USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 24 THR OG1 : rot -77:sc= 1.24 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.84 K(o=2.1,f=-2.6!) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.903 USER MOD Set 2.2: A 50 SER OG : rot 51:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0.306 (180deg=0.29) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00821 X(o=-0.0082,f=-0.47) USER MOD Single : A 30 MET CE :methyl -132:sc= 0 (180deg=-0.00326) USER MOD Single : A 47 GLN : amide:sc= 0.964 K(o=0.96,f=-0.23) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 1.13 (180deg=1.11) USER MOD Single : A 63 MET CE :methyl 146:sc= -1.29 (180deg=-4.27) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.383 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.349 K(o=0.35,f=-5!) USER MOD Single : A 76 CYS SG : rot -57:sc= 0.292 USER MOD Single : A 80 HIS : no HE2:sc= 0.954 K(o=0.95,f=-3!) USER MOD Single : A 81 THR OG1 : rot -134:sc= 0.499 USER MOD Single : A 82 HIS : no HE2:sc= -0.641 K(o=-0.64,f=-2.7!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 91 SER OG : rot -32:sc= 1.22 USER MOD Single : A 96 GLN : amide:sc= -0.662 K(o=-0.66,f=-4.3!) USER MOD Single : A 97 SER OG : rot 180:sc= -0.447 USER MOD Single : A 103 CYS SG : rot 113:sc= 1.25 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.516 -12.879 -3.386 1.00 0.00 N ATOM 86 CA PHE A 9 8.095 -12.604 -3.540 1.00 0.00 C ATOM 87 C PHE A 9 7.278 -13.375 -2.508 1.00 0.00 C ATOM 88 O PHE A 9 7.715 -14.398 -1.970 1.00 0.00 O ATOM 89 CB PHE A 9 7.657 -12.957 -4.959 1.00 0.00 C ATOM 90 CG PHE A 9 6.165 -12.916 -5.211 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.527 -11.719 -5.591 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.402 -14.081 -5.011 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.130 -11.692 -5.757 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.040 -14.076 -5.322 1.00 0.00 C ATOM 95 CZ PHE A 9 3.394 -12.883 -5.627 1.00 0.00 C ATOM 0 HA PHE A 9 7.919 -11.542 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.144 -12.271 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.020 -13.958 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.109 -10.824 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.866 -14.974 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.627 -10.763 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.486 -15.003 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.323 -12.871 -5.765 1.00 0.00 H new ATOM 105 N THR A 10 6.063 -12.885 -2.283 1.00 0.00 N ATOM 106 CA THR A 10 5.093 -13.435 -1.368 1.00 0.00 C ATOM 107 C THR A 10 4.379 -14.650 -1.963 1.00 0.00 C ATOM 108 O THR A 10 5.019 -15.688 -2.121 1.00 0.00 O ATOM 109 CB THR A 10 4.184 -12.283 -0.889 1.00 0.00 C ATOM 110 OG1 THR A 10 4.969 -11.145 -0.601 1.00 0.00 O ATOM 111 CG2 THR A 10 3.423 -12.668 0.381 1.00 0.00 C ATOM 0 H THR A 10 5.720 -12.052 -2.762 1.00 0.00 H new ATOM 0 HA THR A 10 5.570 -13.850 -0.480 1.00 0.00 H new ATOM 0 HB THR A 10 3.471 -12.071 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.389 -10.415 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.792 -11.836 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.801 -13.541 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.133 -12.902 1.174 1.00 0.00 H new ATOM 119 N ARG A 11 3.074 -14.525 -2.247 1.00 0.00 N ATOM 120 CA ARG A 11 2.107 -15.472 -2.815 1.00 0.00 C ATOM 121 C ARG A 11 0.715 -15.255 -2.260 1.00 0.00 C ATOM 122 O ARG A 11 -0.204 -15.042 -3.038 1.00 0.00 O ATOM 123 CB ARG A 11 2.500 -16.945 -2.647 1.00 0.00 C ATOM 124 CG ARG A 11 3.316 -17.428 -3.844 1.00 0.00 C ATOM 125 CD ARG A 11 4.152 -18.642 -3.427 1.00 0.00 C ATOM 126 NE ARG A 11 4.401 -19.514 -4.578 1.00 0.00 N ATOM 127 CZ ARG A 11 5.561 -20.041 -4.977 1.00 0.00 C ATOM 128 NH1 ARG A 11 6.666 -19.896 -4.244 1.00 0.00 N ATOM 129 NH2 ARG A 11 5.580 -20.704 -6.127 1.00 0.00 N ATOM 0 H ARG A 11 2.612 -13.636 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 11 2.112 -15.259 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.079 -17.070 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.603 -17.556 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.653 -17.693 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.966 -16.630 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.100 -18.310 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.632 -19.199 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 11 3.586 -19.748 -5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.631 -19.377 -3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.545 -20.304 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.725 -20.798 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.449 -21.119 -6.462 1.00 0.00 H new ATOM 143 N ASP A 12 0.553 -15.337 -0.942 1.00 0.00 N ATOM 144 CA ASP A 12 -0.769 -15.439 -0.307 1.00 0.00 C ATOM 145 C ASP A 12 -0.821 -14.651 1.002 1.00 0.00 C ATOM 146 O ASP A 12 -1.548 -15.007 1.923 1.00 0.00 O ATOM 147 CB ASP A 12 -1.036 -16.920 -0.032 1.00 0.00 C ATOM 148 CG ASP A 12 -2.481 -17.218 0.354 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.390 -16.858 -0.424 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.702 -17.982 1.325 1.00 0.00 O ATOM 0 H ASP A 12 1.329 -15.335 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.526 -15.019 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.779 -17.498 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.378 -17.257 0.769 1.00 0.00 H new ATOM 155 N ALA A 13 0.092 -13.686 1.168 1.00 0.00 N ATOM 156 CA ALA A 13 0.464 -13.017 2.416 1.00 0.00 C ATOM 157 C ALA A 13 1.046 -13.959 3.486 1.00 0.00 C ATOM 158 O ALA A 13 1.736 -13.518 4.403 1.00 0.00 O ATOM 159 CB ALA A 13 -0.707 -12.204 2.961 1.00 0.00 C ATOM 0 H ALA A 13 0.627 -13.329 0.376 1.00 0.00 H new ATOM 0 HA ALA A 13 1.279 -12.338 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.410 -11.715 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.998 -11.450 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.551 -12.866 3.154 1.00 0.00 H new ATOM 165 N SER A 14 0.833 -15.263 3.340 1.00 0.00 N ATOM 166 CA SER A 14 1.255 -16.340 4.217 1.00 0.00 C ATOM 167 C SER A 14 2.777 -16.408 4.368 1.00 0.00 C ATOM 168 O SER A 14 3.268 -16.933 5.366 1.00 0.00 O ATOM 169 CB SER A 14 0.683 -17.627 3.618 1.00 0.00 C ATOM 170 OG SER A 14 0.301 -18.584 4.575 1.00 0.00 O ATOM 0 H SER A 14 0.317 -15.619 2.536 1.00 0.00 H new ATOM 0 HA SER A 14 0.883 -16.178 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.182 -17.376 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.427 -18.069 2.955 1.00 0.00 H new ATOM 0 HG SER A 14 -0.056 -19.376 4.121 1.00 0.00 H new ATOM 176 N GLN A 15 3.528 -15.876 3.397 1.00 0.00 N ATOM 177 CA GLN A 15 4.986 -15.808 3.425 1.00 0.00 C ATOM 178 C GLN A 15 5.502 -14.635 4.267 1.00 0.00 C ATOM 179 O GLN A 15 6.688 -14.622 4.598 1.00 0.00 O ATOM 180 CB GLN A 15 5.519 -15.673 1.989 1.00 0.00 C ATOM 181 CG GLN A 15 5.246 -16.917 1.122 1.00 0.00 C ATOM 182 CD GLN A 15 6.489 -17.656 0.616 1.00 0.00 C ATOM 183 OE1 GLN A 15 7.620 -17.179 0.635 1.00 0.00 O ATOM 184 NE2 GLN A 15 6.319 -18.873 0.141 1.00 0.00 N ATOM 0 H GLN A 15 3.125 -15.472 2.551 1.00 0.00 H new ATOM 0 HA GLN A 15 5.346 -16.728 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.062 -14.803 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.593 -15.490 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.640 -17.615 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.650 -16.614 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.386 -19.286 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.120 -19.403 -0.203 1.00 0.00 H new ATOM 193 N LEU A 16 4.664 -13.644 4.597 1.00 0.00 N ATOM 194 CA LEU A 16 5.105 -12.489 5.372 1.00 0.00 C ATOM 195 C LEU A 16 5.228 -12.889 6.840 1.00 0.00 C ATOM 196 O LEU A 16 4.546 -13.805 7.306 1.00 0.00 O ATOM 197 CB LEU A 16 4.148 -11.291 5.217 1.00 0.00 C ATOM 198 CG LEU A 16 3.903 -10.802 3.773 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.199 -9.442 3.785 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.187 -10.677 2.946 1.00 0.00 C ATOM 0 H LEU A 16 3.678 -13.624 4.337 1.00 0.00 H new ATOM 0 HA LEU A 16 6.076 -12.171 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.187 -11.560 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.543 -10.458 5.799 1.00 0.00 H new ATOM 0 HG LEU A 16 3.278 -11.562 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.033 -9.109 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.241 -9.533 4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.822 -8.715 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.941 -10.329 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.859 -9.964 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.675 -11.649 2.883 1.00 0.00 H new ATOM 212 N LYS A 17 6.080 -12.189 7.587 1.00 0.00 N ATOM 213 CA LYS A 17 6.295 -12.361 9.007 1.00 0.00 C ATOM 214 C LYS A 17 6.192 -10.971 9.603 1.00 0.00 C ATOM 215 O LYS A 17 7.125 -10.173 9.476 1.00 0.00 O ATOM 216 CB LYS A 17 7.676 -12.980 9.216 1.00 0.00 C ATOM 217 CG LYS A 17 7.744 -14.492 8.939 1.00 0.00 C ATOM 218 CD LYS A 17 7.126 -15.298 10.089 1.00 0.00 C ATOM 219 CE LYS A 17 6.951 -16.776 9.726 1.00 0.00 C ATOM 220 NZ LYS A 17 6.406 -17.569 10.851 1.00 0.00 N ATOM 0 H LYS A 17 6.664 -11.452 7.191 1.00 0.00 H new ATOM 0 HA LYS A 17 5.572 -13.024 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.390 -12.472 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.991 -12.797 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.219 -14.718 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.783 -14.792 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.760 -15.214 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.157 -14.872 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.284 -16.861 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.913 -17.190 9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.305 -18.562 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.054 -17.511 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.476 -17.192 11.123 1.00 0.00 H new ATOM 234 N GLY A 18 5.035 -10.668 10.166 1.00 0.00 N ATOM 235 CA GLY A 18 4.588 -9.340 10.558 1.00 0.00 C ATOM 236 C GLY A 18 3.117 -9.380 10.960 1.00 0.00 C ATOM 237 O GLY A 18 2.479 -10.431 10.868 1.00 0.00 O ATOM 0 H GLY A 18 4.340 -11.385 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.191 -8.976 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.729 -8.642 9.733 1.00 0.00 H new ATOM 241 N THR A 19 2.568 -8.256 11.424 1.00 0.00 N ATOM 242 CA THR A 19 1.223 -8.224 11.990 1.00 0.00 C ATOM 243 C THR A 19 0.249 -7.732 10.934 1.00 0.00 C ATOM 244 O THR A 19 0.511 -6.738 10.265 1.00 0.00 O ATOM 245 CB THR A 19 1.217 -7.337 13.238 1.00 0.00 C ATOM 246 OG1 THR A 19 2.215 -7.803 14.127 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.120 -7.331 13.980 1.00 0.00 C ATOM 0 H THR A 19 3.040 -7.352 11.417 1.00 0.00 H new ATOM 0 HA THR A 19 0.910 -9.223 12.294 1.00 0.00 H new ATOM 0 HB THR A 19 1.403 -6.317 12.902 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.224 -7.243 14.931 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.049 -6.682 14.852 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.903 -6.963 13.317 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.363 -8.344 14.301 1.00 0.00 H new ATOM 255 N PHE A 20 -0.880 -8.416 10.794 1.00 0.00 N ATOM 256 CA PHE A 20 -1.890 -8.135 9.789 1.00 0.00 C ATOM 257 C PHE A 20 -3.039 -7.372 10.408 1.00 0.00 C ATOM 258 O PHE A 20 -3.422 -7.632 11.555 1.00 0.00 O ATOM 259 CB PHE A 20 -2.392 -9.454 9.208 1.00 0.00 C ATOM 260 CG PHE A 20 -1.531 -9.933 8.067 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.257 -10.483 8.302 1.00 0.00 C ATOM 262 CD2 PHE A 20 -1.995 -9.769 6.753 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.540 -10.891 7.219 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.193 -10.160 5.677 1.00 0.00 C ATOM 265 CZ PHE A 20 0.078 -10.710 5.904 1.00 0.00 C ATOM 0 H PHE A 20 -1.122 -9.204 11.395 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.457 -7.526 8.995 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.410 -10.212 9.991 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.418 -9.330 8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.107 -10.591 9.313 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.970 -9.341 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.505 -11.342 7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.553 -10.038 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.701 -10.994 5.069 1.00 0.00 H new ATOM 275 N LEU A 21 -3.583 -6.435 9.640 1.00 0.00 N ATOM 276 CA LEU A 21 -4.708 -5.603 9.984 1.00 0.00 C ATOM 277 C LEU A 21 -5.414 -5.162 8.716 1.00 0.00 C ATOM 278 O LEU A 21 -4.881 -5.270 7.609 1.00 0.00 O ATOM 279 CB LEU A 21 -4.262 -4.377 10.796 1.00 0.00 C ATOM 280 CG LEU A 21 -2.945 -3.655 10.438 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.675 -4.407 10.858 1.00 0.00 C ATOM 282 CD2 LEU A 21 -2.814 -3.255 8.970 1.00 0.00 C ATOM 0 H LEU A 21 -3.222 -6.231 8.708 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.394 -6.182 10.603 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.063 -3.640 10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.190 -4.687 11.839 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.024 -2.746 11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.797 -3.829 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.676 -4.548 11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.648 -5.379 10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.858 -2.755 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.864 -4.146 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.626 -2.578 8.703 1.00 0.00 H new ATOM 294 N SER A 22 -6.611 -4.630 8.910 1.00 0.00 N ATOM 295 CA SER A 22 -7.437 -4.055 7.873 1.00 0.00 C ATOM 296 C SER A 22 -8.267 -2.889 8.415 1.00 0.00 C ATOM 297 O SER A 22 -8.580 -2.840 9.612 1.00 0.00 O ATOM 298 CB SER A 22 -8.307 -5.173 7.284 1.00 0.00 C ATOM 299 OG SER A 22 -8.916 -6.025 8.247 1.00 0.00 O ATOM 0 H SER A 22 -7.046 -4.588 9.832 1.00 0.00 H new ATOM 0 HA SER A 22 -6.817 -3.635 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.089 -4.722 6.673 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.693 -5.780 6.619 1.00 0.00 H new ATOM 0 HG SER A 22 -9.452 -6.706 7.789 1.00 0.00 H new ATOM 305 N THR A 23 -8.684 -1.986 7.527 1.00 0.00 N ATOM 306 CA THR A 23 -9.679 -0.945 7.774 1.00 0.00 C ATOM 307 C THR A 23 -10.573 -0.844 6.531 1.00 0.00 C ATOM 308 O THR A 23 -10.150 -1.215 5.431 1.00 0.00 O ATOM 309 CB THR A 23 -9.006 0.392 8.164 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.982 1.403 8.287 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.956 0.873 7.157 1.00 0.00 C ATOM 0 H THR A 23 -8.321 -1.960 6.574 1.00 0.00 H new ATOM 0 HA THR A 23 -10.306 -1.201 8.628 1.00 0.00 H new ATOM 0 HB THR A 23 -8.498 0.201 9.109 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.156 1.576 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.529 1.816 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.166 0.127 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.425 1.019 6.184 1.00 0.00 H new ATOM 319 N THR A 24 -11.790 -0.323 6.701 1.00 0.00 N ATOM 320 CA THR A 24 -12.706 0.029 5.627 1.00 0.00 C ATOM 321 C THR A 24 -12.722 1.551 5.516 1.00 0.00 C ATOM 322 O THR A 24 -13.229 2.212 6.424 1.00 0.00 O ATOM 323 CB THR A 24 -14.126 -0.500 5.906 1.00 0.00 C ATOM 324 OG1 THR A 24 -14.126 -1.671 6.692 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.866 -0.789 4.604 1.00 0.00 C ATOM 0 H THR A 24 -12.174 -0.130 7.626 1.00 0.00 H new ATOM 0 HA THR A 24 -12.373 -0.425 4.694 1.00 0.00 H new ATOM 0 HB THR A 24 -14.634 0.288 6.462 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.877 -2.438 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.866 -1.161 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.943 0.127 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.319 -1.540 4.034 1.00 0.00 H new ATOM 333 N LEU A 25 -12.197 2.144 4.439 1.00 0.00 N ATOM 334 CA LEU A 25 -12.304 3.593 4.255 1.00 0.00 C ATOM 335 C LEU A 25 -13.460 3.872 3.310 1.00 0.00 C ATOM 336 O LEU A 25 -13.567 3.220 2.268 1.00 0.00 O ATOM 337 CB LEU A 25 -11.029 4.224 3.677 1.00 0.00 C ATOM 338 CG LEU A 25 -9.744 4.149 4.527 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.917 5.411 4.286 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.950 4.044 6.045 1.00 0.00 C ATOM 0 H LEU A 25 -11.702 1.653 3.694 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.464 4.037 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.825 3.749 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.237 5.275 3.475 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.257 3.228 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.006 5.368 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.656 5.479 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.498 6.287 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.981 3.998 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.498 4.917 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.518 3.142 6.274 1.00 0.00 H new ATOM 352 N LYS A 26 -14.305 4.855 3.637 1.00 0.00 N ATOM 353 CA LYS A 26 -15.281 5.384 2.690 1.00 0.00 C ATOM 354 C LYS A 26 -14.628 6.438 1.798 1.00 0.00 C ATOM 355 O LYS A 26 -13.667 7.109 2.191 1.00 0.00 O ATOM 356 CB LYS A 26 -16.523 5.899 3.432 1.00 0.00 C ATOM 357 CG LYS A 26 -17.733 5.977 2.486 1.00 0.00 C ATOM 358 CD LYS A 26 -19.072 6.242 3.191 1.00 0.00 C ATOM 359 CE LYS A 26 -19.505 5.049 4.056 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.963 5.037 4.281 1.00 0.00 N ATOM 0 H LYS A 26 -14.329 5.299 4.555 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.627 4.587 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.752 5.239 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.319 6.885 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.558 6.767 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.807 5.041 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.985 7.131 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.840 6.449 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.204 4.120 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.989 5.089 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.217 4.217 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.247 5.912 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.455 4.973 3.367 1.00 0.00 H new ATOM 374 N LYS A 27 -15.139 6.585 0.581 1.00 0.00 N ATOM 375 CA LYS A 27 -14.725 7.590 -0.377 1.00 0.00 C ATOM 376 C LYS A 27 -15.373 8.929 -0.020 1.00 0.00 C ATOM 377 O LYS A 27 -16.220 9.441 -0.757 1.00 0.00 O ATOM 378 CB LYS A 27 -15.096 7.100 -1.780 1.00 0.00 C ATOM 379 CG LYS A 27 -14.524 8.047 -2.837 1.00 0.00 C ATOM 380 CD LYS A 27 -13.435 7.382 -3.683 1.00 0.00 C ATOM 381 CE LYS A 27 -12.943 8.384 -4.721 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.977 7.796 -5.666 1.00 0.00 N ATOM 0 H LYS A 27 -15.881 5.982 0.226 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.647 7.747 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.709 6.093 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.180 7.044 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.328 8.390 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.112 8.929 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.609 7.058 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.829 6.492 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.796 8.775 -5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.479 9.229 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.599 8.542 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.197 7.356 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.453 7.075 -6.245 1.00 0.00 H new ATOM 396 N SER A 28 -14.939 9.516 1.083 1.00 0.00 N ATOM 397 CA SER A 28 -15.358 10.839 1.534 1.00 0.00 C ATOM 398 C SER A 28 -14.290 11.865 1.110 1.00 0.00 C ATOM 399 O SER A 28 -13.202 11.487 0.666 1.00 0.00 O ATOM 400 CB SER A 28 -15.611 10.767 3.050 1.00 0.00 C ATOM 401 OG SER A 28 -16.620 11.677 3.465 1.00 0.00 O ATOM 0 H SER A 28 -14.266 9.075 1.710 1.00 0.00 H new ATOM 0 HA SER A 28 -16.291 11.168 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.904 9.753 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.685 10.984 3.583 1.00 0.00 H new ATOM 0 HG SER A 28 -16.752 11.600 4.433 1.00 0.00 H new ATOM 407 N ASN A 29 -14.576 13.166 1.252 1.00 0.00 N ATOM 408 CA ASN A 29 -13.787 14.307 0.754 1.00 0.00 C ATOM 409 C ASN A 29 -13.423 14.137 -0.730 1.00 0.00 C ATOM 410 O ASN A 29 -14.212 14.502 -1.604 1.00 0.00 O ATOM 411 CB ASN A 29 -12.564 14.622 1.656 1.00 0.00 C ATOM 412 CG ASN A 29 -12.837 15.664 2.740 1.00 0.00 C ATOM 413 OD1 ASN A 29 -13.973 15.882 3.160 1.00 0.00 O ATOM 414 ND2 ASN A 29 -11.791 16.284 3.267 1.00 0.00 N ATOM 0 H ASN A 29 -15.414 13.471 1.747 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.422 15.191 0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.230 13.699 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.745 14.973 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.923 16.950 4.029 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.854 16.096 2.911 1.00 0.00 H new ATOM 421 N MET A 30 -12.261 13.563 -1.032 1.00 0.00 N ATOM 422 CA MET A 30 -11.695 13.457 -2.374 1.00 0.00 C ATOM 423 C MET A 30 -11.509 11.997 -2.795 1.00 0.00 C ATOM 424 O MET A 30 -10.922 11.721 -3.844 1.00 0.00 O ATOM 425 CB MET A 30 -10.369 14.236 -2.426 1.00 0.00 C ATOM 426 CG MET A 30 -9.338 13.740 -1.403 1.00 0.00 C ATOM 427 SD MET A 30 -7.687 14.444 -1.606 1.00 0.00 S ATOM 428 CE MET A 30 -7.081 13.449 -2.993 1.00 0.00 C ATOM 0 H MET A 30 -11.664 13.142 -0.320 1.00 0.00 H new ATOM 0 HA MET A 30 -12.392 13.896 -3.088 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.946 14.155 -3.427 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.568 15.293 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.698 13.972 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.268 12.655 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.083 13.076 -2.764 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.754 12.608 -3.159 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.041 14.064 -3.892 1.00 0.00 H new ATOM 438 N GLY A 31 -11.948 11.050 -1.967 1.00 0.00 N ATOM 439 CA GLY A 31 -11.347 9.738 -1.897 1.00 0.00 C ATOM 440 C GLY A 31 -10.315 9.696 -0.785 1.00 0.00 C ATOM 441 O GLY A 31 -10.158 10.630 0.008 1.00 0.00 O ATOM 0 H GLY A 31 -12.733 11.181 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.116 8.986 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.877 9.493 -2.850 1.00 0.00 H new ATOM 445 N PHE A 32 -9.664 8.543 -0.695 1.00 0.00 N ATOM 446 CA PHE A 32 -8.936 8.136 0.489 1.00 0.00 C ATOM 447 C PHE A 32 -7.753 9.061 0.747 1.00 0.00 C ATOM 448 O PHE A 32 -7.128 9.565 -0.193 1.00 0.00 O ATOM 449 CB PHE A 32 -8.482 6.677 0.337 1.00 0.00 C ATOM 450 CG PHE A 32 -9.508 5.801 -0.351 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.736 5.535 0.284 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.284 5.367 -1.672 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.727 4.806 -0.391 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.287 4.655 -2.350 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.498 4.364 -1.703 1.00 0.00 C ATOM 0 H PHE A 32 -9.629 7.861 -1.452 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.595 8.208 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.552 6.650 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.266 6.266 