -4.214 1.00 0.00 H new ATOM 769 N GLN A 50 -7.051 -9.241 -2.456 1.00 0.00 N ATOM 770 CA GLN A 50 -6.030 -10.081 -1.823 1.00 0.00 C ATOM 771 C GLN A 50 -5.949 -9.790 -0.324 1.00 0.00 C ATOM 772 O GLN A 50 -6.691 -8.959 0.200 1.00 0.00 O ATOM 773 CB GLN A 50 -4.657 -9.823 -2.461 1.00 0.00 C ATOM 774 CG GLN A 50 -4.481 -10.721 -3.689 1.00 0.00 C ATOM 775 CD GLN A 50 -5.245 -10.132 -4.873 1.00 0.00 C ATOM 776 OE1 GLN A 50 -5.000 -8.993 -5.274 1.00 0.00 O ATOM 777 NE2 GLN A 50 -6.166 -10.846 -5.464 1.00 0.00 N ATOM 0 H GLN A 50 -6.691 -8.392 -2.893 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.310 -11.124 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.570 -8.775 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.866 -10.021 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.423 -10.812 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.846 -11.725 -3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.370 -11.789 -5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.681 -10.460 -6.256 1.00 0.00 H new ATOM 786 N ASN A 51 -5.041 -10.490 0.362 1.00 0.00 N ATOM 787 CA ASN A 51 -4.870 -10.302 1.802 1.00 0.00 C ATOM 788 C ASN A 51 -3.454 -10.708 2.230 1.00 0.00 C ATOM 789 O ASN A 51 -3.229 -11.827 2.698 1.00 0.00 O ATOM 790 CB ASN A 51 -5.904 -11.131 2.575 1.00 0.00 C ATOM 791 CG ASN A 51 -6.193 -10.471 3.920 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.617 -9.315 3.975 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.991 -11.142 5.022 1.00 0.00 N ATOM 0 H ASN A 51 -4.420 -11.185 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.019 -9.247 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.823 -11.215 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.531 -12.143 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.184 -10.709 5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.640 -12.099 4.979 1.00 0.00 H new ATOM 800 N PRO A 52 -2.485 -9.796 2.067 1.00 0.00 N ATOM 801 CA PRO A 52 -1.077 -10.053 2.434 1.00 0.00 C ATOM 802 C PRO A 52 -0.801 -9.837 3.924 1.00 0.00 C ATOM 803 O PRO A 52 -1.723 -9.681 4.728 1.00 0.00 O ATOM 804 CB PRO A 52 -0.333 -9.010 1.606 1.00 0.00 C ATOM 805 CG PRO A 52 -1.318 -7.887 1.318 1.00 0.00 C ATOM 806 CD PRO A 52 -2.731 -8.450 1.507 1.00 0.00 C ATOM 0 HA PRO A 52 -0.783 -11.085 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.534 -8.633 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.037 -9.446 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.148 -7.046 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.187 -7.514 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.323 -7.834 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.275 -8.499 0.563 1.00 0.00 H new ATOM 814 N THR A 53 0.486 -9.815 4.268 1.00 0.00 N ATOM 815 CA THR A 53 0.908 -9.600 5.651 1.00 0.00 C ATOM 816 C THR A 53 1.440 -8.174 5.803 1.00 0.00 C ATOM 817 O THR A 53 1.680 -7.488 4.806 1.00 0.00 O ATOM 818 CB THR A 53 2.009 -10.604 6.043 1.00 0.00 C ATOM 819 OG1 THR A 53 3.253 -10.198 5.486 1.00 0.00 O ATOM 820 CG2 THR A 53 1.651 -11.994 5.523 1.00 0.00 C ATOM 0 H THR A 53 1.254 -9.943 3.609 1.00 0.00 H new ATOM 0 HA THR A 53 0.050 -9.748 6.307 1.00 0.00 H new ATOM 0 HB THR A 53 2.091 -10.633 7.130 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.950 -10.839 5.740 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.433 -12.700 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.703 -12.312 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.561 -11.964 4.437 1.00 0.00 H new ATOM 828 N PRO A 54 1.649 -7.713 7.042 1.00 0.00 N ATOM 829 CA PRO A 54 2.175 -6.353 7.290 1.00 0.00 C ATOM 830 C PRO A 54 3.634 -6.203 6.857 1.00 0.00 C ATOM 831 O PRO A 54 4.081 -5.110 6.507 1.00 0.00 O ATOM 832 CB PRO A 54 2.014 -6.204 8.797 1.00 0.00 C ATOM 833 CG PRO A 54 1.948 -7.610 9.372 1.00 0.00 C ATOM 834 CD PRO A 54 1.399 -8.510 8.264 1.00 0.00 C ATOM 0 HA PRO A 54 1.653 -5.586 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.851 -5.651 9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.109 -5.646 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.935 -7.945 9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.303 -7.640 10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.912 -9.471 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.338 -8.719 8.401 1.00 0.00 H new ATOM 842 N GLU A 55 4.358 -7.324 6.859 1.00 0.00 N ATOM 843 CA GLU A 55 5.760 -7.329 6.440 1.00 0.00 C ATOM 844 C GLU A 55 5.843 -7.348 4.912 1.00 0.00 C ATOM 845 O GLU A 55 6.697 -6.688 4.315 1.00 0.00 O ATOM 846 CB GLU A 55 6.494 -8.557 6.993 1.00 0.00 C ATOM 847 CG GLU A 55 6.154 -8.745 8.475 1.00 0.00 C ATOM 848 CD GLU A 55 7.070 -9.804 9.082 1.00 0.00 C ATOM 849 OE1 GLU A 55 6.717 -10.971 9.022 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.111 -9.431 9.600 1.00 0.00 O ATOM 0 H GLU A 55 3.999 -8.235 7.144 1.00 0.00 H new ATOM 0 HA GLU A 55 6.233 -6.428 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.209 -9.446 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.570 -8.434 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.270 -7.801 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.112 -9.046 8.584 1.00 0.00 H new ATOM 857 N GLU A 56 4.937 -8.116 4.290 1.00 0.00 N ATOM 858 CA GLU A 56 4.895 -8.230 2.830 1.00 0.00 C ATOM 859 C GLU A 56 4.552 -6.884 2.191 1.00 0.00 C ATOM 860 O GLU A 56 5.320 -6.361 1.381 1.00 0.00 O ATOM 861 CB GLU A 56 3.849 -9.264 2.399 1.00 0.00 C ATOM 862 CG GLU A 56 4.523 -10.624 2.195 1.00 0.00 C ATOM 863 CD GLU A 56 3.476 -11.732 2.281 1.00 0.00 C ATOM 864 OE1 GLU A 56 2.568 -11.734 1.465 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.599 -12.567 3.163 1.00 0.00 O ATOM 0 H GLU A 56 4.227 -8.664 4.775 1.00 0.00 H new ATOM 0 HA GLU A 56 5.882 -8.549 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.069 -9.344 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.366 -8.944 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.020 -10.653 1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.292 -10.777 2.952 1.00 0.00 H new ATOM 872 N LEU A 57 3.389 -6.330 2.564 1.00 0.00 N ATOM 873 CA LEU A 57 2.951 -5.040 2.020 1.00 0.00 C ATOM 874 C LEU A 57 3.999 -3.947 2.260 1.00 0.00 C ATOM 875 O LEU A 57 4.134 -3.023 1.457 1.00 0.00 O ATOM 876 CB LEU A 57 1.621 -4.609 2.650 1.00 0.00 C ATOM 877 CG LEU A 57 1.668 -4.299 4.151 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.913 -2.801 4.367 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.336 -4.695 4.791 1.00 0.00 C ATOM 0 H LEU A 57 2.743 -6.750 3.232 1.00 0.00 H new ATOM 0 HA LEU A 57 2.820 -5.171 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.261 -3.724 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.888 -5.398 2.483 1.00 0.00 H new ATOM 0 HG LEU A 57 2.479 -4.864 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.945 -2.588 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.862 -2.518 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.106 -2.230 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.366 -4.476 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.473 -4.130 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.165 -5.761 4.644 1.00 0.00 H new ATOM 891 N GLN A 58 4.738 -4.064 3.372 1.00 0.00 N ATOM 892 CA GLN A 58 5.774 -3.080 3.709 1.00 0.00 C ATOM 893 C GLN A 58 6.789 -2.946 2.572 1.00 0.00 C ATOM 894 O GLN A 58 7.169 -1.836 2.191 1.00 0.00 O ATOM 895 CB GLN A 58 6.513 -3.487 4.992 1.00 0.00 C ATOM 896 CG GLN A 58 6.509 -2.321 5.987 1.00 0.00 C ATOM 897 CD GLN A 58 7.233 -1.118 5.382 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.457 -1.015 5.469 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.542 -0.194 4.770 1.00 0.00 N ATOM 0 H GLN A 58 4.639 -4.822 4.047 1.00 0.00 H new ATOM 0 HA GLN A 58 5.278 -2.122 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.034 -4.359 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.538 -3.773 