USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 445 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.316 K(o=-0.32,f=-0.94) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -149:sc= -0.951 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 178:sc= -2.28 (180deg=-2.33) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0496 (180deg=-0.392) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.0992 F(o=-0.9,f=0.099) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0305 X(o=-0.03,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0248 (180deg=-0.229) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.724 (180deg=-0.814) USER MOD Single : A 58 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= -0.182 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -4.931 -8.281 -7.061 1.00 0.00 N ATOM 89 CA GLU A 7 -6.087 -7.782 -6.325 1.00 0.00 C ATOM 90 C GLU A 7 -7.218 -8.806 -6.328 1.00 0.00 C ATOM 91 O GLU A 7 -7.063 -9.918 -6.836 1.00 0.00 O ATOM 92 CB GLU A 7 -6.575 -6.465 -6.932 1.00 0.00 C ATOM 93 CG GLU A 7 -5.605 -5.311 -6.743 1.00 0.00 C ATOM 94 CD GLU A 7 -5.817 -4.200 -7.753 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.670 -3.323 -7.499 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.130 -4.206 -8.795 1.00 0.00 O ATOM 0 HA GLU A 7 -5.781 -7.608 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.751 -6.609 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.533 -6.201 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.717 -4.908 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.584 -5.682 -6.826 1.00 0.00 H new ATOM 103 N LEU A 8 -8.355 -8.425 -5.758 1.00 0.00 N ATOM 104 CA LEU A 8 -9.514 -9.309 -5.694 1.00 0.00 C ATOM 105 C LEU A 8 -10.676 -8.745 -6.505 1.00 0.00 C ATOM 106 O LEU A 8 -10.929 -7.540 -6.490 1.00 0.00 O ATOM 107 CB LEU A 8 -9.944 -9.514 -4.240 1.00 0.00 C ATOM 108 CG LEU A 8 -9.267 -10.667 -3.497 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.752 -12.005 -4.032 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.754 -10.561 -3.612 1.00 0.00 C ATOM 0 H LEU A 8 -8.500 -7.509 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.230 -10.270 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.752 -8.592 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.021 -9.678 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.536 -10.602 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.259 -12.813 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.831 -12.082 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.514 -12.080 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.290 -11.390 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.465 -10.600 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.421 -9.618 -3.179 1.00 0.00 H new ATOM 122 N VAL A 9 -11.380 -9.623 -7.211 1.00 0.00 N ATOM 123 CA VAL A 9 -12.518 -9.213 -8.025 1.00 0.00 C ATOM 124 C VAL A 9 -13.757 -10.038 -7.694 1.00 0.00 C ATOM 125 O VAL A 9 -13.671 -11.248 -7.478 1.00 0.00 O ATOM 126 CB VAL A 9 -12.210 -9.350 -9.528 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.078 -8.418 -9.929 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.871 -10.793 -9.873 1.00 0.00 C ATOM 0 H VAL A 9 -11.182 -10.623 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.711 -8.165 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.099 -9.065 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.875 -8.529 -10.994 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.364 -7.387 -9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.182 -8.668 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.656 -10.871 -10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.997 -11.108 -9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.717 -11.435 -9.625 1.00 0.00 H new ATOM 138 N LEU A 10 -14.908 -9.377 -7.656 1.00 0.00 N ATOM 139 CA LEU A 10 -16.167 -10.048 -7.352 1.00 0.00 C ATOM 140 C LEU A 10 -16.895 -10.445 -8.631 1.00 0.00 C ATOM 141 O LEU A 10 -16.799 -9.761 -9.650 1.00 0.00 O ATOM 142 CB LEU A 10 -17.059 -9.141 -6.503 1.00 0.00 C ATOM 143 CG LEU A 10 -18.238 -9.821 -5.806 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.558 -9.121 -4.494 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.458 -9.840 -6.715 1.00 0.00 C ATOM 0 H LEU A 10 -14.996 -8.376 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.941 -10.954 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.440 -8.664 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.448 -8.348 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.959 -10.852 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.400 -9.619 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.688 -9.162 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.816 -8.080 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.287 -10.328 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.739 -8.818 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.223 -10.388 -7.627 1.00 0.00 H new ATOM 157 N ALA A 11 -17.626 -11.554 -8.571 1.00 0.00 N ATOM 158 CA ALA A 11 -18.375 -12.039 -9.723 1.00 0.00 C ATOM 159 C ALA A 11 -19.757 -11.399 -9.790 1.00 0.00 C ATOM 160 O ALA A 11 -20.552 -11.517 -8.856 1.00 0.00 O ATOM 161 CB ALA A 11 -18.495 -13.555 -9.674 1.00 0.00 C ATOM 0 H ALA A 11 -17.715 -12.133 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.830 -11.757 -10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.057 -13.904 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.500 -13.999 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.015 -13.850 -8.762 1.00 0.00 H new ATOM 167 N LEU A 12 -20.037 -10.720 -10.897 1.00 0.00 N ATOM 168 CA LEU A 12 -21.324 -10.060 -11.085 1.00 0.00 C ATOM 169 C LEU A 12 -22.450 -11.083 -11.196 1.00 0.00 C ATOM 170 O LEU A 12 -23.378 -11.090 -10.387 1.00 0.00 O ATOM 171 CB LEU A 12 -21.291 -9.182 -12.337 1.00 0.00 C ATOM 172 CG LEU A 12 -20.266 -8.047 -12.335 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.148 -7.432 -13.720 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.645 -6.989 -11.309 1.00 0.00 C ATOM 0 H LEU A 12 -19.390 -10.612 -11.678 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.513 -9.433 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.095 -9.820 -13.199 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.281 -8.750 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.295 -8.460 -12.060 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.414 -6.626 -13.699 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.829 -8.195 -14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.116 -7.034 -14.025 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.905 -6.189 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.625 -6.580 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.677 -7.439 -10.317 1.00 0.00 H new ATOM 186 N TYR A 13 -22.360 -11.946 -12.202 1.00 0.00 N ATOM 187 CA TYR A 13 -23.371 -12.974 -12.419 1.00 0.00 C ATOM 188 C TYR A 13 -22.743 -14.364 -12.421 1.00 0.00 C ATOM 189 O TYR A 13 -21.536 -14.513 -12.231 1.00 0.00 O ATOM 190 CB TYR A 13 -24.101 -12.730 -13.742 1.00 0.00 C ATOM 191 CG TYR A 13 -24.503 -11.288 -13.954 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.511 -10.709 -13.193 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.877 -10.506 -14.916 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.883 -9.392 -13.383 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.241 -9.188 -15.113 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.245 -8.636 -14.344 1.00 0.00 C ATOM 197 OH TYR A 13 -25.611 -7.323 -14.538 1.00 0.00 O ATOM 0 H TYR A 13 -21.598 -11.954 -12.880 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.089 -12.920 -11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.459 -13.044 -14.565 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.993 -13.356 -13.776 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.012 -11.299 -12.440 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -23.092 -10.936 -15.521 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.669 -8.957 -12.783 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.743 -8.593 -15.864 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.063 -6.933 -15.251 1.00 0.00 H new ATOM 207 N ASP A 14 -23.571 -15.380 -12.638 1.00 0.00 N ATOM 208 CA ASP A 14 -23.099 -16.759 -12.666 1.00 0.00 C ATOM 209 C ASP A 14 -22.588 -17.130 -14.055 1.00 0.00 C ATOM 210 O ASP A 14 -23.059 -16.602 -15.062 1.00 0.00 O ATOM 211 CB ASP A 14 -24.219 -17.714 -12.250 1.00 0.00 C ATOM 212 CG ASP A 14 -25.266 -17.885 -13.334 1.00 0.00 C ATOM 213 OD1 ASP A 14 -25.072 -18.749 -14.214 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.279 -17.154 -13.302 1.00 0.00 O ATOM 0 H ASP A 14 -24.573 -15.274 -12.797 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.275 -16.849 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.791 -18.686 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.696 -17.338 -11.345 1.00 0.00 H new ATOM 219 N TYR A 15 -21.621 -18.039 -14.101 1.00 0.00 N ATOM 220 CA TYR A 15 -21.043 -18.478 -15.366 1.00 0.00 C ATOM 221 C TYR A 15 -20.563 -19.923 -15.273 1.00 0.00 C ATOM 222 O TYR A 15 -20.533 -20.510 -14.192 1.00 0.00 O ATOM 223 CB TYR A 15 -19.880 -17.567 -15.762 1.00 0.00 C ATOM 224 CG TYR A 15 -19.654 -17.489 -17.255 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.584 -16.881 -18.088 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.508 -18.024 -17.832 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.382 -16.809 -19.453 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.297 -17.955 -19.196 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.237 -17.347 -20.002 1.00 0.00 C ATOM 230 OH TYR A 15 -19.030 -17.275 -21.361 1.00 0.00 O ATOM 0 H TYR A 15 -21.220 -18.487 -13.277 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.818 -18.420 -16.130 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.068 -16.564 -15.378 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.969 -17.926 -15.283 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.481 -16.457 -17.661 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.770 -18.501 -17.204 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.117 -16.334 -20.086 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.401 -18.375 -19.629 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.176 -17.700 -21.585 1.00 0.00 H new ATOM 240 N GLN A 16 -20.188 -20.489 -16.416 1.00 0.00 N ATOM 241 CA GLN A 16 -19.709 -21.865 -16.464 1.00 0.00 C ATOM 242 C GLN A 16 -18.448 -21.973 -17.317 1.00 0.00 C ATOM 243 O GLN A 16 -18.167 -21.100 -18.137 1.00 0.00 O ATOM 244 CB GLN A 16 -20.796 -22.787 -17.021 1.00 0.00 C ATOM 245 CG GLN A 16 -21.734 -23.332 -15.958 1.00 0.00 C ATOM 246 CD GLN A 16 -22.792 -22.329 -15.543 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.832 -21.890 -14.393 1.00 0.00 O ATOM 248 NE2 GLN A 16 -23.658 -21.959 -16.480 1.00 0.00 N ATOM 0 H GLN A 16 -20.207 -20.016 -17.320 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.466 -22.174 -15.447 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.379 -22.241 -17.763 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.323 -23.621 -17.539 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -22.220 -24.232 -16.335 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.154 -23.625 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.589 -22.348 -17.421 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.392 -21.286 -16.259 1.00 0.00 H new ATOM 257 N GLU A 17 -17.694 -23.049 -17.116 1.00 0.00 N ATOM 258 CA GLU A 17 -16.463 -23.270 -17.865 1.00 0.00 C ATOM 259 C GLU A 17 -16.768 -23.672 -19.306 1.00 0.00 C ATOM 260 O GLU A 17 -16.669 -24.844 -19.669 1.00 0.00 O ATOM 261 CB GLU A 17 -15.615 -24.350 -17.191 1.00 0.00 C ATOM 262 CG GLU A 17 -16.378 -25.633 -16.905 1.00 0.00 C ATOM 263 CD GLU A 17 -15.535 -26.874 -17.123 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.763 -27.235 -16.210 1.00 0.00 O ATOM 265 OE2 GLU A 17 -15.647 -27.484 -18.207 1.00 0.00 O ATOM 0 H GLU A 17 -17.914 -23.781 -16.441 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.903 -22.335 -17.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.761 -24.580 -17.828 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.218 -23.957 -16.255 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.735 -25.617 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -17.258 -25.679 -17.547 1.00 0.00 H new ATOM 272 N LYS A 18 -17.139 -22.692 -20.122 1.00 0.00 N ATOM 273 CA LYS A 18 -17.458 -22.941 -21.522 1.00 0.00 C ATOM 274 C LYS A 18 -16.230 -23.433 -22.281 1.00 0.00 C ATOM 275 O LYS A 18 -16.349 -24.097 -23.310 1.00 0.00 O ATOM 276 CB LYS A 18 -17.999 -21.668 -22.178 1.00 0.00 C ATOM 277 CG LYS A 18 -19.437 -21.354 -21.802 1.00 0.00 C ATOM 278 CD LYS A 18 -20.412 -22.285 -22.504 1.00 0.00 C ATOM 279 CE LYS A 18 -21.811 -22.172 -21.916 1.00 0.00 C ATOM 280 NZ LYS A 18 -22.648 -21.193 -22.662 1.00 0.00 N ATOM 0 H LYS A 18 -17.226 -21.716 -19.837 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.223 -23.716 -21.561 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.366 -20.827 -21.895 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.929 -21.770 -23.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.560 -21.443 -20.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.666 -20.321 -22.064 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.443 -22.047 -23.567 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.062 -23.313 -22.417 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.293 -23.150 -21.934 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.743 -21.870 -20.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -23.593 -21.145 -22.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -22.202 -20.254 -22.