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.915 5.891 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.345 5.581 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.664 4.586 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.127 4.332 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.259 3.796 -2.218 1.00 0.00 H new ATOM 465 N GLY A 33 -7.413 9.226 2.020 1.00 0.00 N ATOM 466 CA GLY A 33 -6.365 10.122 2.473 1.00 0.00 C ATOM 467 C GLY A 33 -5.000 9.458 2.492 1.00 0.00 C ATOM 468 O GLY A 33 -4.269 9.655 3.453 1.00 0.00 O ATOM 0 H GLY A 33 -7.872 8.726 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.332 10.995 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.605 10.480 3.474 1.00 0.00 H new ATOM 472 N PHE A 34 -4.663 8.639 1.498 1.00 0.00 N ATOM 473 CA PHE A 34 -3.339 8.051 1.375 1.00 0.00 C ATOM 474 C PHE A 34 -2.989 7.912 -0.106 1.00 0.00 C ATOM 475 O PHE A 34 -3.867 8.015 -0.969 1.00 0.00 O ATOM 476 CB PHE A 34 -3.299 6.714 2.133 1.00 0.00 C ATOM 477 CG PHE A 34 -4.168 5.611 1.554 1.00 0.00 C ATOM 478 CD1 PHE A 34 -3.645 4.732 0.589 1.00 0.00 C ATOM 479 CD2 PHE A 34 -5.491 5.440 2.005 1.00 0.00 C ATOM 480 CE1 PHE A 34 -4.450 3.691 0.089 1.00 0.00 C ATOM 481 CE2 PHE A 34 -6.285 4.384 1.526 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.758 3.501 0.567 1.00 0.00 C ATOM 0 H PHE A 34 -5.306 8.366 0.755 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.583 8.693 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.267 6.363 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.605 6.891 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.632 4.855 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.901 6.129 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.058 3.031 -0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.293 4.252 1.892 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.356 2.680 0.199 1.00 0.00 H new ATOM 492 N THR A 35 -1.721 7.659 -0.408 1.00 0.00 N ATOM 493 CA THR A 35 -1.212 7.395 -1.746 1.00 0.00 C ATOM 494 C THR A 35 -0.388 6.106 -1.703 1.00 0.00 C ATOM 495 O THR A 35 0.040 5.676 -0.630 1.00 0.00 O ATOM 496 CB THR A 35 -0.422 8.622 -2.239 1.00 0.00 C ATOM 497 OG1 THR A 35 0.421 9.140 -1.231 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.379 9.737 -2.668 1.00 0.00 C ATOM 0 H THR A 35 -0.990 7.631 0.303 1.00 0.00 H new ATOM 0 HA THR A 35 -2.016 7.239 -2.465 1.00 0.00 H new ATOM 0 HB THR A 35 0.183 8.288 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.908 9.916 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.805 10.597 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.017 9.378 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.998 10.031 -1.820 1.00 0.00 H new ATOM 506 N ILE A 36 -0.180 5.455 -2.850 1.00 0.00 N ATOM 507 CA ILE A 36 0.452 4.144 -2.962 1.00 0.00 C ATOM 508 C ILE A 36 1.685 4.246 -3.883 1.00 0.00 C ATOM 509 O ILE A 36 1.851 5.251 -4.578 1.00 0.00 O ATOM 510 CB ILE A 36 -0.626 3.119 -3.401 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.930 3.253 -2.574 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.134 1.679 -3.200 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.031 4.125 -3.191 1.00 0.00 C ATOM 0 H ILE A 36 -0.457 5.840 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 36 0.842 3.784 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.819 3.331 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.335 2.255 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.676 3.661 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.910 0.982 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.765 1.515 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.093 1.516 -2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.894 4.146 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.656 5.139 -3.331 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.326 3.711 -4.155 1.00 0.00 H new ATOM 525 N ILE A 37 2.587 3.268 -3.829 1.00 0.00 N ATOM 526 CA ILE A 37 3.828 3.178 -4.600 1.00 0.00 C ATOM 527 C ILE A 37 3.946 1.745 -5.147 1.00 0.00 C ATOM 528 O ILE A 37 3.364 0.810 -4.589 1.00 0.00 O ATOM 529 CB ILE A 37 5.028 3.647 -3.725 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.416 3.315 -4.310 1.00 0.00 C ATOM 531 CG2 ILE A 37 4.957 3.083 -2.296 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.531 4.211 -3.755 1.00 0.00 C ATOM 0 H ILE A 37 2.465 2.468 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 37 3.829 3.846 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 37 4.926 4.732 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.654 2.273 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.381 3.418 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.814 3.436 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.037 3.419 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.970 1.994 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.483 3.928 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.313 5.252 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.591 4.090 -2.673 1.00 0.00 H new ATOM 544 N GLY A 38 4.683 1.598 -6.247 1.00 0.00 N ATOM 545 CA GLY A 38 4.985 0.395 -7.007 1.00 0.00 C ATOM 546 C GLY A 38 6.317 -0.207 -6.573 1.00 0.00 C ATOM 547 O GLY A 38 7.164 0.467 -5.978 1.00 0.00 O ATOM 0 H GLY A 38 5.130 2.411 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.189 -0.336 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.018 0.631 -8.071 1.00 0.00 H new ATOM 551 N GLY A 39 6.492 -1.512 -6.775 1.00 0.00 N ATOM 552 CA GLY A 39 7.820 -1.953 -7.184 1.00 0.00 C ATOM 553 C GLY A 39 8.144 -1.312 -8.526 1.00 0.00 C ATOM 554 O GLY A 39 8.555 -0.150 -8.590 1.00 0.00 O ATOM 0 H GLY A 39 5.783 -2.238 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.561 -1.667 -6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.851 -3.040 -7.265 1.00 0.00 H new ATOM 558 N ASP A 40 7.844 -2.040 -9.599 1.00 0.00 N ATOM 559 CA ASP A 40 7.883 -1.536 -10.964 1.00 0.00 C ATOM 560 C ASP A 40 7.005 -2.459 -11.807 1.00 0.00 C ATOM 561 O ASP A 40 5.915 -2.083 -12.245 1.00 0.00 O ATOM 562 CB ASP A 40 9.334 -1.464 -11.486 1.00 0.00 C ATOM 563 CG ASP A 40 9.463 -0.348 -12.517 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.671 -0.302 -13.483 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.283 0.571 -12.286 1.00 0.00 O ATOM 0 H ASP A 40 7.561 -3.018 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 40 7.501 -0.516 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.019 -1.285 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.616 -2.417 -11.933 1.00 0.00 H new ATOM 570 N GLU A 41 7.428 -3.715 -11.935 1.00 0.00 N ATOM 571 CA GLU A 41 6.770 -4.768 -12.709 1.00 0.00 C ATOM 572 C GLU A 41 5.669 -5.460 -11.871 1.00 0.00 C ATOM 573 O GLU A 41 5.577 -5.206 -10.665 1.00 0.00 O ATOM 574 CB GLU A 41 7.883 -5.701 -13.242 1.00 0.00 C ATOM 575 CG GLU A 41 8.616 -5.099 -14.460 1.00 0.00 C ATOM 576 CD GLU A 41 7.782 -5.080 -15.754 1.00 0.00 C ATOM 577 OE1 GLU A 41 6.804 -4.298 -15.850 1.00 0.00 O ATOM 578 OE2 GLU A 41 8.117 -5.827 -16.700 1.00 0.00 O ATOM 0 H GLU A 41 8.280 -4.043 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 41 6.228 -4.376 -13.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.603 -5.896 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.448 -6.661 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.917 -4.079 -14.221 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.529 -5.668 -14.638 1.00 0.00 H new ATOM 585 N PRO A 42 4.773 -6.269 -12.478 1.00 0.00 N ATOM 586 CA PRO A 42 3.521 -6.717 -11.860 1.00 0.00 C ATOM 587 C PRO A 42 3.735 -7.941 -10.955 1.00 0.00 C ATOM 588 O PRO A 42 3.003 -8.927 -11.045 1.00 0.00 O ATOM 589 CB PRO A 42 2.596 -6.999 -13.055 1.00 0.00 C ATOM 590 CG PRO A 42 3.556 -7.554 -14.098 1.00 0.00 C ATOM 591 CD PRO A 42 4.804 -6.706 -13.872 1.00 0.00 C ATOM 0 HA PRO A 42 3.090 -5.975 -11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.815 -7.716 -12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.098 -6.094 -13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.752 -8.615 -13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.166 -7.443 -15.110 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.706 -7.284 -14.076 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.816 -5.849 -14.545 1.00 0.00 H new ATOM 599 N ASP A 43 4.776 -7.906 -10.125 1.00 0.00 N ATOM 600 CA ASP A 43 5.292 -9.048 -9.364 1.00 0.00 C ATOM 601 C ASP A 43 6.076 -8.530 -8.143 1.00 0.00 C ATOM 602 O ASP A 43 7.125 -9.069 -7.783 1.00 0.00 O ATOM 603 CB ASP A 43 6.147 -9.930 -10.306 1.00 0.00 C ATOM 604 CG ASP A 43 6.250 -11.401 -9.887 1.00 0.00 C ATOM 605 OD1 ASP A 43 5.929 -11.776 -8.738 1.00 0.00 O ATOM 606 OD2 ASP A 43 6.590 -12.247 -10.749 1.00 0.00 O ATOM 0 H ASP A 43 5.305 -7.050 -9.956 1.00 0.00 H new ATOM 0 HA ASP A 43 4.483 -9.670 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.725 -9.881 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.152 -9.511 -10.362 1.00 0.00 H new ATOM 611 N GLU A 44 5.633 -7.407 -7.554 1.00 0.00 N ATOM 612 CA GLU A 44 6.377 -6.632 -6.558 1.00 0.00 C ATOM 613 C GLU A 44 5.492 -6.115 -5.410 1.00 0.00 C ATOM 614 O GLU A 44 4.267 -6.226 -5.430 1.00 0.00 O ATOM 615 CB GLU A 44 7.055 -5.425 -7.222 1.00 0.00 C ATOM 616 CG GLU A 44 8.224 -5.751 -8.162 1.00 0.00 C ATOM 617 CD GLU A 44 9.509 -5.087 -7.666 1.00 0.00 C ATOM 618 OE1 GLU A 44 9.998 -5.469 -6.578 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.005 -4.153 -8.337 1.00 0.00 O ATOM 0 H GLU A 44 4.720 -7.005 -7.767 1.00 0.00 H new ATOM 0 HA GLU A 44 7.115 -7.314 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.302 -4.874 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.418 -4.759 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.363 -6.831 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.995 -5.406 -9.170 1.00 0.00 H new ATOM 626 N PHE A 45 6.133 -5.514 -4.401 1.00 0.00 N ATOM 627 CA PHE A 45 5.517 -5.059 -3.163 1.00 0.00 C ATOM 628 C PHE A 45 5.008 -3.635 -3.314 1.00 0.00 C ATOM 629 O PHE A 45 5.765 -2.675 -3.457 1.00 0.00 O ATOM 630 CB PHE A 45 6.511 -5.191 -1.998 1.00 0.00 C ATOM 631 CG PHE A 45 7.274 -6.496 -2.062 1.00 0.00 C ATOM 632 CD1 PHE A 45 6.577 -7.707 -1.897 1.00 0.00 C ATOM 633 CD2 PHE A 45 8.625 -6.507 -2.458 1.00 0.00 C ATOM 634 CE1 PHE A 45 7.226 -8.927 -2.163 1.00 0.00 C ATOM 635 CE2 PHE A 45 9.274 -7.725 -2.706 1.00 0.00 C ATOM 636 CZ PHE A 45 8.574 -8.934 -2.572 1.00 0.00 C ATOM 0 H PHE A 45 7.135 -5.327 -4.432 1.00 0.00 H new ATOM 0 HA PHE A 45 4.657 -5.689 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.213 -4.357 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.974 -5.129 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.548 -7.700 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.162 -5.577 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.690 -9.858 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.313 -7.733 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.069 -9.870 -2.783 1.00 0.00 H new ATOM 646 N LEU A 46 3.683 -3.508 -3.272 1.00 0.00 N ATOM 647 CA LEU A 46 2.986 -2.236 -3.247 1.00 0.00 C ATOM 648 C LEU A 46 3.001 -1.756 -1.800 1.00 0.00 C ATOM 649 O LEU A 46 2.675 -2.538 -0.905 1.00 0.00 O ATOM 650 CB LEU A 46 1.526 -2.473 -3.659 1.00 0.00 C ATOM 651 CG LEU A 46 1.354 -3.013 -5.087 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.022 -3.750 -5.140 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.343 -1.885 -6.122 1.00 0.00 C ATOM 0 H LEU A 46 3.054 -4.311 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 46 3.451 -1.513 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.072 -3.176 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.978 -1.535 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 46 2.191 -3.670 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.134 -4.148 