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.484 -2.050 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.997 -2.621 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.528 -0.279 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.016 0.613 4.364 1.00 0.00 H new ATOM 908 N GLU A 59 7.222 -4.091 2.035 1.00 0.00 N ATOM 909 CA GLU A 59 8.196 -4.102 0.939 1.00 0.00 C ATOM 910 C GLU A 59 7.623 -3.433 -0.313 1.00 0.00 C ATOM 911 O GLU A 59 8.334 -2.719 -1.020 1.00 0.00 O ATOM 912 CB GLU A 59 8.597 -5.540 0.590 1.00 0.00 C ATOM 913 CG GLU A 59 9.419 -6.141 1.735 1.00 0.00 C ATOM 914 CD GLU A 59 9.243 -7.658 1.746 1.00 0.00 C ATOM 915 OE1 GLU A 59 8.240 -8.116 2.267 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.115 -8.338 1.230 1.00 0.00 O ATOM 0 H GLU A 59 6.916 -5.016 2.338 1.00 0.00 H new ATOM 0 HA GLU A 59 9.071 -3.546 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.706 -6.143 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.178 -5.552 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.472 -5.887 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.098 -5.720 2.688 1.00 0.00 H new ATOM 923 N MET A 60 6.332 -3.672 -0.576 1.00 0.00 N ATOM 924 CA MET A 60 5.674 -3.087 -1.750 1.00 0.00 C ATOM 925 C MET A 60 5.661 -1.561 -1.659 1.00 0.00 C ATOM 926 O MET A 60 5.929 -0.874 -2.643 1.00 0.00 O ATOM 927 CB MET A 60 4.231 -3.592 -1.873 1.00 0.00 C ATOM 928 CG MET A 60 4.201 -4.868 -2.720 1.00 0.00 C ATOM 929 SD MET A 60 4.218 -6.317 -1.635 1.00 0.00 S ATOM 930 CE MET A 60 4.587 -7.554 -2.905 1.00 0.00 C ATOM 0 H MET A 60 5.729 -4.259 0.000 1.00 0.00 H new ATOM 0 HA MET A 60 6.240 -3.392 -2.630 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.820 -3.791 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.605 -2.826 -2.330 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.309 -4.880 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.061 -4.892 -3.390 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.644 -8.541 -2.446 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.799 -7.549 -3.658 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.541 -7.318 -3.377 1.00 0.00 H new ATOM 940 N ILE A 61 5.341 -1.045 -0.468 1.00 0.00 N ATOM 941 CA ILE A 61 5.286 0.402 -0.243 1.00 0.00 C ATOM 942 C ILE A 61 6.600 1.077 -0.647 1.00 0.00 C ATOM 943 O ILE A 61 6.647 1.834 -1.617 1.00 0.00 O ATOM 944 CB ILE A 61 5.003 0.679 1.237 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.571 0.253 1.554 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.182 2.169 1.537 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.507 -0.307 2.971 1.00 0.00 C ATOM 0 H ILE A 61 5.117 -1.607 0.353 1.00 0.00 H new ATOM 0 HA ILE A 61 4.487 0.813 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 61 5.701 0.115 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.898 1.105 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.238 -0.499 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.978 2.355 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.205 2.466 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.490 2.749 0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.485 -0.611 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.168 -1.170 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.822 0.459 3.680 1.00 0.00 H new ATOM 959 N ASP A 62 7.659 0.802 0.118 1.00 0.00 N ATOM 960 CA ASP A 62 8.975 1.391 -0.153 1.00 0.00 C ATOM 961 C ASP A 62 9.400 1.164 -1.610 1.00 0.00 C ATOM 962 O ASP A 62 10.032 2.028 -2.221 1.00 0.00 O ATOM 963 CB ASP A 62 10.033 0.782 0.774 1.00 0.00 C ATOM 964 CG ASP A 62 9.732 1.161 2.223 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.004 0.423 2.869 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.234 2.180 2.667 1.00 0.00 O ATOM 0 H ASP A 62 7.633 0.179 0.925 1.00 0.00 H new ATOM 0 HA ASP A 62 8.896 2.463 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.043 -0.303 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.024 