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.735 -21.495 -23.653 1.00 0.00 H new ATOM 294 N SER A 19 -15.050 -23.104 -21.765 1.00 0.00 N ATOM 295 CA SER A 19 -13.799 -23.512 -22.395 1.00 0.00 C ATOM 296 C SER A 19 -12.961 -24.357 -21.441 1.00 0.00 C ATOM 297 O SER A 19 -13.156 -24.346 -20.226 1.00 0.00 O ATOM 298 CB SER A 19 -13.004 -22.283 -22.839 1.00 0.00 C ATOM 299 OG SER A 19 -13.822 -21.126 -22.861 1.00 0.00 O ATOM 0 H SER A 19 -14.934 -22.556 -20.913 1.00 0.00 H new ATOM 0 HA SER A 19 -14.040 -24.116 -23.270 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.164 -22.125 -22.162 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.586 -22.455 -23.831 1.00 0.00 H new ATOM 0 HG SER A 19 -13.506 -20.515 -23.560 1.00 0.00 H new ATOM 305 N PRO A 20 -12.003 -25.109 -22.004 1.00 0.00 N ATOM 306 CA PRO A 20 -11.114 -25.974 -21.224 1.00 0.00 C ATOM 307 C PRO A 20 -10.128 -25.179 -20.376 1.00 0.00 C ATOM 308 O PRO A 20 -9.426 -25.739 -19.534 1.00 0.00 O ATOM 309 CB PRO A 20 -10.373 -26.779 -22.294 1.00 0.00 C ATOM 310 CG PRO A 20 -10.410 -25.918 -23.509 1.00 0.00 C ATOM 311 CD PRO A 20 -11.714 -25.171 -23.447 1.00 0.00 C ATOM 0 HA PRO A 20 -11.665 -26.590 -20.514 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.348 -26.991 -21.990 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.858 -27.739 -22.474 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.566 -25.229 -23.525 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.347 -26.520 -24.416 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.628 -24.176 -23.883 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.501 -25.691 -23.993 1.00 0.00 H new ATOM 319 N ARG A 21 -10.080 -23.870 -20.604 1.00 0.00 N ATOM 320 CA ARG A 21 -9.178 -22.998 -19.862 1.00 0.00 C ATOM 321 C ARG A 21 -9.956 -22.099 -18.905 1.00 0.00 C ATOM 322 O ARG A 21 -9.382 -21.500 -17.996 1.00 0.00 O ATOM 323 CB ARG A 21 -8.354 -22.142 -20.825 1.00 0.00 C ATOM 324 CG ARG A 21 -7.430 -22.951 -21.721 1.00 0.00 C ATOM 325 CD ARG A 21 -6.151 -23.341 -20.995 1.00 0.00 C ATOM 326 NE ARG A 21 -5.183 -22.248 -20.966 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.399 -21.934 -21.990 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.468 -22.626 -23.119 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.543 -20.925 -21.887 1.00 0.00 N ATOM 0 H ARG A 21 -10.655 -23.391 -21.297 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.505 -23.626 -19.278 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.031 -21.558 -21.448 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.759 -21.433 -20.249 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.945 -23.849 -22.061 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.183 -22.370 -22.610 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.390 -23.640 -19.975 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.706 -24.207 -21.485 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.105 -21.696 -20.112 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.125 -23.402 -23.202 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.864 -22.382 -23.904 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.487 -20.390 -21.020 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.941 -20.685 -22.674 1.00 0.00 H new ATOM 343 N GLU A 22 -11.266 -22.011 -19.117 1.00 0.00 N ATOM 344 CA GLU A 22 -12.121 -21.184 -18.274 1.00 0.00 C ATOM 345 C GLU A 22 -12.713 -22.003 -17.130 1.00 0.00 C ATOM 346 O GLU A 22 -12.869 -23.220 -17.239 1.00 0.00 O ATOM 347 CB GLU A 22 -13.246 -20.562 -19.105 1.00 0.00 C ATOM 348 CG GLU A 22 -12.860 -19.249 -19.765 1.00 0.00 C ATOM 349 CD GLU A 22 -12.281 -19.441 -21.153 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.289 -20.187 -21.284 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.822 -18.846 -22.108 1.00 0.00 O ATOM 0 H GLU A 22 -11.757 -22.502 -19.864 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.509 -20.388 -17.850 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.552 -21.270 -19.875 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.111 -20.396 -18.463 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.738 -18.606 -19.828 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.131 -18.733 -19.140 1.00 0.00 H new ATOM 358 N VAL A 23 -13.039 -21.327 -16.033 1.00 0.00 N ATOM 359 CA VAL A 23 -13.613 -21.991 -14.869 1.00 0.00 C ATOM 360 C VAL A 23 -15.036 -21.510 -14.608 1.00 0.00 C ATOM 361 O VAL A 23 -15.497 -20.541 -15.213 1.00 0.00 O ATOM 362 CB VAL A 23 -12.762 -21.749 -13.608 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.544 -22.660 -13.602 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.346 -20.288 -13.520 1.00 0.00 C ATOM 0 H VAL A 23 -12.915 -20.320 -15.926 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.628 -23.058 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.366 -21.985 -12.732 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.955 -22.474 -12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.868 -23.701 -13.615 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.935 -22.459 -14.483 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.745 -20.134 -12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.759 -20.023 -14.400 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.235 -19.659 -13.474 1.00 0.00 H new ATOM 374 N THR A 24 -15.730 -22.194 -13.703 1.00 0.00 N ATOM 375 CA THR A 24 -17.101 -21.837 -13.363 1.00 0.00 C ATOM 376 C THR A 24 -17.138 -20.780 -12.265 1.00 0.00 C ATOM 377 O THR A 24 -16.480 -20.919 -11.234 1.00 0.00 O ATOM 378 CB THR A 24 -17.903 -23.068 -12.900 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.778 -24.123 -13.861 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.372 -22.718 -12.713 1.00 0.00 C ATOM 0 H THR A 24 -15.364 -22.998 -13.193 1.00 0.00 H new ATOM 0 HA THR A 24 -17.556 -21.434 -14.268 1.00 0.00 H new ATOM 0 HB THR A 24 -17.500 -23.398 -11.943 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.289 -24.903 -13.559 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.918 -23.603 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.467 -21.935 -11.961 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.785 -22.365 -13.658 1.00 0.00 H new ATOM 388 N MET A 25 -17.911 -19.723 -12.494 1.00 0.00 N ATOM 389 CA MET A 25 -18.034 -18.643 -11.522 1.00 0.00 C ATOM 390 C MET A 25 -19.456 -18.563 -10.975 1.00 0.00 C ATOM 391 O MET A 25 -20.397 -19.069 -11.587 1.00 0.00 O ATOM 392 CB MET A 25 -17.645 -17.308 -12.160 1.00 0.00 C ATOM 393 CG MET A 25 -17.090 -16.299 -11.167 1.00 0.00 C ATOM 394 SD MET A 25 -16.287 -14.900 -11.974 1.00 0.00 S ATOM 395 CE MET A 25 -17.474 -14.526 -13.263 1.00 0.00 C ATOM 0 H MET A 25 -18.461 -19.592 -13.343 1.00 0.00 H new ATOM 0 HA MET A 25 -17.357 -18.853 -10.694 1.00 0.00 H new ATOM 0 HB2 MET A 25 -16.901 -17.489 -12.936 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.520 -16.880 -12.650 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.900 -15.933 -10.535 1.00 0.00 H new ATOM 0 HG3 MET A 25 -16.374 -16.796 -10.512 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.136 -13.658 -13.828 1.00 0.00 H new ATOM 0 HE2 MET A 25 -17.566 -15.381 -13.932 1.00 0.00 H new ATOM 0 HE3 MET A 25 -18.443 -14.311 -12.814 1.00 0.00 H new ATOM 405 N LYS A 26 -19.606 -17.925 -9.820 1.00 0.00 N ATOM 406 CA LYS A 26 -20.913 -17.777 -9.190 1.00 0.00 C ATOM 407 C LYS A 26 -21.111 -16.356 -8.675 1.00 0.00 C ATOM 408 O LYS A 26 -20.230 -15.790 -8.027 1.00 0.00 O ATOM 409 CB LYS A 26 -21.062 -18.774 -8.038 1.00 0.00 C ATOM 410 CG LYS A 26 -21.621 -20.120 -8.467 1.00 0.00 C ATOM 411 CD LYS A 26 -21.196 -21.228 -7.519 1.00 0.00 C ATOM 412 CE LYS A 26 -22.049 -21.243 -6.260 1.00 0.00 C ATOM 413 NZ LYS A 26 -23.457 -21.635 -6.549 1.00 0.00 N ATOM 0 H LYS A 26 -18.838 -17.501 