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.031 -4.570 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.785 -3.060 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.220 -2.307 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.517 -1.206 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.284 -1.338 -6.074 1.00 0.00 H new ATOM 665 N GLN A 47 3.311 -0.481 -1.552 1.00 0.00 N ATOM 666 CA GLN A 47 3.273 0.071 -0.196 1.00 0.00 C ATOM 667 C GLN A 47 2.445 1.347 -0.148 1.00 0.00 C ATOM 668 O GLN A 47 2.281 2.022 -1.164 1.00 0.00 O ATOM 669 CB GLN A 47 4.685 0.331 0.356 1.00 0.00 C ATOM 670 CG GLN A 47 5.537 -0.942 0.413 1.00 0.00 C ATOM 671 CD GLN A 47 6.752 -0.779 1.321 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.888 -0.738 0.863 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.544 -0.666 2.626 1.00 0.00 N ATOM 0 H GLN A 47 3.590 0.187 -2.271 1.00 0.00 H new ATOM 0 HA GLN A 47 2.799 -0.677 0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.185 1.071 -0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.608 0.758 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.926 -1.771 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.869 -1.201 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.594 -0.702 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.334 -0.544 3.260 1.00 0.00 H new ATOM 682 N VAL A 48 1.926 1.706 1.029 1.00 0.00 N ATOM 683 CA VAL A 48 1.362 3.021 1.275 1.00 0.00 C ATOM 684 C VAL A 48 2.505 4.037 1.187 1.00 0.00 C ATOM 685 O VAL A 48 3.341 4.107 2.093 1.00 0.00 O ATOM 686 CB VAL A 48 0.676 3.003 2.655 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.073 4.356 3.041 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.435 1.953 2.630 1.00 0.00 C ATOM 0 H VAL A 48 1.889 1.085 1.837 1.00 0.00 H new ATOM 0 HA VAL A 48 0.605 3.300 0.542 1.00 0.00 H new ATOM 0 HB VAL A 48 1.437 2.768 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.395 4.279 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.860 5.109 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.676 4.644 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.932 1.926 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.160 2.209 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.006 0.974 2.415 1.00 0.00 H new ATOM 698 N LYS A 49 2.572 4.787 0.082 1.00 0.00 N ATOM 699 CA LYS A 49 3.560 5.835 -0.175 1.00 0.00 C ATOM 700 C LYS A 49 3.533 6.835 0.966 1.00 0.00 C ATOM 701 O LYS A 49 4.580 7.149 1.522 1.00 0.00 O ATOM 702 CB LYS A 49 3.278 6.517 -1.528 1.00 0.00 C ATOM 703 CG LYS A 49 4.346 7.555 -1.909 1.00 0.00 C ATOM 704 CD LYS A 49 3.962 8.395 -3.137 1.00 0.00 C ATOM 705 CE LYS A 49 4.533 7.831 -4.441 1.00 0.00 C ATOM 706 NZ LYS A 49 5.961 8.170 -4.633 1.00 0.00 N ATOM 0 H LYS A 49 1.912 4.674 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 49 4.556 5.397 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.223 5.757 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.304 7.004 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.517 8.219 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.287 7.042 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.876 8.445 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.319 9.416 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.417 6.747 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.956 8.216 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.297 7.764 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.072 9.204 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.519 7.781 -3.847 1.00 0.00 H new ATOM 720 N SER A 50 2.338 7.306 1.309 1.00 0.00 N ATOM 721 CA SER A 50 2.126 8.284 2.358 1.00 0.00 C ATOM 722 C SER A 50 0.668 8.251 2.785 1.00 0.00 C ATOM 723 O SER A 50 -0.207 7.952 1.969 1.00 0.00 O ATOM 724 CB SER A 50 2.523 9.681 1.856 1.00 0.00 C ATOM 725 OG SER A 50 2.481 9.827 0.442 1.00 0.00 O ATOM 0 H SER A 50 1.475 7.009 0.853 1.00 0.00 H new ATOM 0 HA SER A 50 2.748 8.045 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.858 10.419 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.531 9.906 2.203 1.00 0.00 H new ATOM 0 HG SER A 50 1.616 9.512 0.106 1.00 0.00 H new ATOM 731 N VAL A 51 0.398 8.616 4.033 1.00 0.00 N ATOM 732 CA VAL A 51 -0.923 8.963 4.522 1.00 0.00 C ATOM 733 C VAL A 51 -0.936 10.489 4.637 1.00 0.00 C ATOM 734 O VAL A 51 0.007 11.086 5.161 1.00 0.00 O ATOM 735 CB VAL A 51 -1.213 8.226 5.846 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.630 8.549 6.323 1.00 0.00 C ATOM 737 CG2 VAL A 51 -1.138 6.698 5.663 1.00 0.00 C ATOM 0 H VAL A 51 1.118 8.679 4.752 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.724 8.649 3.853 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.465 8.555 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.827 8.025 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.724 9.623 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.349 8.229 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.347 6.207 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.874 6.384 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.140 6.421 5.323 1.00 0.00 H new ATOM 747 N ILE A 52 -1.961 11.136 4.083 1.00 0.00 N ATOM 748 CA ILE A 52 -2.117 12.569 4.167 1.00 0.00 C ATOM 749 C ILE A 52 -2.700 12.882 5.548 1.00 0.00 C ATOM 750 O ILE A 52 -3.747 12.332 5.908 1.00 0.00 O ATOM 751 CB ILE A 52 -3.002 13.115 3.035 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.330 13.034 1.646 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.289 14.606 3.317 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.870 11.664 1.140 1.00 0.00 C ATOM 0 H ILE A 52 -2.704 10.669 3.563 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.152 13.061 4.045 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.905 12.504 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.028 13.441 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.461 13.693 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.917 15.012 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.804 14.703 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.349 15.157 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.419 11.773 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.136 11.249 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.727 10.993 1.075 1.00 0.00 H new ATOM 766 N PRO A 53 -2.103 13.827 6.285 1.00 0.00 N ATOM 767 CA PRO A 53 -2.541 14.211 7.616 1.00 0.00 C ATOM 768 C PRO A 53 -3.730 15.183 7.609 1.00 0.00 C ATOM 769 O PRO A 53 -3.751 16.193 8.314 1.00 0.00 O ATOM 770 CB PRO A 53 -1.283 14.794 8.223 1.00 0.00 C ATOM 771 CG PRO A 53 -0.569 15.485 7.071 1.00 0.00 C ATOM 772 CD PRO A 53 -0.860 14.514 5.938 1.00 0.00 C ATOM 0 HA PRO A 53 -2.938 13.375 8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.520 15.499 9.019 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.660 14.015 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.967 16.481 6.875 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.499 15.599 7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.961 15.043 4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.044 13.801 5.819 1.00 0.00 H new ATOM 780 N ASP A 54 -4.734 14.886 6.798 1.00 0.00 N ATOM 781 CA ASP A 54 -6.086 15.455 6.844 1.00 0.00 C ATOM 782 C ASP A 54 -7.063 14.541 6.094 1.00 0.00 C ATOM 783 O ASP A 54 -7.890 14.987 5.289 1.00 0.00 O ATOM 784 CB ASP A 54 -6.146 16.885 6.285 1.00 0.00 C ATOM 785 CG ASP A 54 -7.540 17.497 6.488 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.073 17.396 7.617 1.00 0.00 O ATOM 787 OD2 ASP A 54 -8.081 18.090 5.524 1.00 0.00 O ATOM 0 H ASP A 54 -4.629 14.205 6.046 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.377 15.518 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.398 17.504 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.900 16.875 5.223 1.00 0.00 H new ATOM 792 N GLY A 55 -6.959 13.229 6.307 1.00 0.00 N ATOM 793 CA GLY A 55 -7.770 12.258 5.586 1.00 0.00 C ATOM 794 C GLY A 55 -8.418 11.236 6.515 1.00 0.00 C ATOM 795 O GLY A 55 -7.991 11.095 7.665 1.00 0.00 O ATOM 0 H GLY A 55 -6.314 12.815 6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.546 12.781 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.148 11.739 4.857 1.00 0.00 H new ATOM 799 N PRO A 56 -9.401 10.466 6.005 1.00 0.00 N ATOM 800 CA PRO A 56 -10.056 9.415 6.777 1.00 0.00 C ATOM 801 C PRO A 56 -9.093 8.281 7.156 1.00 0.00 C ATOM 802 O PRO A 56 -9.340 7.575 8.126 1.00 0.00 O ATOM 803 CB PRO A 56 -11.226 8.933 5.909 1.00 0.00 C ATOM 804 CG PRO A 56 -10.890 9.369 4.483 1.00 0.00 C ATOM 805 CD PRO A 56 -9.996 10.594 4.678 1.00 0.00 C ATOM 0 HA PRO A 56 -10.411 9.791 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.340 7.851 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.167 9.372 6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.374 8.581 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.789 9.615 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.224 10.637 3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.576 11.514 4.600 1.00 0.00 H new ATOM 813 N ALA A 57 -7.987 8.128 6.416 1.00 0.00 N ATOM 814 CA ALA A 57 -6.912 7.202 6.742 1.00 0.00 C ATOM 815 C ALA A 57 -6.255 7.613 8.060 1.00 0.00 C ATOM 816 O ALA A 57 -6.299 6.846 9.017 1.00 0.00 O ATOM 817 CB ALA A 57 -5.906 7.178 5.587 1.00 0.00 C ATOM 0 H ALA A 57 -7.818 8.657 5.560 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.306 6.194 6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.097 6.487 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.407 6.853 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.497 8.178 5.440 1.00 0.00 H new ATOM 823 N ALA A 58 -5.687 8.826 8.102 1.00 0.00 N ATOM 824 CA ALA A 58 -5.046 9.386 9.286 1.00 0.00 C ATOM 825 C ALA A 58 -5.996 9.369 10.483 1.00 0.00 C ATOM 826 O ALA A 58 -5.580 9.027 11.583 1.00 0.00 O ATOM 827 CB ALA A 58 -4.572 10.818 8.998 1.00 0.00 C ATOM 0 H ALA A 58 -5.663 9.452 7.297 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.182 8.769 9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.094 11.229 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.857 10.806 8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.427 11.437 8.727 1.00 0.00 H new ATOM 833 N GLN A 59 -7.271 9.719 10.268 1.00 0.00 N ATOM 834 CA GLN A 59 -8.257 9.727 11.342 1.00 0.00 C ATOM 835 C GLN A 59 -8.568 8.330 11.873 1.00 0.00 C ATOM 836 O GLN A 59 -9.119 8.246 12.968 1.00 0.00 O ATOM 837 CB GLN A 59 -9.565 10.405 10.899 1.00 0.00 C ATOM 838 CG GLN A 59 -9.454 11.936 10.812 1.00 0.00 C ATOM 839 CD GLN A 59 -10.657 12.618 11.462 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.731 12.750 12.683 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.647 13.038 10.692 1.00 0.00 N ATOM 0 H GLN A 59 -7.638 9.999 9.358 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.805 10.301 12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.859 10.013 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.358 10.144 11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.538 12.265 11.303 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.382 12.239 9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.587 12.929 9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.470 13.471 11.111 1.00 0.00 H new ATOM 850 N ASP A 60 -8.296 7.247 11.135 1.00 0.00 N ATOM 851 CA ASP A 60 -8.589 5.895 11.613 1.00 0.00 C ATOM 852 C ASP A 60 -7.353 5.208 12.178 1.00 0.00 C ATOM 853 O ASP A 60 -7.458 4.369 13.070 1.00 0.00 O ATOM 854 CB ASP A 60 -9.193 5.029 10.502 1.00 0.00 C ATOM 855 CG ASP A 60 -9.973 3.857 11.098 1.00 0.00 C ATOM 856 OD1 ASP A 60 -10.625 4.021 12.153 1.00 0.00 O ATOM 857 OD2 ASP A 60 -10.020 2.773 10.481 1.00 0.00 O ATOM 0 H ASP A 60 -7.874 7.283 10.207 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.318 6.004 12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.853 