1.139 0.494 1.00 0.00 H new ATOM 971 N GLU A 63 9.050 -0.007 -2.158 1.00 0.00 N ATOM 972 CA GLU A 63 9.406 -0.338 -3.541 1.00 0.00 C ATOM 973 C GLU A 63 8.696 0.584 -4.539 1.00 0.00 C ATOM 974 O GLU A 63 9.331 1.139 -5.438 1.00 0.00 O ATOM 975 CB GLU A 63 9.033 -1.790 -3.863 1.00 0.00 C ATOM 976 CG GLU A 63 10.222 -2.709 -3.561 1.00 0.00 C ATOM 977 CD GLU A 63 11.237 -2.629 -4.700 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.997 -3.243 -5.728 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.240 -1.956 -4.527 1.00 0.00 O ATOM 0 H GLU A 63 8.526 -0.733 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 63 10.483 -0.202 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.168 -2.093 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.750 -1.879 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.691 -2.416 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.878 -3.736 -3.439 1.00 0.00 H new ATOM 986 N VAL A 64 7.376 0.730 -4.383 1.00 0.00 N ATOM 987 CA VAL A 64 6.593 1.578 -5.294 1.00 0.00 C ATOM 988 C VAL A 64 6.874 3.068 -5.075 1.00 0.00 C ATOM 989 O VAL A 64 6.655 3.876 -5.975 1.00 0.00 O ATOM 990 CB VAL A 64 5.083 1.331 -5.133 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.781 -0.164 -5.262 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.609 1.830 -3.762 1.00 0.00 C ATOM 0 H VAL A 64 6.832 0.280 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 64 6.902 1.304 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 64 4.555 1.876 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.710 -0.330 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.099 -0.516 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.318 -0.712 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.539 1.650 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.144 1.297 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.807 2.898 -3.675 1.00 0.00 H new ATOM 1002 N ASP A 65 7.349 3.428 -3.875 1.00 0.00 N ATOM 1003 CA ASP A 65 7.639 4.830 -3.574 1.00 0.00 C ATOM 1004 C ASP A 65 8.822 5.311 -4.418 1.00 0.00 C ATOM 1005 O ASP A 65 9.983 5.199 -4.015 1.00 0.00 O ATOM 1006 CB ASP A 65 7.961 5.013 -2.084 1.00 0.00 C ATOM 1007 CG ASP A 65 7.303 6.290 -1.549 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.246 7.269 -2.278 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.869 6.271 -0.411 1.00 0.00 O ATOM 0 H ASP A 65 7.537 2.778 -3.111 1.00 0.00 H new ATOM 0 HA ASP A 65 6.755 5.421 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.607 4.150 -1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.040 5.065 -1.942 1.00 0.00 H new ATOM 1014 N GLU A 66 8.506 5.831 -5.604 1.00 0.00 N ATOM 1015 CA GLU A 66 9.533 6.318 -6.528 1.00 0.00 C ATOM 1016 C GLU A 66 10.148 7.632 -6.038 1.00 0.00 C ATOM 1017 O GLU A 66 11.351 7.856 -6.190 1.00 0.00 O ATOM 1018 CB GLU A 66 8.937 6.530 -7.925 1.00 0.00 C ATOM 1019 CG GLU A 66 8.559 5.174 -8.535 1.00 0.00 C ATOM 1020 CD GLU A 66 7.168 5.260 -9.162 1.00 0.00 C ATOM 1021 OE1 GLU A 66 7.086 5.599 -10.332 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.204 4.983 -8.464 1.00 0.00 O ATOM 0 H GLU A 66 7.550 5.926 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 66 10.317 5.562 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.057 7.170 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.657 7.040 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.291 4.887 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.575 4.402 -7.766 1.00 0.00 H new ATOM 1029 N ASP A 67 9.317 8.495 -5.446 1.00 0.00 N ATOM 1030 CA ASP A 67 9.805 9.784 -4.939 1.00 0.00 C ATOM 1031 C ASP A 67 10.322 9.653 -3.502 1.00 0.00 C ATOM 1032 O ASP A 67 11.283 10.322 -3.120 1.00 0.00 O ATOM 1033 CB ASP A 67 8.710 10.869 -4.987 1.00 0.00 C ATOM 1034 CG ASP A 67 7.352 10.298 -4.569 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.168 10.048 -3.390 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.512 10.131 -5.438 1.00 0.00 O ATOM 0 