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.676 -17.982 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.088 -18.926 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.715 -18.344 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.709 -20.068 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.279 -20.352 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -21.275 -22.191 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -20.149 -21.095 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -21.619 -21.938 -5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.034 -20.255 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -23.913 -21.961 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.975 -20.816 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.467 -22.403 -7.251 1.00 0.00 H new ATOM 427 N LYS A 27 -22.275 -15.783 -8.965 1.00 0.00 N ATOM 428 CA LYS A 27 -22.591 -14.428 -8.529 1.00 0.00 C ATOM 429 C LYS A 27 -22.355 -14.270 -7.031 1.00 0.00 C ATOM 430 O LYS A 27 -22.863 -15.050 -6.227 1.00 0.00 O ATOM 431 CB LYS A 27 -24.044 -14.088 -8.867 1.00 0.00 C ATOM 432 CG LYS A 27 -24.520 -12.780 -8.258 1.00 0.00 C ATOM 433 CD LYS A 27 -25.726 -12.227 -8.998 1.00 0.00 C ATOM 434 CE LYS A 27 -26.985 -13.020 -8.684 1.00 0.00 C ATOM 435 NZ LYS A 27 -28.220 -12.240 -8.976 1.00 0.00 N ATOM 0 H LYS A 27 -23.015 -16.237 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.931 -13.739 -9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.154 -14.036 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.688 -14.896 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.776 -12.937 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.711 -12.050 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.875 -11.183 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -25.538 -12.251 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.990 -13.940 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.979 -13.310 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.056 -12.815 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.228 -11.374 -8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.239 -11.985 -9.984 1.00 0.00 H new ATOM 449 N GLY A 28 -21.582 -13.253 -6.662 1.00 0.00 N ATOM 450 CA GLY A 28 -21.294 -13.010 -5.260 1.00 0.00 C ATOM 451 C GLY A 28 -19.988 -13.640 -4.819 1.00 0.00 C ATOM 452 O GLY A 28 -19.553 -13.453 -3.682 1.00 0.00 O ATOM 0 H GLY A 28 -21.150 -12.593 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.254 -11.935 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.108 -13.404 -4.651 1.00 0.00 H new ATOM 456 N ASP A 29 -19.361 -14.389 -5.719 1.00 0.00 N ATOM 457 CA ASP A 29 -18.096 -15.049 -5.417 1.00 0.00 C ATOM 458 C ASP A 29 -16.916 -14.196 -5.871 1.00 0.00 C ATOM 459 O ASP A 29 -16.862 -13.754 -7.019 1.00 0.00 O ATOM 460 CB ASP A 29 -18.039 -16.421 -6.090 1.00 0.00 C ATOM 461 CG ASP A 29 -17.043 -17.351 -5.426 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.274 -16.878 -4.563 1.00 0.00 O ATOM 463 OD2 ASP A 29 -17.034 -18.552 -5.768 1.00 0.00 O ATOM 0 H ASP A 29 -19.708 -14.554 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.032 -15.180 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.029 -16.876 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.772 -16.297 -7.139 1.00 0.00 H new ATOM 468 N ILE A 30 -15.974 -13.967 -4.962 1.00 0.00 N ATOM 469 CA ILE A 30 -14.795 -13.167 -5.269 1.00 0.00 C ATOM 470 C ILE A 30 -13.565 -14.050 -5.459 1.00 0.00 C ATOM 471 O ILE A 30 -13.287 -14.929 -4.643 1.00 0.00 O ATOM 472 CB ILE A 30 -14.508 -12.138 -4.160 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.777 -11.354 -3.821 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.394 -11.195 -4.588 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.599 -10.384 -2.674 1.00 0.00 C ATOM 0 H ILE A 30 -16.005 -14.324 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.006 -12.638 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.183 -12.670 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.102 -10.804 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.573 -12.056 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.203 -10.474 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.488 -11.768 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.692 -10.667 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.538 -9.863 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.304 -10.930 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.826 -9.659 -2.928 1.00 0.00 H new ATOM 487 N LEU A 31 -12.832 -13.809 -6.540 1.00 0.00 N ATOM 488 CA LEU A 31 -11.630 -14.580 -6.837 1.00 0.00 C ATOM 489 C LEU A 31 -10.399 -13.680 -6.868 1.00 0.00 C ATOM 490 O LEU A 31 -10.510 -12.455 -6.809 1.00 0.00 O ATOM 491 CB LEU A 31 -11.782 -15.302 -8.177 1.00 0.00 C ATOM 492 CG LEU A 31 -13.015 -16.194 -8.323 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.279 -16.955 -7.033 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.230 -15.365 -8.713 1.00 0.00 C ATOM 0 H LEU A 31 -13.049 -13.086 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.497 -15.318 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.804 -14.554 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.895 -15.914 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.824 -16.918 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.160 -17.585 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.417 -17.579 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.449 -16.247 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.098 -16.016 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.423 -14.618 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.040 -14.866 -9.663 1.00 0.00 H new ATOM 506 N THR A 32 -9.225 -14.295 -6.964 1.00 0.00 N ATOM 507 CA THR A 32 -7.972 -13.550 -7.004 1.00 0.00 C ATOM 508 C THR A 32 -7.582 -13.209 -8.437 1.00 0.00 C ATOM 509 O THR A 32 -7.494 -14.090 -9.294 1.00 0.00 O ATOM 510 CB THR A 32 -6.826 -14.342 -6.346 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.293 -14.976 -5.150 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.656 -13.427 -6.018 1.00 0.00 C ATOM 0 H THR A 32 -9.115 -15.308 -7.016 1.00 0.00 H new ATOM 0 HA THR A 32 -8.134 -12.628 -6.445 1.00 0.00 H new ATOM 0 HB THR A 32 -6.486 -15.102 -7.050 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.559 -15.479 -4.738 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.859 -14.008 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.285 -12.968 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.985 -12.648 -5.330 1.00 0.00 H new ATOM 520 N LEU A 33 -7.347 -11.927 -8.692 1.00 0.00 N ATOM 521 CA LEU A 33 -6.964 -11.469 -10.023 1.00 0.00 C ATOM 522 C LEU A 33 -5.563 -11.952 -10.383 1.00 0.00 C ATOM 523 O LEU A 33 -4.605 -11.717 -9.645 1.00 0.00 O ATOM 524 CB LEU A 33 -7.024 -9.942 -10.096 1.00 0.00 C ATOM 525 CG LEU A 33 -7.264 -9.345 -11.483 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.109 -9.680 -12.414 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.579 -9.846 -12.060 1.00 0.00 C ATOM 0 H LEU A 33 -7.415 -11.186 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.669 -11.889 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.817 -9.597 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.087 -9.543 -9.708 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.324 -8.261 -11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.297 -9.247 -13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.184 -9.271 -12.