5.634 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.401 4.654 9.854 1.00 0.00 H new ATOM 862 N GLY A 61 -6.172 5.540 11.659 1.00 0.00 N ATOM 863 CA GLY A 61 -4.876 5.214 12.238 1.00 0.00 C ATOM 864 C GLY A 61 -4.423 3.776 12.002 1.00 0.00 C ATOM 865 O GLY A 61 -3.237 3.480 12.129 1.00 0.00 O ATOM 0 H GLY A 61 -6.092 6.065 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.127 5.890 11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.915 5.398 13.312 1.00 0.00 H new ATOM 869 N LYS A 62 -5.336 2.872 11.622 1.00 0.00 N ATOM 870 CA LYS A 62 -4.958 1.487 11.292 1.00 0.00 C ATOM 871 C LYS A 62 -4.166 1.428 9.987 1.00 0.00 C ATOM 872 O LYS A 62 -3.558 0.402 9.691 1.00 0.00 O ATOM 873 CB LYS A 62 -6.154 0.523 11.189 1.00 0.00 C ATOM 874 CG LYS A 62 -6.968 0.340 12.483 1.00 0.00 C ATOM 875 CD LYS A 62 -8.307 1.073 12.381 1.00 0.00 C ATOM 876 CE LYS A 62 -9.109 1.023 13.682 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.416 1.694 13.538 1.00 0.00 N ATOM 0 H LYS A 62 -6.333 3.070 11.535 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.341 1.157 12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.823 0.883 10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.786 -0.452 10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.140 -0.721 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.402 0.721 13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.127 2.113 12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.898 0.632 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.262 -0.015 13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.540 1.500 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.927 1.657 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.268 2.686 13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.975 1.212 12.805 1.00 0.00 H new ATOM 891 N MET A 63 -4.198 2.490 9.184 1.00 0.00 N ATOM 892 CA MET A 63 -3.303 2.694 8.067 1.00 0.00 C ATOM 893 C MET A 63 -2.239 3.649 8.555 1.00 0.00 C ATOM 894 O MET A 63 -2.606 4.696 9.091 1.00 0.00 O ATOM 895 CB MET A 63 -4.064 3.380 6.924 1.00 0.00 C ATOM 896 CG MET A 63 -3.683 2.797 5.566 1.00 0.00 C ATOM 897 SD MET A 63 -5.016 1.779 4.877 1.00 0.00 S ATOM 898 CE MET A 63 -6.229 3.100 4.625 1.00 0.00 C ATOM 0 H MET A 63 -4.869 3.249 9.303 1.00 0.00 H new ATOM 0 HA MET A 63 -2.890 1.749 7.714 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.137 3.267 7.081 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.851 4.449 6.934 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.449 3.607 4.875 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.781 2.194 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.821 2.886 3.735 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.887 3.160 5.492 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.711 4.050 4.496 1.00 0.00 H new ATOM 908 N GLU A 64 -0.973 3.358 8.288 1.00 0.00 N ATOM 909 CA GLU A 64 0.073 4.354 8.371 1.00 0.00 C ATOM 910 C GLU A 64 0.922 4.283 7.109 1.00 0.00 C ATOM 911 O GLU A 64 0.650 3.509 6.185 1.00 0.00 O ATOM 912 CB GLU A 64 0.846 4.204 9.689 1.00 0.00 C ATOM 913 CG GLU A 64 0.036 4.880 10.811 1.00 0.00 C ATOM 914 CD GLU A 64 0.923 5.342 11.954 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.705 6.299 11.754 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.840 4.737 13.051 1.00 0.00 O ATOM 0 H GLU A 64 -0.649 2.431 8.010 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.337 5.363 8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.003 3.150 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.831 4.662 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.505 5.734 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.710 4.182 11.190 1.00 0.00 H new ATOM 923 N THR A 65 1.883 5.189 7.012 1.00 0.00 N ATOM 924 CA THR A 65 2.801 5.243 5.894 1.00 0.00 C ATOM 925 C THR A 65 3.781 4.066 6.003 1.00 0.00 C ATOM 926 O THR A 65 4.039 3.566 7.101 1.00 0.00 O ATOM 927 CB THR A 65 3.468 6.621 5.945 1.00 0.00 C ATOM 928 OG1 THR A 65 2.484 7.639 5.867 1.00 0.00 O ATOM 929 CG2 THR A 65 4.504 6.828 4.847 1.00 0.00 C ATOM 0 H THR A 65 2.046 5.911 7.714 1.00 0.00 H new ATOM 0 HA THR A 65 2.315 5.137 4.924 1.00 0.00 H new ATOM 0 HB THR A 65 3.997 6.675 6.897 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.918 8.517 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.938 7.823 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.290 6.079 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.026 6.730 3.872 1.00 0.00 H new ATOM 937 N GLY A 66 4.335 3.629 4.866 1.00 0.00 N ATOM 938 CA GLY A 66 5.308 2.547 4.823 1.00 0.00 C ATOM 939 C GLY A 66 4.728 1.272 5.414 1.00 0.00 C ATOM 940 O GLY A 66 5.283 0.712 6.352 1.00 0.00 O ATOM 0 H GLY A 66 4.116 4.021 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.614 2.368 3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.202 2.835 5.376 1.00 0.00 H new ATOM 944 N ASP A 67 3.603 0.842 4.851 1.00 0.00 N ATOM 945 CA ASP A 67 2.889 -0.394 5.150 1.00 0.00 C ATOM 946 C ASP A 67 2.655 -1.083 3.782 1.00 0.00 C ATOM 947 O ASP A 67 2.575 -0.370 2.780 1.00 0.00 O ATOM 948 CB ASP A 67 1.541 -0.045 5.818 1.00 0.00 C ATOM 949 CG ASP A 67 1.436 -0.014 7.353 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.019 -0.886 8.042 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.580 0.745 7.867 1.00 0.00 O ATOM 0 H ASP A 67 3.135 1.385 4.125 1.00 0.00 H new ATOM 0 HA ASP A 67 3.442 -1.044 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.240 0.936 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.803 -0.761 5.456 1.00 0.00 H new ATOM 956 N VAL A 68 2.557 -2.416 3.679 1.00 0.00 N ATOM 957 CA VAL A 68 2.510 -3.186 2.419 1.00 0.00 C ATOM 958 C VAL A 68 1.068 -3.589 2.115 1.00 0.00 C ATOM 959 O VAL A 68 0.428 -4.198 2.965 1.00 0.00 O ATOM 960 CB VAL A 68 3.410 -4.444 2.514 1.00 0.00 C ATOM 961 CG1 VAL A 68 3.190 -5.456 1.369 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.886 -4.039 2.523 1.00 0.00 C ATOM 0 H VAL A 68 2.506 -3.016 4.503 1.00 0.00 H new ATOM 0 HA VAL A 68 2.885 -2.559 1.610 1.00 0.00 H new ATOM 0 HB VAL A 68 3.128 -4.936 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.855 -6.309 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.155 -5.798 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.404 -4.977 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.508 -4.932 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.121 -3.501 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.081 -3.395 3.381 1.00 0.00 H new ATOM 972 N ILE A 69 0.555 -3.292 0.917 1.00 0.00 N ATOM 973 CA ILE A 69 -0.759 -3.712 0.455 1.00 0.00 C ATOM 974 C ILE A 69 -0.699 -5.193 0.101 1.00 0.00 C ATOM 975 O ILE A 69 0.160 -5.635 -0.669 1.00 0.00 O ATOM 976 CB ILE A 69 -1.274 -2.857 -0.726 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.424 -1.369 -0.358 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.683 -3.324 -1.149 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.152 -0.532 -0.349 1.00 0.00 C ATOM 0 H ILE A 69 1.062 -2.737 0.227 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.480 -3.558 1.258 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.536 -2.977 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.124 -0.915 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.878 -1.308 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.034 -2.714 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.643 -4.369 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.369 -3.219 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.394 0.495 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.550 -0.945 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.300 -0.546 -1.341 1.00 0.00 H new ATOM 991 N VAL A 70 -1.670 -5.919 0.643 1.00 0.00 N ATOM 992 CA VAL A 70 -1.916 -7.325 0.384 1.00 0.00 C ATOM 993 C VAL A 70 -3.162 -7.465 -0.501 1.00 0.00 C ATOM 994 O VAL A 70 -3.076 -7.969 -1.623 1.00 0.00 O ATOM 995 CB VAL A 70 -2.072 -8.065 1.726 1.00 0.00 C ATOM 996 CG1 VAL A 70 -2.093 -9.568 1.489 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.027 -7.688 2.796 1.00 0.00 C ATOM 0 H VAL A 70 -2.336 -5.521 1.305 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.078 -7.773 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.025 -7.737 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.204 -10.085 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.930 -9.822 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.160 -9.875 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.216 -8.258 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.028 -7.917 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.098 -6.622 3.014 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.318 -7.018 -0.003 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.605 -7.140 -0.674 1.00 0.00 C ATOM 1009 C TYR A 71 -6.282 -5.775 -0.713 1.00 0.00 C ATOM 1010 O TYR A 71 -6.019 -4.920 0.141 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.541 -8.126 0.049 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.997 -9.506 0.366 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.370 -9.738 1.599 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -6.167 -10.582 -0.522 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -4.879 -11.003 1.930 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -5.639 -11.852 -0.215 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.965 -12.062 1.009 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.339 -13.232 1.302 1.00 0.00 O ATOM 0 H TYR A 71 -4.381 -6.550 0.901 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.418 -7.517 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.855 -7.665 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.435 -8.249 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.265 -8.926 2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.706 -10.435 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.431 -11.169 2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.750 -12.666 -0.916 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.486 -13.872 0.575 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.206 -5.616 -1.658 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.132 -4.500 -1.756 1.00 0.00 C ATOM 1030 C ILE A 72 -9.504 -5.156 -1.898 1.00 0.00 C ATOM 1031 O ILE A 72 -9.737 -5.896 -2.854 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.744 -3.559 -2.924 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.329 -2.984 -2.685 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.790 -2.443 -3.080 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.856 -1.963 -3.722 1.00 0.00 C ATOM 0 H ILE A 72 -7.332 -6.295 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.120 -3.842 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.726 -4.125 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.306 -2.516 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.618 -3.810 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.505 -1.789 -3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.765 -2.884 -3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.843 -1.863 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.854 -1.621 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.839 -2.427 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.538 -1.113 -3.733 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.379 -4.916 -0.918 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.593 -5.656 -0.579 1.00 0.00 C ATOM 1049 C ASN A 73 -11.349 -7.161 -0.518 1.00 0.00 C ATOM 1050 O ASN A 73 -11.157 -7.722 0.558 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.788 -5.287 -1.490 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.683 -4.211 -0.896 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -13.945 -4.195 0.300 