H ASP A 67 8.320 8.331 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 67 10.624 10.086 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.981 11.693 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.642 11.277 -5.995 1.00 0.00 H new ATOM 1041 N GLY A 68 9.670 8.795 -2.709 1.00 0.00 N ATOM 1042 CA GLY A 68 10.068 8.596 -1.316 1.00 0.00 C ATOM 1043 C GLY A 68 9.719 9.828 -0.485 1.00 0.00 C ATOM 1044 O GLY A 68 10.549 10.337 0.270 1.00 0.00 O ATOM 0 H GLY A 68 8.872 8.233 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.565 7.719 -0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.139 8.403 -1.261 1.00 0.00 H new ATOM 1048 N SER A 69 8.482 10.305 -0.649 1.00 0.00 N ATOM 1049 CA SER A 69 8.020 11.492 0.072 1.00 0.00 C ATOM 1050 C SER A 69 7.386 11.119 1.413 1.00 0.00 C ATOM 1051 O SER A 69 7.716 11.699 2.450 1.00 0.00 O ATOM 1052 CB SER A 69 6.991 12.260 -0.765 1.00 0.00 C ATOM 1053 OG SER A 69 5.955 11.374 -1.183 1.00 0.00 O ATOM 0 H SER A 69 7.788 9.890 -1.270 1.00 0.00 H new ATOM 0 HA SER A 69 8.892 12.119 0.255 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.570 13.078 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.475 12.706 -1.634 1.00 0.00 H new ATOM 0 HG SER A 69 6.237 10.900 -1.993 1.00 0.00 H new ATOM 1059 N GLY A 70 6.463 10.156 1.376 1.00 0.00 N ATOM 1060 CA GLY A 70 5.767 9.716 2.587 1.00 0.00 C ATOM 1061 C GLY A 70 4.359 9.211 2.260 1.00 0.00 C ATOM 1062 O GLY A 70 3.792 8.407 3.001 1.00 0.00 O ATOM 0 H GLY A 70 6.181 9.668 0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.338 8.923 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.705 10.542 3.295 1.00 0.00 H new ATOM 1066 N THR A 71 3.801 9.696 1.144 1.00 0.00 N ATOM 1067 CA THR A 71 2.461 9.292 0.720 1.00 0.00 C ATOM 1068 C THR A 71 2.537 8.489 -0.579 1.00 0.00 C ATOM 1069 O THR A 71 3.472 8.649 -1.367 1.00 0.00 O ATOM 1070 CB THR A 71 1.582 10.528 0.490 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.136 11.319 -0.555 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.518 11.355 1.775 1.00 0.00 C ATOM 0 H THR A 71 4.256 10.365 0.523 1.00 0.00 H new ATOM 0 HA THR A 71 2.026 8.675 1.506 1.00 0.00 H new ATOM 0 HB THR A 71 0.577 10.210 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.413 11.734 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.893 12.233 1.612 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.092 10.751 2.576 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.523 11.671 2.055 1.00 0.00 H new ATOM 1080 N VAL A 72 1.539 7.628 -0.799 1.00 0.00 N ATOM 1081 CA VAL A 72 1.505 6.814 -2.012 1.00 0.00 C ATOM 1082 C VAL A 72 0.513 7.399 -3.013 1.00 0.00 C ATOM 1083 O VAL A 72 -0.689 7.469 -2.751 1.00 0.00 O ATOM 1084 CB VAL A 72 1.105 5.366 -1.705 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.276 4.514 -2.966 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.999 4.811 -0.593 1.00 0.00 C ATOM 0 H VAL A 72 0.756 7.479 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 72 2.509 6.818 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 72 0.064 5.338 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.992 3.484 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.640 4.907 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.317 4.544 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.713 3.782 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.040 4.838 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.881 5.417 0.305 1.00 0.00 H new ATOM 1096 N ASP A 73 1.038 7.810 -4.166 1.00 0.00 N ATOM 1097 CA ASP A 73 0.204 8.384 -5.220 1.00 0.00 C ATOM 1098 C ASP A 73 -0.387 7.271 -6.084 1.00 0.00 C ATOM 1099 O ASP A 73 -0.044 6.099 -5.923 1.00 0.00 O ATOM 1100 CB ASP A 73 1.029 9.325 -6.108 1.00 0.00 C ATOM 1101 CG ASP A 73 1.753 10.355 -5.240 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.104 11.290 -4.796 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.945 10.193 -5.032 1.00 0.00 O ATOM 0 H ASP A 73 2.031 