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.018 -10.762 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.733 -9.410 -13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.549 -10.932 -12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.399 -9.555 -11.403 1.00 0.00 H new ATOM 539 N LEU A 34 -5.449 -12.626 -11.522 1.00 0.00 N ATOM 540 CA LEU A 34 -4.164 -13.140 -11.982 1.00 0.00 C ATOM 541 C LEU A 34 -3.748 -12.476 -13.290 1.00 0.00 C ATOM 542 O LEU A 34 -2.628 -11.984 -13.419 1.00 0.00 O ATOM 543 CB LEU A 34 -4.236 -14.657 -12.167 1.00 0.00 C ATOM 544 CG LEU A 34 -3.724 -15.501 -11.000 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.464 -15.146 -9.719 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.871 -16.984 -11.309 1.00 0.00 C ATOM 0 H LEU A 34 -6.231 -12.829 -12.144 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.416 -12.907 -11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.273 -14.930 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.666 -14.922 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.666 -15.283 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.086 -15.757 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.307 -14.092 -9.488 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.530 -15.334 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.501 -17.569 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.922 -17.218 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.295 -17.229 -12.202 1.00 0.00 H new ATOM 558 N ASN A 35 -4.659 -12.464 -14.258 1.00 0.00 N ATOM 559 CA ASN A 35 -4.388 -11.858 -15.556 1.00 0.00 C ATOM 560 C ASN A 35 -5.450 -10.819 -15.905 1.00 0.00 C ATOM 561 O ASN A 35 -6.639 -11.130 -15.969 1.00 0.00 O ATOM 562 CB ASN A 35 -4.334 -12.933 -16.643 1.00 0.00 C ATOM 563 CG ASN A 35 -3.526 -12.496 -17.850 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.117 -11.646 -18.681 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.383 -12.918 -18.031 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.592 -12.867 -14.168 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.421 -11.358 -15.500 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.900 -13.843 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.348 -13.179 -16.958 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.969 -13.571 -17.365 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.851 -12.615 -18.847 1.00 0.00 H new ATOM 572 N SER A 36 -5.011 -9.585 -16.129 1.00 0.00 N ATOM 573 CA SER A 36 -5.924 -8.499 -16.468 1.00 0.00 C ATOM 574 C SER A 36 -5.451 -7.762 -17.718 1.00 0.00 C ATOM 575 O SER A 36 -5.699 -6.567 -17.879 1.00 0.00 O ATOM 576 CB SER A 36 -6.042 -7.520 -15.299 1.00 0.00 C ATOM 577 OG SER A 36 -4.801 -7.370 -14.632 1.00 0.00 O ATOM 0 H SER A 36 -4.029 -9.312 -16.082 1.00 0.00 H new ATOM 0 HA SER A 36 -6.904 -8.931 -16.671 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.381 -6.551 -15.665 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.795 -7.877 -14.596 1.00 0.00 H new ATOM 0 HG SER A 36 -4.903 -6.738 -13.890 1.00 0.00 H new ATOM 583 N THR A 37 -4.768 -8.484 -18.600 1.00 0.00 N ATOM 584 CA THR A 37 -4.258 -7.901 -19.835 1.00 0.00 C ATOM 585 C THR A 37 -5.225 -8.129 -20.991 1.00 0.00 C ATOM 586 O THR A 37 -4.818 -8.183 -22.151 1.00 0.00 O ATOM 587 CB THR A 37 -2.883 -8.486 -20.207 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.100 -8.688 -19.025 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.141 -7.561 -21.160 1.00 0.00 C ATOM 0 H THR A 37 -4.555 -9.474 -18.482 1.00 0.00 H new ATOM 0 HA THR A 37 -4.153 -6.830 -19.659 1.00 0.00 H new ATOM 0 HB THR A 37 -3.043 -9.443 -20.705 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.228 -9.062 -19.270 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.173 -7.995 -21.408 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.725 -7.432 -22.071 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.993 -6.592 -20.684 1.00 0.00 H new ATOM 597 N ASN A 38 -6.507 -8.262 -20.667 1.00 0.00 N ATOM 598 CA ASN A 38 -7.532 -8.485 -21.680 1.00 0.00 C ATOM 599 C ASN A 38 -8.905 -8.061 -21.167 1.00 0.00 C ATOM 600 O ASN A 38 -9.564 -8.803 -20.438 1.00 0.00 O ATOM 601 CB ASN A 38 -7.562 -9.959 -22.090 1.00 0.00 C ATOM 602 CG ASN A 38 -7.483 -10.142 -23.593 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.617 -10.856 -24.098 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.391 -9.496 -24.316 1.00 0.00 N ATOM 0 H ASN A 38 -6.861 -8.219 -19.711 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.285 -7.877 -22.551 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.730 -10.482 -21.619 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.478 -10.418 -21.718 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.388 -9.581 -25.332 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.091 -8.915 -23.855 1.00 0.00 H new ATOM 611 N LYS A 39 -9.331 -6.863 -21.553 1.00 0.00 N ATOM 612 CA LYS A 39 -10.626 -6.339 -21.135 1.00 0.00 C ATOM 613 C LYS A 39 -11.736 -7.349 -21.410 1.00 0.00 C ATOM 614 O LYS A 39 -12.754 -7.370 -20.718 1.00 0.00 O ATOM 615 CB LYS A 39 -10.925 -5.025 -21.860 1.00 0.00 C ATOM 616 CG LYS A 39 -10.871 -5.140 -23.373 1.00 0.00 C ATOM 617 CD LYS A 39 -10.722 -3.778 -24.030 1.00 0.00 C ATOM 618 CE LYS A 39 -12.008 -2.972 -23.941 1.00 0.00 C ATOM 619 NZ LYS A 39 -13.094 -3.566 -24.769 1.00 0.00 N ATOM 0 H LYS A 39 -8.798 -6.236 -22.155 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.586 -6.153 -20.062 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.914 -4.674 -21.566 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.209 -4.270 -21.536 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.035 -5.777 -23.661 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.779 -5.622 -23.735 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.913 -3.228 -23.550 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.443 -3.906 -25.076 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.332 -2.919 -22.902 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.819 -1.950 -24.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.851 -2.866 -24.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.712 -3.844 -25.