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.162 -3.268 -1.683 1.00 0.00 N ATOM 0 H ASN A 73 -10.241 -4.127 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.874 -5.345 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.410 -4.945 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.382 -6.181 -1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.748 -2.529 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.946 -3.277 -2.680 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.381 -7.806 -1.676 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.376 -9.247 -1.838 1.00 0.00 C ATOM 1063 C GLU A 74 -10.559 -9.662 -3.069 1.00 0.00 C ATOM 1064 O GLU A 74 -10.642 -10.811 -3.500 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.832 -9.745 -1.828 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.691 -9.291 -3.018 1.00 0.00 C ATOM 1067 CD GLU A 74 -15.188 -9.458 -2.732 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -15.627 -10.550 -2.300 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.962 -8.507 -2.997 1.00 0.00 O ATOM 0 H GLU A 74 -11.413 -7.312 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.868 -9.734 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.825 -10.835 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.308 -9.406 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.478 -8.246 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.423 -9.869 -3.902 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.763 -8.743 -3.631 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.809 -9.008 -4.697 1.00 0.00 C ATOM 1078 C VAL A 75 -7.425 -9.018 -4.049 1.00 0.00 C ATOM 1079 O VAL A 75 -7.014 -8.028 -3.438 1.00 0.00 O ATOM 1080 CB VAL A 75 -8.934 -7.944 -5.811 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.011 -8.268 -6.997 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.376 -7.841 -6.338 1.00 0.00 C ATOM 0 H VAL A 75 -9.772 -7.765 -3.341 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.997 -9.967 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.642 -6.994 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.122 -7.502 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.976 -8.294 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.280 -9.239 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.424 -7.083 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.684 -8.804 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.043 -7.563 -5.522 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.708 -10.135 -4.162 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.298 -10.237 -3.811 1.00 0.00 C ATOM 1094 C CYS A 76 -4.495 -9.434 -4.828 1.00 0.00 C ATOM 1095 O CYS A 76 -4.311 -9.886 -5.960 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.832 -11.702 -3.745 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.991 -12.902 -4.480 1.00 0.00 S ATOM 0 H CYS A 76 -7.102 -11.010 -4.507 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.138 -9.827 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.871 -11.787 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.666 -11.970 -2.702 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.149 -12.799 -3.898 1.00 0.00 H new ATOM 1103 N VAL A 77 -4.011 -8.258 -4.445 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.243 -7.382 -5.326 1.00 0.00 C ATOM 1105 C VAL A 77 -1.740 -7.470 -5.048 1.00 0.00 C ATOM 1106 O VAL A 77 -0.961 -6.757 -5.663 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.765 -5.940 -5.241 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.224 -5.830 -5.706 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.619 -5.324 -3.844 1.00 0.00 C ATOM 0 H VAL A 77 -4.141 -7.881 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.385 -7.726 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.132 -5.368 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.553 -4.794 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.302 -6.160 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.855 -6.458 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.007 -4.305 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.180 -5.919 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.566 -5.309 -3.561 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.317 -8.343 -4.135 1.00 0.00 N ATOM 1120 CA LEU A 78 0.070 -8.522 -3.712 1.00 0.00 C ATOM 1121 C LEU A 78 1.043 -8.890 -4.827 1.00 0.00 C ATOM 1122 O LEU A 78 2.247 -8.752 -4.629 1.00 0.00 O ATOM 1123 CB LEU A 78 0.081 -9.473 -2.520 1.00 0.00 C ATOM 1124 CG LEU A 78 -0.108 -10.971 -2.813 1.00 0.00 C ATOM 1125 CD1 LEU A 78 1.157 -11.555 -3.434 1.00 0.00 C ATOM 1126 CD2 LEU A 78 -0.420 -11.721 -1.513 1.00 0.00 C ATOM 0 H LEU A 78 -1.958 -8.971 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 78 0.466 -7.555 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.029 -9.348 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.705 -9.162 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.937 -11.084 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.007 -12.616 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.377 -11.036 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.992 -11.431 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.553 -12.781 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.405 -11.593 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.334 -11.323 -1.074 1.00 0.00 H new ATOM 1138 N GLY A 79 0.531 -9.357 -5.962 1.00 0.00 N ATOM 1139 CA GLY A 79 1.253 -9.578 -7.197 1.00 0.00 C ATOM 1140 C GLY A 79 0.454 -8.982 -8.354 1.00 0.00 C ATOM 1141 O GLY A 79 0.369 -9.611 -9.407 1.00 0.00 O ATOM 0 H GLY A 79 -0.456 -9.603 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.239 -9.117 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.408 -10.645 -7.357 1.00 0.00 H new ATOM 1145 N HIS A 80 -0.231 -7.852 -8.137 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.699 -6.967 -9.199 1.00 0.00 C ATOM 1147 C HIS A 80 0.227 -5.746 -9.260 1.00 0.00 C ATOM 1148 O HIS A 80 0.995 -5.482 -8.339 1.00 0.00 O ATOM 1149 CB HIS A 80 -2.155 -6.538 -8.935 1.00 0.00 C ATOM 1150 CG HIS A 80 -3.223 -7.485 -9.440 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -4.511 -7.150 -9.800 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -3.080 -8.821 -9.693 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -5.117 -8.259 -10.253 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -4.295 -9.320 -10.178 1.00 0.00 N ATOM 0 H HIS A 80 -0.477 -7.526 -7.202 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.676 -7.488 -10.156 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.287 -6.411 -7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.315 -5.562 -9.393 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.930 -6.222 -9.734 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.178 -9.397 -9.543 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.129 -8.294 -10.628 1.00 0.00 H new ATOM 1162 N THR A 81 0.138 -4.981 -10.345 1.00 0.00 N ATOM 1163 CA THR A 81 0.924 -3.774 -10.556 1.00 0.00 C ATOM 1164 C THR A 81 0.178 -2.566 -9.970 1.00 0.00 C ATOM 1165 O THR A 81 -1.047 -2.579 -9.797 1.00 0.00 O ATOM 1166 CB THR A 81 1.278 -3.637 -12.058 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.543 -2.308 -12.441 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.186 -4.146 -12.996 1.00 0.00 C ATOM 0 H THR A 81 -0.496 -5.189 -11.116 1.00 0.00 H new ATOM 0 HA THR A 81 1.876 -3.829 -10.027 1.00 0.00 H new ATOM 0 HB THR A 81 2.171 -4.254 -12.156 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.071 -2.108 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.506 -4.017 -14.030 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.003 -5.203 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.731 -3.582 -12.827 1.00 0.00 H new ATOM 1176 N HIS A 82 0.923 -1.479 -9.747 1.00 0.00 N ATOM 1177 CA HIS A 82 0.411 -0.152 -9.442 1.00 0.00 C ATOM 1178 C HIS A 82 -0.467 0.399 -10.576 1.00 0.00 C ATOM 1179 O HIS A 82 -1.221 1.340 -10.343 1.00 0.00 O ATOM 1180 CB HIS A 82 1.604 0.768 -9.114 1.00 0.00 C ATOM 1181 CG HIS A 82 1.253 1.984 -8.292 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.732 3.263 -8.465 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.431 1.997 -7.197 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.176 4.037 -7.516 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.370 3.310 -6.723 1.00 0.00 N ATOM 0 H HIS A 82 1.942 -1.508 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.245 -0.203 -8.573 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.356 0.189 -8.579 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.060 1.096 -10.048 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.389 3.568 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.079 1.144 -6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.353 5.097 -7.406 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.454 -0.175 -11.784 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.458 0.128 -12.800 1.00 0.00 C ATOM 1195 C ALA A 83 -2.830 -0.350 -12.320 1.00 0.00 C ATOM 1196 O ALA A 83 -3.690 0.490 -12.036 1.00 0.00 O ATOM 1197 CB ALA A 83 -1.065 -0.475 -14.149 1.00 0.00 C ATOM 0 H ALA A 83 0.246 -0.855 -12.079 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.515 1.206 -12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.828 -0.236 -14.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.108 -0.062 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.979 -1.557 -14.053 1.00 0.00 H new ATOM 1203 N ASP A 84 -3.032 -1.667 -12.204 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.306 -2.254 -11.784 1.00 0.00 C ATOM 1205 C ASP A 84 -4.747 -1.699 -10.430 1.00 0.00 C ATOM 1206 O ASP A 84 -5.880 -1.273 -10.264 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.246 -3.792 -11.741 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.666 -4.344 -11.613 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.461 -4.163 -12.567 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.999 -4.961 -10.575 1.00 0.00 O ATOM 0 H ASP A 84 -2.309 -2.360 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.047 -1.974 -12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.773 -4.175 -12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.637 -4.121 -10.899 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.851 -1.614 -9.456 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.165 -1.126 -8.116 1.00 0.00 C ATOM 1217 C VAL A 85 -4.612 0.331 -8.144 1.00 0.00 C ATOM 1218 O VAL A 85 -5.607 0.670 -7.499 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.971 -1.445 -7.198 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -2.886 -0.620 -5.912 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.120 -2.925 -6.857 1.00 0.00 C ATOM 0 H VAL A 85 -2.875 -1.884 -9.573 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.029 -1.640 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.050 -1.193 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.009 -0.926 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.805 0.438 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.783 -0.783 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.304 -3.232 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.071 -3.088 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.091 -3.514 -7.774 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.976 1.201 -8.927 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.501 2.551 -9.072 1.00 0.00 C ATOM 1233 C VAL A 86 -5.859 2.505 -9.786 1.00 0.00 C ATOM 1234 O VAL A 86 -6.754 3.249 -9.379 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.449 3.449 -9.736 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -4.037 4.794 -10.174 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.292 3.696 -8.750 1.00 0.00 C ATOM 0 H VAL A 86 -3.125 1.003 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.698 3.004 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.089 2.936 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.258 5.398 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.840 4.624 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.432 5.319 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.543 4.334 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.675 4.185 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.837 2.744 -8.477 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.076 1.627 -10.779 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.388 1.560 -11.441 1.00 0.00 C ATOM 1249 C LYS A 87 -8.457 1.144 -10.436 1.00 0.00 C ATOM 1250 O LYS A 87 -9.557 1.696 -10.439 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.349 0.695 -12.731 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.901 -0.750 -12.676 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.414 -0.882 -12.907 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.692 -1.134 -14.388 1.00 0.00 C ATOM 1255 NZ LYS A 87 -11.128 -1.369 -14.646 1.00 0.00 N ATOM 0 H LYS A 87 -5.381 0.970 -11.133 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.662 2.554 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.901 1.230 -13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.311 0.640 -13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.382 -1.349 -13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.660 -1.177 -11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.812 -1.701 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.921 0.026 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.353 -0.278 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.117 -1.997 -14.