7.757 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.600 8.950 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.752 8.752 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.378 9.830 -6.821 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.280 7.649 -7.001 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.915 6.672 -7.891 1.00 0.00 C ATOM 1110 C PHE A 74 -0.869 5.972 -8.766 1.00 0.00 C ATOM 1111 O PHE A 74 -1.007 4.790 -9.080 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.954 7.359 -8.786 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.921 6.336 -9.344 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.432 5.322 -8.522 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.308 6.408 -10.686 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.327 4.382 -9.044 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.205 5.468 -11.208 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.714 4.455 -10.386 1.00 0.00 C ATOM 0 H PHE A 74 -1.578 8.613 -7.147 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.412 5.926 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.498 8.110 -8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.454 7.881 -9.602 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.135 5.266 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.915 7.189 -11.320 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.719 3.600 -8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.504 5.524 -12.244 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.406 3.730 -10.789 1.00 0.00 H new ATOM 1128 N ASP A 75 0.188 6.707 -9.137 1.00 0.00 N ATOM 1129 CA ASP A 75 1.261 6.136 -9.960 1.00 0.00 C ATOM 1130 C ASP A 75 2.007 5.060 -9.173 1.00 0.00 C ATOM 1131 O ASP A 75 2.346 4.006 -9.708 1.00 0.00 O ATOM 1132 CB ASP A 75 2.255 7.223 -10.384 1.00 0.00 C ATOM 1133 CG ASP A 75 1.866 7.764 -11.756 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.065 8.683 -11.802 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.374 7.251 -12.740 1.00 0.00 O ATOM 0 H ASP A 75 0.322 7.686 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 75 0.809 5.698 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.261 8.030 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.265 6.814 -10.416 1.00 0.00 H new ATOM 1140 N GLU A 76 2.237 5.338 -7.885 1.00 0.00 N ATOM 1141 CA GLU A 76 2.924 4.390 -7.001 1.00 0.00 C ATOM 1142 C GLU A 76 1.959 3.280 -6.564 1.00 0.00 C ATOM 1143 O GLU A 76 2.377 2.191 -6.172 1.00 0.00 O ATOM 1144 CB GLU A 76 3.466 5.106 -5.753 1.00 0.00 C ATOM 1145 CG GLU A 76 4.062 6.462 -6.154 1.00 0.00 C ATOM 1146 CD GLU A 76 4.726 7.123 -4.945 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.016 7.474 -4.019 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.936 7.280 -4.967 1.00 0.00 O ATOM 0 H GLU A 76 1.959 6.209 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 76 3.757 3.955 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.665 5.250 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.226 4.492 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.793 6.325 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.279 7.110 -6.548 1.00 0.00 H new ATOM 1155 N PHE A 77 0.658 3.578 -6.643 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.380 2.619 -6.263 1.00 0.00 C ATOM 1157 C PHE A 77 -0.576 1.562 -7.361 1.00 0.00 C ATOM 1158 O PHE A 77 -0.768 0.381 -7.067 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.703 3.366 -6.016 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.796 2.399 -5.623 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.933 1.991 -4.288 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.680 1.916 -6.597 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.953 1.098 -3.932 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.698 1.025 -6.240 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.835 0.616 -4.908 1.00 0.00 C ATOM 0 H PHE A 77 0.300 4.477 -6.967 