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.479 -4.404 -24.288 1.00 0.00 H new ATOM 633 N ASP A 40 -11.531 -8.184 -22.423 1.00 0.00 N ATOM 634 CA ASP A 40 -12.514 -9.198 -22.787 1.00 0.00 C ATOM 635 C ASP A 40 -12.651 -10.243 -21.685 1.00 0.00 C ATOM 636 O ASP A 40 -13.689 -10.334 -21.028 1.00 0.00 O ATOM 637 CB ASP A 40 -12.118 -9.874 -24.101 1.00 0.00 C ATOM 638 CG ASP A 40 -12.108 -8.908 -25.269 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.938 -7.975 -25.274 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.272 -9.085 -26.180 1.00 0.00 O ATOM 0 H ASP A 40 -10.694 -8.179 -23.006 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.477 -8.705 -22.917 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.129 -10.320 -23.993 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.813 -10.687 -24.312 1.00 0.00 H new ATOM 645 N TRP A 41 -11.600 -11.030 -21.488 1.00 0.00 N ATOM 646 CA TRP A 41 -11.604 -12.070 -20.465 1.00 0.00 C ATOM 647 C TRP A 41 -10.486 -11.842 -19.454 1.00 0.00 C ATOM 648 O TRP A 41 -9.422 -11.326 -19.796 1.00 0.00 O ATOM 649 CB TRP A 41 -11.452 -13.448 -21.110 1.00 0.00 C ATOM 650 CG TRP A 41 -12.427 -13.695 -22.221 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.366 -13.195 -23.491 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.609 -14.500 -22.162 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.439 -13.641 -24.224 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.216 -14.444 -23.432 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.213 -15.265 -21.160 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.397 -15.123 -23.723 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.385 -15.937 -21.450 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.966 -15.864 -22.723 1.00 0.00 C ATOM 0 H TRP A 41 -10.734 -10.968 -22.023 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.558 -12.026 -19.940 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.438 -13.550 -21.497 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.581 -14.215 -20.346 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.589 -12.545 -23.864 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.627 -13.411 -25.200 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.771 -15.330 -20.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.848 -15.067 -24.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.861 -16.529 -20.682 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.881 -16.403 -22.919 1.00 0.00 H new ATOM 669 N TRP A 42 -10.733 -12.231 -18.208 1.00 0.00 N ATOM 670 CA TRP A 42 -9.746 -12.069 -17.147 1.00 0.00 C ATOM 671 C TRP A 42 -9.463 -13.400 -16.459 1.00 0.00 C ATOM 672 O TRP A 42 -10.361 -14.224 -16.284 1.00 0.00 O ATOM 673 CB TRP A 42 -10.233 -11.045 -16.121 1.00 0.00 C ATOM 674 CG TRP A 42 -10.104 -9.627 -16.589 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.305 -9.166 -17.597 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.793 -8.486 -16.067 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.456 -7.807 -17.732 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.364 -7.366 -16.806 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.732 -8.301 -15.049 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.842 -6.082 -16.557 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.204 -7.026 -14.802 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.760 -5.930 -15.554 1.00 0.00 C ATOM 0 H TRP A 42 -11.608 -12.661 -17.908 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.821 -11.710 -17.598 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.277 -11.248 -15.883 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.666 -11.168 -15.198 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.651 -9.779 -18.199 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.971 -7.221 -18.412 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.083 -9.140 -14.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.500 -5.236 -17.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.928 -6.871 -14.016 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.150 -4.946 -15.338 1.00 0.00 H new ATOM 693 N LYS A 43 -8.209 -13.605 -16.071 1.00 0.00 N ATOM 694 CA LYS A 43 -7.807 -14.836 -15.401 1.00 0.00 C ATOM 695 C LYS A 43 -7.861 -14.674 -13.885 1.00 0.00 C ATOM 696 O LYS A 43 -7.102 -13.897 -13.306 1.00 0.00 O ATOM 697 CB LYS A 43 -6.393 -15.237 -15.831 1.00 0.00 C ATOM 698 CG LYS A 43 -6.095 -16.714 -15.639 1.00 0.00 C ATOM 699 CD LYS A 43 -4.616 -16.956 -15.388 1.00 0.00 C ATOM 700 CE LYS A 43 -3.873 -17.255 -16.681 1.00 0.00 C ATOM 701 NZ LYS A 43 -3.568 -16.013 -17.445 1.00 0.00 N ATOM 0 H LYS A 43 -7.453 -12.934 -16.209 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.505 -15.621 -15.690 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.255 -14.981 -16.881 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.670 -14.652 -15.263 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.675 -17.097 -14.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.410 -17.268 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.179 -16.079 -14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.495 -17.790 -14.696 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.945 -17.779 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.473 -17.923 -17.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.933 -16.240 -18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.451 -15.607 -17.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.106 -15.324 -16.817 1.00 0.00 H new ATOM 715 N VAL A 44 -8.764 -15.413 -13.248 1.00 0.00 N ATOM 716 CA VAL A 44 -8.915 -15.353 -11.799 1.00 0.00 C ATOM 717 C VAL A 44 -8.517 -16.673 -11.149 1.00 0.00 C ATOM 718 O VAL A 44 -8.363 -17.688 -11.827 1.00 0.00 O ATOM 719 CB VAL A 44 -10.364 -15.013 -11.400 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.809 -13.716 -12.058 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.299 -16.155 -11.768 1.00 0.00 C ATOM 0 H VAL A 44 -9.402 -16.060 -13.712 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.253 -14.563 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.402 -14.876 -10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.835 -13.492 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.155 -12.904 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.756 -13.821 -13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.318 -15.898 -11.479 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.259 -16.326 -12.844 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.991 -17.060 -11.245 1.00 0.00 H new ATOM 731 N GLU A 45 -8.352 -16.651 -9.830 1.00 0.00 N ATOM 732 CA GLU A 45 -7.971 -17.847 -9.088 1.00 0.00 C ATOM 733 C GLU A 45 -8.988 -18.155 -7.992 1.00 0.00 C ATOM 734 O GLU A 45 -9.390 -17.269 -7.237 1.00 0.00 O ATOM 735 CB GLU A 45 -6.580 -17.673 -8.475 1.00 0.00 C ATOM 736 CG GLU A 45 -5.958 -18.974 -7.998 1.00 0.00 C ATOM 737 CD GLU A 45 -4.912 -18.760 -6.921 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.226 -18.089 -5.915 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.781 -19.264 -7.083 1.00 0.00 O ATOM 0 H GLU A 45 -8.476 -15.819 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.950 -18.684 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.922 -17.215 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.646 -16.982 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.741 -19.627 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.502 -19.487 -8.845 1.00 0.00 H new ATOM 746 N VAL A 46 -9.400 -19.416 -7.912 1.00 0.00 N ATOM 747 CA VAL A 46 -10.369 -19.841 -6.909 1.00 0.00 C ATOM 748 C VAL A 46 -9.747 -20.831 -5.930 1.00 0.00 C ATOM 749 O VAL A 46 -8.584 -21.210 -6.068 1.00 0.00 O ATOM 750 CB VAL A 46 -11.605 -20.489 -7.562 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.227 -19.546 -8.580 