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.275 -1.536 -15.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.446 -2.201 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.675 -0.536 -14.349 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.121 0.216 -9.546 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.973 -0.287 -8.487 1.00 0.00 C ATOM 1271 C LEU A 88 -9.370 0.889 -7.596 1.00 0.00 C ATOM 1272 O LEU A 88 -10.565 1.121 -7.407 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.252 -1.427 -7.735 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.246 -2.773 -8.497 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.205 -3.718 -7.887 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.608 -3.478 -8.466 1.00 0.00 C ATOM 0 H LEU A 88 -7.201 -0.224 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.891 -0.724 -8.879 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.223 -1.126 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.731 -1.571 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.004 -2.539 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.209 -4.663 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.217 -3.264 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.448 -3.901 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.544 -4.417 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.889 -3.681 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.360 -2.837 -8.927 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.416 1.694 -7.123 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.715 2.830 -6.248 1.00 0.00 C ATOM 1290 C PHE A 89 -9.517 3.922 -6.960 1.00 0.00 C ATOM 1291 O PHE A 89 -10.450 4.497 -6.387 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.420 3.438 -5.703 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.745 2.620 -4.625 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.416 2.376 -3.412 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.430 2.155 -4.801 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.752 1.736 -2.357 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.774 1.497 -3.751 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.417 1.333 -2.516 1.00 0.00 C ATOM 0 H PHE A 89 -7.424 1.579 -7.333 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.323 2.442 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.722 3.573 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.639 4.429 -5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.445 2.683 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.926 2.304 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.266 1.553 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.773 1.116 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.884 0.895 -1.685 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.163 4.242 -8.205 1.00 0.00 N ATOM 1309 CA GLN A 90 -9.848 5.283 -8.951 1.00 0.00 C ATOM 1310 C GLN A 90 -11.274 4.861 -9.296 1.00 0.00 C ATOM 1311 O GLN A 90 -12.152 5.727 -9.334 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.056 5.649 -10.208 1.00 0.00 C ATOM 1313 CG GLN A 90 -7.770 6.404 -9.845 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.113 6.978 -11.092 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -6.631 6.247 -11.943 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.065 8.296 -11.226 1.00 0.00 N ATOM 0 H GLN A 90 -8.403 3.790 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.913 6.171 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.807 4.744 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.671 6.265 -10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.000 7.208 -9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.077 5.731 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.471 8.897 -10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.622 8.709 -12.047 1.00 0.00 H new ATOM 1325 N SER A 91 -11.529 3.565 -9.490 1.00 0.00 N ATOM 1326 CA SER A 91 -12.850 3.046 -9.823 1.00 0.00 C ATOM 1327 C SER A 91 -13.862 3.129 -8.673 1.00 0.00 C ATOM 1328 O SER A 91 -15.013 2.763 -8.880 1.00 0.00 O ATOM 1329 CB SER A 91 -12.736 1.625 -10.394 1.00 0.00 C ATOM 1330 OG SER A 91 -12.260 0.671 -9.452 1.00 0.00 O ATOM 0 H SER A 91 -10.814 2.842 -9.419 1.00 0.00 H new ATOM 0 HA SER A 91 -13.258 3.701 -10.593 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.714 1.308 -10.757 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.066 1.640 -11.254 1.00 0.00 H new ATOM 0 HG SER A 91 -11.643 1.107 -8.828 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.471 3.599 -7.483 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.389 3.786 -6.365 1.00 0.00 C ATOM 1338 C VAL A 92 -15.050 5.166 -6.552 1.00 0.00 C ATOM 1339 O VAL A 92 -14.331 6.178 -6.529 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.651 3.645 -5.006 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.658 3.476 -3.854 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.701 2.440 -4.970 1.00 0.00 C ATOM 0 H VAL A 92 -12.507 3.859 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.159 3.015 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.070 4.560 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.119 3.379 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.311 4.348 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.258 2.582 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.213 2.391 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.268 1.524 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.947 2.548 -5.749 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.371 5.265 -6.790 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.092 6.534 -6.765 1.00 0.00 C ATOM 1354 C PRO A 93 -17.388 6.971 -5.316 1.00 0.00 C ATOM 1355 O PRO A 93 -17.026 6.287 -4.355 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.360 6.270 -7.584 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.669 4.812 -7.281 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.281 4.186 -7.152 1.00 0.00 C ATOM 0 HA PRO A 93 -16.520 7.360 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.177 6.926 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.194 6.434 -8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.247 4.704 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.248 4.348 -8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.277 3.404 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.977 3.721 -8.090 1.00 0.00 H new ATOM 1366 N ILE A 94 -18.029 8.130 -5.149 1.00 0.00 N ATOM 1367 CA ILE A 94 -18.433 8.677 -3.852 1.00 0.00 C ATOM 1368 C ILE A 94 -19.432 7.721 -3.193 1.00 0.00 C ATOM 1369 O ILE A 94 -20.161 6.986 -3.870 1.00 0.00 O ATOM 1370 CB ILE A 94 -18.979 10.119 -4.032 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -17.811 11.013 -4.502 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -19.604 10.703 -2.748 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -18.174 12.473 -4.754 1.00 0.00 C ATOM 0 H ILE A 94 -18.288 8.729 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 94 -17.578 8.758 -3.181 1.00 0.00 H new ATOM 0 HB ILE A 94 -19.782 10.086 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -17.021 10.976 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -17.399 10.593 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -19.965 11.712 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -20.437 10.075 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -18.852 10.734 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -17.288 13.017 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -18.939 12.529 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -18.555 12.917 -3.834 1.00 0.00 H new ATOM 1385 N GLY A 95 -19.456 7.734 -1.860 1.00 0.00 N ATOM 1386 CA GLY A 95 -20.361 6.937 -1.050 1.00 0.00 C ATOM 1387 C GLY A 95 -19.811 5.545 -0.786 1.00 0.00 C ATOM 1388 O GLY A 95 -20.139 4.940 0.237 1.00 0.00 O ATOM 0 H GLY A 95 -18.828 8.316 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.539 7.443 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.324 6.857 -1.554 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.948 5.029 -1.658 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.543 3.640 -1.547 1.00 0.00 C ATOM 1394 C GLN A 96 -17.403 3.528 -0.550 1.00 0.00 C ATOM 1395 O GLN A 96 -16.522 4.388 -0.484 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.131 3.096 -2.919 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.227 3.163 -3.994 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.449 2.285 -3.731 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -20.725 1.846 -2.621 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.248 2.039 -4.747 1.00 0.00 N ATOM 0 H GLN A 96 -18.526 5.543 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.381 3.042 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.263 3.654 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -17.818 2.058 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.557 4.198 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -18.793 2.876 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.022 2.402 -5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.093 1.485 -4.609 1.00 0.00 H new ATOM 1409 N SER A 97 -17.427 2.454 0.225 1.00 0.00 N ATOM 1410 CA SER A 97 -16.396 2.062 1.148 1.00 0.00 C ATOM 1411 C SER A 97 -15.728 0.807 0.610 1.00 0.00 C ATOM 1412 O SER A 97 -16.349 0.036 -0.128 1.00 0.00 O ATOM 1413 CB SER A 97 -16.969 1.921 2.573 1.00 0.00 C ATOM 1414 OG SER A 97 -18.379 2.113 2.671 1.00 0.00 O ATOM 0 H SER A 97 -18.213 1.804 0.219 1.00 0.00 H new ATOM 0 HA SER A 97 -15.625 2.828 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.724 0.929 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.472 2.642 3.223 1.00 0.00 H new ATOM 0 HG SER A 97 -18.660 2.005 3.604 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.449 0.639 0.933 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.641 -0.481 0.484 1.00 0.00 C ATOM 1422 C VAL A 98 -12.745 -0.889 1.649 1.00 0.00 C ATOM 1423 O VAL A 98 -12.262 -0.027 2.391 