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.068 2.111 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.566 4.108 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.995 3.907 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.254 2.364 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.575 2.232 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.059 0.781 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.378 0.653 -6.992 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.621 -0.072 -4.633 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.539 1.998 -8.625 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.727 1.081 -9.756 1.00 0.00 C ATOM 1177 C LEU A 78 0.520 0.231 -10.022 1.00 0.00 C ATOM 1178 O LEU A 78 0.408 -0.943 -10.383 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.060 1.866 -11.020 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.439 2.527 -11.027 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.341 3.889 -11.714 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.431 1.638 -11.782 1.00 0.00 C ATOM 0 H LEU A 78 -0.382 2.970 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.549 0.416 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.303 2.638 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.992 1.194 -11.875 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.786 2.660 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.322 4.364 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.636 4.520 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.995 3.755 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.413 2.111 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.090 1.502 -12.808 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.497 0.668 -11.290 1.00 0.00 H new ATOM 1194 N VAL A 79 1.705 0.832 -9.856 1.00 0.00 N ATOM 1195 CA VAL A 79 2.963 0.108 -10.098 1.00 0.00 C ATOM 1196 C VAL A 79 3.061 -1.147 -9.226 1.00 0.00 C ATOM 1197 O VAL A 79 3.689 -2.125 -9.618 1.00 0.00 O ATOM 1198 CB VAL A 79 4.189 0.991 -9.829 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.290 2.078 -10.902 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.078 1.645 -8.449 1.00 0.00 C ATOM 0 H VAL A 79 1.821 1.801 -9.560 1.00 0.00 H new ATOM 0 HA VAL A 79 2.954 -0.179 -11.150 1.00 0.00 H new ATOM 0 HB VAL A 79 5.083 0.368 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.162 2.702 -10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.389 1.613 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.391 2.694 -10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.954 2.269 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.180 2.261 -8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.021 0.871 -7.683 1.00 0.00 H new ATOM 1210 N MET A 80 2.432 -1.104 -8.045 1.00 0.00 N ATOM 1211 CA MET A 80 2.446 -2.245 -7.118 1.00 0.00 C ATOM 1212 C MET A 80 2.226 -3.575 -7.854 1.00 0.00 C ATOM 1213 O MET A 80 2.848 -4.587 -7.523 1.00 0.00 O ATOM 1214 CB MET A 80 1.346 -2.084 -6.065 1.00 0.00 C ATOM 1215 CG MET A 80 1.945 -1.525 -4.773 1.00 0.00 C ATOM 1216 SD MET A 80 0.710 -1.605 -3.452 1.00 0.00 S ATOM 1217 CE MET A 80 -0.374 -0.295 -4.073 1.00 0.00 C ATOM 0 H MET A 80 1.909 -0.296 -7.709 1.00 0.00 H new ATOM 0 HA MET A 80 3.427 -2.262 -6.643 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.569 -1.415 -6.436 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.872 -3.046 -5.871 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.830 -2.096 -4.493 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.265 -0.494 -4.924 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.603 0.401 -3.266 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.126 0.239 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.299 -0.735 -4.446 1.00 0.00 H new ATOM 1227 N MET A 81 1.334 -3.558 -8.852 1.00 0.00 N ATOM 1228 CA MET A 81 1.033 -4.766 -9.630 1.00 0.00 C ATOM 1229 C MET A 81 2.244 -5.212 -10.454 1.00 0.00 C ATOM 1230 O MET A 81 