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.232 -21.814 -8.209 1.00 0.00 C ATOM 0 H VAL A 46 -9.078 -20.161 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.680 -18.947 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.344 -20.685 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.099 -20.021 -9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.532 -18.625 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.497 -19.316 -9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.117 -22.258 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.475 -21.645 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.837 -22.490 -7.451 1.00 0.00 H new ATOM 940 N GLN A 58 -6.267 -21.867 -10.771 1.00 0.00 N ATOM 941 CA GLN A 58 -6.474 -20.714 -11.640 1.00 0.00 C ATOM 942 C GLN A 58 -7.422 -21.057 -12.783 1.00 0.00 C ATOM 943 O GLN A 58 -7.572 -22.221 -13.151 1.00 0.00 O ATOM 944 CB GLN A 58 -5.137 -20.224 -12.199 1.00 0.00 C ATOM 945 CG GLN A 58 -4.454 -21.230 -13.112 1.00 0.00 C ATOM 946 CD GLN A 58 -2.961 -20.993 -13.228 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.162 -21.922 -13.106 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.576 -19.745 -13.465 1.00 0.00 N ATOM 0 HA GLN A 58 -6.924 -19.919 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.301 -19.298 -12.750 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.471 -19.988 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.630 -22.237 -12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.904 -21.179 -14.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.272 -19.006 -13.559 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.584 -19.525 -13.553 1.00 0.00 H new ATOM 957 N GLY A 59 -8.062 -20.034 -13.342 1.00 0.00 N ATOM 958 CA GLY A 59 -8.989 -20.248 -14.438 1.00 0.00 C ATOM 959 C GLY A 59 -9.432 -18.951 -15.085 1.00 0.00 C ATOM 960 O GLY A 59 -9.552 -17.924 -14.416 1.00 0.00 O ATOM 0 H GLY A 59 -7.955 -19.061 -13.055 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.518 -20.883 -15.189 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.864 -20.784 -14.070 1.00 0.00 H new ATOM 964 N PHE A 60 -9.674 -18.995 -16.391 1.00 0.00 N ATOM 965 CA PHE A 60 -10.103 -17.814 -17.130 1.00 0.00 C ATOM 966 C PHE A 60 -11.608 -17.605 -16.995 1.00 0.00 C ATOM 967 O PHE A 60 -12.362 -18.555 -16.785 1.00 0.00 O ATOM 968 CB PHE A 60 -9.725 -17.944 -18.607 1.00 0.00 C ATOM 969 CG PHE A 60 -8.378 -17.366 -18.934 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.214 -15.998 -19.084 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.275 -18.190 -19.093 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.976 -15.462 -19.385 1.00 0.00 C ATOM 973 CE2 PHE A 60 -6.035 -17.660 -19.393 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.885 -16.295 -19.541 1.00 0.00 C ATOM 0 H PHE A 60 -9.580 -19.837 -16.959 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.594 -16.948 -16.707 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.737 -18.998 -18.885 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.482 -17.446 -19.213 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.064 -15.343 -18.964 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.386 -19.258 -18.981 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.862 -14.394 -19.498 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.183 -18.313 -19.512 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.917 -15.880 -19.778 1.00 0.00 H new ATOM 984 N VAL A 61 -12.040 -16.353 -17.118 1.00 0.00 N ATOM 985 CA VAL A 61 -13.455 -16.018 -17.011 1.00 0.00 C ATOM 986 C VAL A 61 -13.771 -14.725 -17.753 1.00 0.00 C ATOM 987 O VAL A 61 -12.901 -13.884 -17.985 1.00 0.00 O ATOM 988 CB VAL A 61 -13.887 -15.872 -15.540 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.129 -17.238 -14.916 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.842 -15.095 -14.753 1.00 0.00 C ATOM 0 H VAL A 61 -11.430 -15.554 -17.292 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.010 -16.839 -17.465 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.823 -15.314 -15.508 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.433 -17.114 -13.877 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.916 -17.755 -15.466 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.211 -17.825 -14.958 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.163 -15.001 -13.716 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.890 -15.624 -14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.723 -14.102 -15.187 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.046 -14.559 -18.136 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.507 -13.369 -18.857 1.00 0.00 C ATOM 1002 C PRO A 62 -15.505 -12.122 -17.980 1.00 0.00 C ATOM 1003 O PRO A 62 -16.125 -12.099 -16.917 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.936 -13.734 -19.265 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.370 -14.746 -18.262 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.135 -15.520 -17.893 1.00 0.00 C ATOM 0 HA PRO A 62 -14.858 -13.125 -19.698 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.587 -12.860 -19.252 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.967 -14.140 -20.276 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.805 -14.265 -17.386 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.133 -15.404 -18.677 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.160 -15.845 -16.853 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.024 -16.416 -18.504 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.805 -11.087 -18.432 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.726 -9.836 -17.689 1.00 0.00 C ATOM 1016 C ALA A 63 -16.098 -9.182 -17.565 1.00 0.00 C ATOM 1017 O ALA A 63 -16.298 -8.289 -16.743 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.745 -8.885 -18.359 1.00 0.00 C ATOM 0 H ALA A 63 -14.285 -11.090 -19.309 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.368 -10.062 -16.684 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.696 -7.955 -17.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.757 -9.344 -18.389 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.079 -8.675 -19.375 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.040 -9.634 -18.387 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.393 -9.094 -18.368 1.00 0.00 C ATOM 1026 C ALA A 64 -19.195 -9.663 -17.202 1.00 0.00 C ATOM 1027 O ALA A 64 -20.334 -9.260 -16.964 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.096 -9.384 -19.685 1.00 0.00 C ATOM 0 H ALA A 64 -16.890 -10.373 -19.074 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.324 -8.014 -18.236 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.106 -8.975 -19.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.541 -8.924 -20.