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.846 -0.107 -0.790 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.776 0.231 -1.964 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.902 1.089 -0.606 1.00 0.00 C ATOM 0 H VAL A 98 -13.939 1.293 1.526 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.262 -1.331 0.199 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.253 -0.997 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.179 0.488 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.402 -0.632 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.409 1.077 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.381 1.289 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.479 1.967 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.174 0.861 0.173 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.550 -2.194 1.819 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.616 -2.765 2.779 1.00 0.00 C ATOM 1438 C ASN A 99 -10.239 -2.791 2.143 1.00 0.00 C ATOM 1439 O ASN A 99 -10.104 -2.829 0.917 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.012 -4.196 3.210 1.00 0.00 C ATOM 1441 CG ASN A 99 -12.755 -4.236 4.535 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -12.561 -3.394 5.411 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.607 -5.220 4.745 1.00 0.00 N ATOM 0 H ASN A 99 -13.051 -2.899 1.278 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.627 -2.147 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.637 -4.642 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.113 -4.808 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.105 -5.283 5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.768 -5.918 4.019 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.214 -2.801 2.984 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.808 -2.860 2.611 1.00 0.00 C ATOM 1452 C LEU A 100 -7.148 -3.747 3.666 1.00 0.00 C ATOM 1453 O LEU A 100 -7.625 -3.756 4.801 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.229 -1.428 2.633 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.929 -0.435 1.672 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.631 1.000 2.086 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.575 -0.646 0.202 1.00 0.00 C ATOM 0 H LEU A 100 -9.347 -2.766 3.995 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.643 -3.263 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.296 -1.039 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.170 -1.474 2.379 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.997 -0.633 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.129 1.687 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.995 1.169 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.555 1.172 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.103 0.086 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.500 -0.525 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.868 -1.651 -0.102 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.081 -4.475 3.327 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.336 -5.304 4.280 1.00 0.00 C ATOM 1471 C VAL A 101 -3.865 -4.984 4.098 1.00 0.00 C ATOM 1472 O VAL A 101 -3.379 -5.083 2.964 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.559 -6.809 4.040 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -5.009 -7.666 5.191 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -7.039 -7.181 3.835 1.00 0.00 C ATOM 0 H VAL A 101 -5.707 -4.507 2.379 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.682 -5.085 5.290 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.013 -7.021 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.189 -8.720 4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.937 -7.494 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.510 -7.393 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.125 -8.255 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.610 -6.902 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.431 -6.649 2.968 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.175 -4.627 5.186 1.00 0.00 N ATOM 1486 CA LEU A 102 -1.738 -4.374 5.178 1.00 0.00 C ATOM 1487 C LEU A 102 -1.021 -5.343 6.134 1.00 0.00 C ATOM 1488 O LEU A 102 -1.678 -6.056 6.899 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.382 -2.887 5.446 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.181 -1.793 4.704 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.619 -0.382 4.905 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.163 -1.954 3.195 1.00 0.00 C ATOM 0 H LEU A 102 -3.606 -4.506 6.103 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.373 -4.569 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.489 -2.708 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.328 -2.750 5.204 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.177 -1.912 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.230 0.335 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.633 -0.132 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.594 -0.343 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.743 -1.153 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.135 -1.908 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.599 -2.916 2.927 1.00 0.00 H new ATOM 1504 N CYS A 103 0.317 -5.394 6.089 1.00 0.00 N ATOM 1505 CA CYS A 103 1.138 -6.219 6.994 1.00 0.00 C ATOM 1506 C CYS A 103 2.316 -5.416 7.562 1.00 0.00 C ATOM 1507 O CYS A 103 3.218 -4.993 6.831 1.00 0.00 O ATOM 1508 CB CYS A 103 1.653 -7.440 6.222 1.00 0.00 C ATOM 1509 SG CYS A 103 2.690 -8.488 7.293 1.00 0.00 S ATOM 0 H CYS A 103 0.868 -4.859 5.418 1.00 0.00 H new ATOM 0 HA CYS A 103 0.523 -6.541 7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.811 -8.019 5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.229 -7.113 5.357 1.00 0.00 H new ATOM 0 HG CYS A 103 2.094 -9.625 7.496 1.00 0.00 H new ATOM 1515 N ARG A 104 2.357 -5.235 8.880 1.00 0.00 N ATOM 1516 CA ARG A 104 3.213 -4.258 9.538 1.00 0.00 C ATOM 1517 C ARG A 104 4.593 -4.843 9.779 1.00 0.00 C ATOM 1518 O ARG A 104 4.697 -5.997 10.206 1.00 0.00 O ATOM 1519 CB ARG A 104 2.554 -3.837 10.857 1.00 0.00 C ATOM 1520 CG ARG A 104 3.079 -2.475 11.357 1.00 0.00 C ATOM 1521 CD ARG A 104 1.968 -1.584 11.919 1.00 0.00 C ATOM 1522 NE ARG A 104 1.083 -1.068 10.857 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.222 -0.800 10.984 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.899 -1.152 12.075 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.847 -0.198 9.988 1.00 0.00 N ATOM 0 H ARG A 104 1.785 -5.774 9.530 1.00 0.00 H new ATOM 0 HA ARG A 104 3.335 -3.381 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.474 -3.781 10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.741 -4.598 11.615 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.831 -2.641 12.128 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.574 -1.957 10.535 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.378 -2.151 12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.412 -0.748 12.459 1.00 0.00 H new ATOM 0 HE ARG A 104 1.504 -0.900 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.423 -1.636 12.836 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.893 -0.937 12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.335 0.054 9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.842 0.015 10.065 1.00 0.00 H new ATOM 1539 N GLY A 105 5.644 -4.048 9.570 1.00 0.00 N ATOM 1540 CA GLY A 105 7.028 -4.442 9.824 1.00 0.00 C ATOM 1541 C GLY A 105 7.904 -4.441 8.571 1.00 0.00 C ATOM 1542 O GLY A 105 9.108 -4.669 8.683 1.00 0.00 O ATOM 0 H GLY A 105 5.554 -3.097 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.461 -3.765 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.038 -5.439 10.264 1.00 0.00 H new ATOM 1546 N TYR A 106 7.347 -4.192 7.382 1.00 0.00 N ATOM 1547 CA TYR A 106 8.124 -3.829 6.201 1.00 0.00 C ATOM 1548 C TYR A 106 8.275 -2.310 6.199 1.00 0.00 C ATOM 1549 O TYR A 106 7.249 -1.635 6.153 1.00 0.00 O ATOM 1550 CB TYR A 106 7.440 -4.329 4.923 1.00 0.00 C ATOM 1551 CG TYR A 106 7.572 -5.831 4.783 1.00 0.00 C ATOM 1552 CD1 TYR A 106 8.809 -6.388 4.409 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.509 -6.671 5.156 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.010 -7.776 4.480 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.704 -8.060 5.233 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.963 -8.612 4.925 1.00 0.00 C ATOM 1557 OH TYR A 106 8.197 -9.928 5.164 1.00 0.00 O ATOM 0 H TYR A 106 6.342 -4.238 7.215 1.00 0.00 H new ATOM 0 HA TYR A 106 9.107 -4.299 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.385 -4.054 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.883 -3.840 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.607 -5.746 4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.542 -6.248 5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.961 -8.202 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.889 -8.704 5.528 1.00 0.00 H new ATOM 0 HH TYR A 106 7.369 -10.358 5.465 1.00 0.00 H new ATOM 1567 N PRO A 107 9.502 -1.762 6.280 1.00 0.00 N ATOM 1568 CA PRO A 107 9.718 -0.322 6.297 1.00 0.00 C ATOM 1569 C PRO A 107 9.344 0.320 4.966 1.00 0.00 C ATOM 1570 O PRO A 107 9.005 -0.359 3.993 1.00 0.00 O ATOM 1571 CB PRO A 107 11.204 -0.126 6.608 1.00 0.00 C ATOM 1572 CG PRO A 107 11.842 -1.401 6.060 1.00 0.00 C ATOM 1573 CD PRO A 107 10.776 -2.462 6.308 1.00 0.00 C ATOM 0 HA PRO A 107 9.086 0.159 7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 107 11.603 0.765 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.381 -0.014 7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.079 -1.309 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 107 12.773 -1.638 6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.812 -3.238 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 107 10.930 -2.954 7.269 1.00 0.00 H new ATOM 1581 N LEU A 108 9.460 1.645 4.923 1.00 0.00 N ATOM 1582 CA LEU A 108 9.289 2.425 3.704 1.00 0.00 C ATOM 1583 C LEU A 108 10.214 1.907 2.598 1.00 0.00 C ATOM 1584 O LEU A 108 11.331 1.467 2.888 1.00 0.00 O ATOM 1585 CB LEU A 108 9.631 3.899 3.970 1.00 0.00 C ATOM 1586 CG LEU A 108 8.440 4.747 4.437 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.942 6.016 5.111 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.538 5.111 3.256 1.00 0.00 C ATOM 0 H LEU A 108 9.678 2.211 5.743 1.00 0.00 H new ATOM 0 HA LEU A 108 8.250 2.330 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.416 3.948 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.038 4.336 3.058 1.00 0.00 H new ATOM 0 HG LEU A 108 7.859 4.162 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.092 6.614 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.556 5.752 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.538 6.592 4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.700 5.712 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.110 5.681 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.160 4.200 2.792 1.00 0.00 H new ATOM 1600 N PRO A 109 9.809 2.017 1.325 1.00 0.00 N ATOM 1601 CA PRO A 109 10.696 1.810 0.204 1.00 0.00 C ATOM 1602 C PRO A 109 11.697 2.959 0.199 1.00 0.00 C ATOM 1603 O PRO A 109 11.322 4.140 0.229 1.00 0.00 O ATOM 1604 CB PRO A 109 9.811 1.790 -1.041 1.00 0.00 C ATOM 1605 CG PRO A 109 8.603 2.630 -0.652 1.00 0.00 C ATOM 1606 CD PRO A 109 8.523 2.505 0.868 1.00 0.00 C ATOM 0 HA PRO A 109 11.261 0.879 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.328 2.210 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.521 0.774 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.727 3.669 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.694 2.263 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.294 3.469 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.726 1.819 1.156 1.00 0.00 H new