2.716 -6.342 -10.317 1.00 0.00 O ATOM 1231 CB MET A 81 -0.143 -4.516 -10.582 1.00 0.00 C ATOM 1232 CG MET A 81 -1.454 -4.904 -9.896 1.00 0.00 C ATOM 1233 SD MET A 81 -1.755 -6.675 -10.126 1.00 0.00 S ATOM 1234 CE MET A 81 -1.906 -7.114 -8.377 1.00 0.00 C ATOM 0 H MET A 81 0.812 -2.729 -9.138 1.00 0.00 H new ATOM 0 HA MET A 81 0.774 -5.551 -8.919 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.171 -3.466 -10.873 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.014 -5.097 -11.495 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.404 -4.668 -8.833 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.279 -4.327 -10.313 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.097 -8.183 -8.285 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.980 -6.865 -7.858 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.732 -6.558 -7.932 1.00 0.00 H new ATOM 1244 N VAL A 82 2.732 -4.317 -11.318 1.00 0.00 N ATOM 1245 CA VAL A 82 3.884 -4.629 -12.177 1.00 0.00 C ATOM 1246 C VAL A 82 5.160 -4.851 -11.352 1.00 0.00 C ATOM 1247 O VAL A 82 6.020 -5.647 -11.732 1.00 0.00 O ATOM 1248 CB VAL A 82 4.128 -3.509 -13.200 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.948 -3.432 -14.173 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.282 -2.162 -12.484 1.00 0.00 C ATOM 0 H VAL A 82 2.353 -3.378 -11.443 1.00 0.00 H new ATOM 0 HA VAL A 82 3.645 -5.552 -12.705 1.00 0.00 H new ATOM 0 HB VAL A 82 5.043 -3.730 -13.749 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.125 -2.637 -14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.845 -4.383 -14.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.033 -3.222 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.454 -1.376 -13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.373 -1.942 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.128 -2.209 -11.798 1.00 0.00 H new ATOM 1260 N ARG A 83 5.274 -4.145 -10.219 1.00 0.00 N ATOM 1261 CA ARG A 83 6.449 -4.278 -9.346 1.00 0.00 C ATOM 1262 C ARG A 83 6.604 -5.717 -8.845 1.00 0.00 C ATOM 1263 O ARG A 83 7.712 -6.158 -8.537 1.00 0.00 O ATOM 1264 CB ARG A 83 6.332 -3.342 -8.139 1.00 0.00 C ATOM 1265 CG ARG A 83 6.611 -1.905 -8.581 1.00 0.00 C ATOM 1266 CD ARG A 83 7.258 -1.128 -7.432 1.00 0.00 C ATOM 1267 NE ARG A 83 8.665 -0.837 -7.724 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.027 0.154 -8.552 1.00 0.00 C ATOM 1269 NH1 ARG A 83 8.125 0.904 -9.143 1.00 0.00 N ATOM 1270 NH2 ARG A 83 10.298 0.378 -8.775 1.00 0.00 N ATOM 0 H ARG A 83 4.574 -3.482 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 83 7.325 -4.009 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.335 -3.413 -7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.039 -3.640 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.269 -1.903 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.682 -1.420 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.716 -0.196 -7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.186 -1.706 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 83 9.390 -1.405 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.133 0.737 -8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.417 1.654 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.005 -0.200 -8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.581 1.130 -9.404 1.00 0.00 H new ATOM 1284 N CYS A 84 5.483 -6.445 -8.775 1.00 0.00 N ATOM 1285 CA CYS A 84 5.508 -7.839 -8.319 1.00 0.00 C ATOM 1286 C CYS A 84 6.345 -8.706 -9.267 1.00 0.00 C ATOM 1287 O CYS A 84 6.930 -9.708 -8.851 1.00 0.00 O ATOM 1288 CB CYS A 84 4.088 -8.410 -8.236 1.00 0.00 C ATOM 1289 SG CYS A 84 3.239 -7.713 -6.797 1.00 0.00 S ATOM 0 H CYS A 84 4.558 -6.097 -9.025 1.00 0.00 H new ATOM 0 HA CYS A 84 5.959 -7.853 -7.327 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.536 -8.175 -9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.126 -9.497 -8.158 1.00 0.00 H new ATOM 0 HG CYS A 84 3.033 -6.444 -6.987 1.00 0.00 H new