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.146 -10.462 -19.841 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.594 -10.601 -16.479 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.253 -11.227 -15.339 1.00 0.00 C ATOM 1036 C TYR A 65 -18.434 -11.041 -14.066 1.00 0.00 C ATOM 1037 O TYR A 65 -18.537 -11.831 -13.126 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.471 -12.718 -15.605 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.505 -12.997 -16.673 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.290 -12.618 -17.992 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.697 -13.640 -16.363 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.231 -12.871 -18.971 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.644 -13.898 -17.335 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.406 -13.511 -18.637 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.347 -13.765 -19.609 1.00 0.00 O ATOM 0 H TYR A 65 -17.651 -10.945 -16.662 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.220 -10.744 -15.201 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.524 -13.168 -15.902 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.778 -13.203 -14.678 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.371 -12.117 -18.257 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.887 -13.943 -15.344 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -21.048 -12.569 -19.992 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.565 -14.400 -17.077 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.115 -14.223 -19.209 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.621 -9.990 -14.041 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.785 -9.697 -12.883 1.00 0.00 C ATOM 1057 C VAL A 66 -16.677 -8.195 -12.649 1.00 0.00 C ATOM 1058 O VAL A 66 -17.043 -7.393 -13.509 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.370 -10.283 -13.050 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.439 -11.779 -13.315 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.627 -9.569 -14.169 1.00 0.00 C ATOM 0 H VAL A 66 -17.523 -9.327 -14.810 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.264 -10.162 -12.021 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.820 -10.128 -12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.430 -12.175 -13.430 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.930 -12.275 -12.477 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.007 -11.961 -14.228 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.629 -9.995 -14.273 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.173 -9.691 -15.104 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.545 -8.508 -13.932 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.171 -7.818 -11.480 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.011 -6.411 -11.132 1.00 0.00 C ATOM 1073 C LYS A 67 -15.034 -6.245 -9.973 1.00 0.00 C ATOM 1074 O LYS A 67 -15.273 -6.735 -8.869 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.365 -5.800 -10.763 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.293 -4.320 -10.430 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.398 -3.461 -11.679 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.848 -3.168 -12.034 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.971 -1.989 -12.935 1.00 0.00 N ATOM 0 H LYS A 67 -15.864 -8.468 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.608 -5.890 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.057 -5.944 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.776 -6.337 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.097 -4.062 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.354 -4.107 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.864 -2.524 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.914 -3.969 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.287 -4.041 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.416 -2.988 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.974 -1.822 -13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.575 -1.150 -12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.450 -2.170 -13.817 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.931 -5.549 -10.230 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.918 -5.315 -9.208 1.00 0.00 C ATOM 1095 C LYS A 68 -13.492 -4.510 -8.047 1.00 0.00 C ATOM 1096 O LYS A 68 -14.109 -3.464 -8.249 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.718 -4.579 -9.809 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.456 -4.686 -8.971 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.256 -4.099 -9.694 1.00 0.00 C ATOM 1100 CE LYS A 68 -9.166 -2.594 -9.494 1.00 0.00 C ATOM 1101 NZ LYS A 68 -10.065 -1.856 -10.424 1.00 0.00 N ATOM 0 H LYS A 68 -13.716 -5.137 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.590 -6.283 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.519 -4.978 -10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.973 -3.527 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.602 -4.166 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.263 -5.732 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.344 -4.571 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.326 -4.322 -10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.427 -2.348 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.137 -2.268 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.608 -0.970 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.255 -2.443 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.961 -1.640 -9.942 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.284 -5.004 -6.831 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.780 -4.329 -5.636 1.00 0.00 C ATOM 1117 C LEU A 69 -12.683 -3.490 -4.990 1.00 0.00 C ATOM 1118 O LEU A 69 -12.934 -2.384 -4.511 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.313 -5.353 -4.633 1.00 0.00 C ATOM 1120 CG LEU A 69 -13.432 -6.580 -4.394 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -13.534 -7.037 -2.947 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -13.821 -7.708 -5.339 1.00 0.00 C ATOM 0 H LEU A 69 -12.776 -5.869 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.591 -3.665 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.468 -4.850 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.290 -5.693 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.397 -6.304 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.900 -7.911 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.207 -6.233 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.568 -7.295 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.184 -8.573 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.862 -7.982 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.696 -7.378 -6.370 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.465 -4.022 -4.982 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.328 -3.321 -4.398 1.00 0.00 C ATOM 1136 C ASP A 70 -9.808 -2.244 -5.345 1.00 0.00 C ATOM 1137 O ASP A 70 -9.577 -1.105 -4.939 1.00 0.00 O ATOM 1138 CB ASP A 70 -9.209 -4.309 -4.065 1.00 0.00 C ATOM 1139 CG ASP A 70 -8.096 -3.672 -3.256 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -8.184 -3.689 -2.011 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -7.138 -3.156 -3.868 1.00 0.00 O ATOM 0 H ASP A 70 -11.240 -4.937 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.663 -2.840 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.624 -5.149 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.797 -4.712 -4.990 1.00 0.00 H new