USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 17 SER OG : rot -60:sc= 0.625 USER MOD Set 1.2: A 20 THR OG1 : rot -65:sc= 1.73 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.505 K(o=0.5,f=0) USER MOD Single : A 30 SER OG : rot 88:sc= 1.24 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 38:sc= 0.0434 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 77:sc= 0.905 USER MOD Single : A 59 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 MET CE :methyl 166:sc= -0.101 (180deg=-0.428) USER MOD Single : A 64 GLN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 70 MET CE :methyl 172:sc= 0 (180deg=-0.182) USER MOD Single : A 71 ASN : amide:sc= 0.197 X(o=0.2,f=0.019) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.413 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.733 0.504 -10.766 1.00 0.00 N ATOM 101 CA TYR A 9 7.838 -0.139 -9.449 1.00 0.00 C ATOM 102 C TYR A 9 6.614 0.199 -8.565 1.00 0.00 C ATOM 103 O TYR A 9 6.703 1.071 -7.701 1.00 0.00 O ATOM 104 CB TYR A 9 9.169 0.262 -8.768 1.00 0.00 C ATOM 105 CG TYR A 9 10.455 0.186 -9.584 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.794 -0.973 -10.311 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.340 1.284 -9.584 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.993 -1.025 -11.053 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.540 1.235 -10.320 1.00 0.00 C ATOM 110 CZ TYR A 9 12.870 0.082 -11.061 1.00 0.00 C ATOM 111 OH TYR A 9 14.025 0.059 -11.780 1.00 0.00 O ATOM 0 HA TYR A 9 7.841 -1.220 -9.585 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.063 1.286 -8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.296 -0.371 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.132 -1.826 -10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.096 2.169 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.241 -1.913 -11.616 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.209 2.083 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 9 14.499 0.909 -11.665 1.00 0.00 H new ATOM 121 N ARG A 10 5.472 -0.489 -8.748 1.00 0.00 N ATOM 122 CA ARG A 10 4.237 -0.284 -7.950 1.00 0.00 C ATOM 123 C ARG A 10 3.568 -1.581 -7.450 1.00 0.00 C ATOM 124 O ARG A 10 3.537 -2.594 -8.156 1.00 0.00 O ATOM 125 CB ARG A 10 3.257 0.639 -8.702 1.00 0.00 C ATOM 126 CG ARG A 10 2.536 -0.024 -9.890 1.00 0.00 C ATOM 127 CD ARG A 10 1.687 0.969 -10.697 1.00 0.00 C ATOM 128 NE ARG A 10 0.632 1.615 -9.893 1.00 0.00 N ATOM 129 CZ ARG A 10 0.524 2.882 -9.524 1.00 0.00 C ATOM 130 NH1 ARG A 10 1.422 3.790 -9.765 1.00 0.00 N ATOM 131 NH2 ARG A 10 -0.541 3.253 -8.884 1.00 0.00 N ATOM 0 H ARG A 10 5.374 -1.212 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 10 4.548 0.214 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.509 1.004 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.804 1.509 -9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.274 -0.483 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.897 -0.826 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.337 1.737 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.228 0.447 -11.536 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.118 1.000 -9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.275 3.543 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.274 4.749 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.273 2.574 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.647 4.224 -8.589 1.00 0.00 H new ATOM 145 N CYS A 11 2.984 -1.544 -6.249 1.00 0.00 N ATOM 146 CA CYS A 11 2.332 -2.680 -5.576 1.00 0.00 C ATOM 147 C CYS A 11 0.975 -2.323 -4.933 1.00 0.00 C ATOM 148 O CYS A 11 0.688 -1.157 -4.667 1.00 0.00 O ATOM 149 CB CYS A 11 3.317 -3.332 -4.588 1.00 0.00 C ATOM 150 SG CYS A 11 3.359 -2.479 -2.984 1.00 0.00 S ATOM 0 H CYS A 11 2.949 -0.689 -5.693 1.00 0.00 H new ATOM 0 HA CYS A 11 2.074 -3.415 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.037 -4.374 -4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.317 -3.331 -5.023 1.00 0.00 H new ATOM 0 HG CYS A 11 4.204 -3.076 -2.197 1.00 0.00 H new ATOM 156 N PHE A 12 0.135 -3.334 -4.706 1.00 0.00 N ATOM 157 CA PHE A 12 -1.151 -3.280 -3.996 1.00 0.00 C ATOM 158 C PHE A 12 -0.990 -3.592 -2.498 1.00 0.00 C ATOM 159 O PHE A 12 -0.108 -4.364 -2.112 1.00 0.00 O ATOM 160 CB PHE A 12 -2.103 -4.282 -4.668 1.00 0.00 C ATOM 161 CG PHE A 12 -3.426 -4.516 -3.961 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.519 -3.660 -4.194 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.570 -5.606 -3.079 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.755 -3.908 -3.571 1.00 0.00 C ATOM 165 CE2 PHE A 12 -4.801 -5.840 -2.440 1.00 0.00 C ATOM 166 CZ PHE A 12 -5.896 -4.996 -2.692 1.00 0.00 C ATOM 0 H PHE A 12 0.346 -4.277 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.559 -2.271 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.310 -3.934 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.588 -5.238 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.408 -2.811 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.733 -6.263 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.597 -3.262 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.905 -6.669 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.845 -5.183 -2.211 1.00 0.00 H new ATOM 176 N VAL A 13 -1.863 -3.010 -1.667 1.00 0.00 N ATOM 177 CA VAL A 13 -1.931 -3.210 -0.211 1.00 0.00 C ATOM 178 C VAL A 13 -3.388 -3.220 0.261 1.00 0.00 C ATOM 179 O VAL A 13 -4.094 -2.224 0.109 1.00 0.00 O ATOM 180 CB VAL A 13 -1.141 -2.127 0.563 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.333 -2.512 0.691 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.217 -0.717 -0.045 1.00 0.00 C ATOM 0 H VAL A 13 -2.572 -2.359 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.471 -4.175 0.000 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.627 -2.086 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.866 -1.735 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.417 -3.457 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.769 -2.619 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.634 -0.026 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.815 -0.735 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.256 -0.388 -0.073 1.00 0.00 H new ATOM 192 N GLY A 14 -3.838 -4.316 0.876 1.00 0.00 N ATOM 193 CA GLY A 14 -5.133 -4.378 1.569 1.00 0.00 C ATOM 194 C GLY A 14 -4.956 -4.298 3.087 1.00 0.00 C ATOM 195 O GLY A 14 -4.246 -5.133 3.644 1.00 0.00 O ATOM 0 H GLY A 14 -3.314 -5.191 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.768 -3.559 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.643 -5.305 1.309 1.00 0.00 H new ATOM 199 N SER A 15 -5.580 -3.310 3.747 1.00 0.00 N ATOM 200 CA SER A 15 -5.558 -3.128 5.219 1.00 0.00 C ATOM 201 C SER A 15 -6.402 -1.949 5.722 1.00 0.00 C ATOM 202 O SER A 15 -6.929 -2.016 6.833 1.00 0.00 O ATOM 203 CB SER A 15 -4.133 -2.865 5.742 1.00 0.00 C ATOM 204 OG SER A 15 -3.503 -1.807 5.038 1.00 0.00 O ATOM 0 H SER A 15 -6.128 -2.596 3.267 1.00 0.00 H new ATOM 0 HA SER A 15 -5.971 -4.065 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.174 -2.622 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.537 -3.772 5.646 1.00 0.00 H new ATOM 0 HG SER A 15 -2.602 -1.666 5.397 1.00 0.00 H new ATOM 210 N LEU A 16 -6.505 -0.858 4.951 1.00 0.00 N ATOM 211 CA LEU A 16 -6.996 0.447 5.423 1.00 0.00 C ATOM 212 C LEU A 16 -8.405 0.397 6.051 1.00 0.00 C ATOM 213 O LEU A 16 -9.255 -0.419 5.683 1.00 0.00 O ATOM 214 CB LEU A 16 -6.971 1.488 4.283 1.00 0.00 C ATOM 215 CG LEU A 16 -5.665 1.674 3.497 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.939 2.752 2.454 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.486 2.126 4.345 1.00 0.00 C ATOM 0 H LEU A 16 -6.245 -0.856 3.965 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.311 0.745 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.752 1.221 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.244 2.454 4.708 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.386 0.708 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.039 2.925 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.746 2.426 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.228 3.677 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.604 2.233 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.718 3.084 4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.290 1.385 5.120 1.00 0.00 H new ATOM 229 N SER A 17 -8.656 1.319 6.976 1.00 0.00 N ATOM 230 CA SER A 17 -9.898 1.481 7.754 1.00 0.00 C ATOM 231 C SER A 17 -10.387 2.937 7.718 1.00 0.00 C ATOM 232 O SER A 17 -9.726 3.798 7.129 1.00 0.00 O ATOM 233 CB SER A 17 -9.670 1.011 9.200 1.00 0.00 C ATOM 234 OG SER A 17 -8.950 1.991 9.922 1.00 0.00 O ATOM 0 H SER A 17 -7.959 2.021 7.224 1.00 0.00 H new ATOM 0 HA SER A 17 -10.676 0.865 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.628 0.822 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.120 0.070 9.202 1.00 0.00 H new ATOM 0 HG SER A 17 -8.080 2.139 9.495 1.00 0.00 H new ATOM 240 N TRP A 18 -11.515 3.246 8.370 1.00 0.00 N ATOM 241 CA TRP A 18 -11.914 4.629 8.704 1.00 0.00 C ATOM 242 C TRP A 18 -10.794 5.485 9.345 1.00 0.00 C ATOM 243 O TRP A 18 -10.816 6.709 9.222 1.00 0.00 O ATOM 244 CB TRP A 18 -13.123 4.583 9.652 1.00 0.00 C ATOM 245 CG TRP A 18 -12.907 3.915 10.986 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.325 4.482 12.070 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.268 2.561 11.404 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.279 3.573 13.111 1.00 0.00 N ATOM 249 CE2 TRP A 18 -12.829 2.364 12.748 1.00 0.00 C ATOM 250 CE3 TRP A 18 -13.928 1.474 10.788 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.001 1.150 13.429 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -14.097 0.245 11.457 1.00 0.00 C ATOM 253 CH2 TRP A 18 -13.627 0.078 12.772 1.00 0.00 C ATOM 0 H TRP A 18 -12.184 2.543 8.685 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.157 5.114 7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.454 5.606 9.832 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.938 4.069 9.141 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.952 5.495 12.115 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -11.887 3.773 14.031 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -14.311 1.587 9.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.656 1.041 14.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -14.591 -0.574 10.956 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.747 -0.870 13.274 1.00 0.00 H new ATOM 264 N ASN A 19 -9.813 4.860 10.010 1.00 0.00 N ATOM 265 CA ASN A 19 -8.685 5.519 10.677 1.00 0.00 C ATOM 266 C ASN A 19 -7.471 5.737 9.750 1.00 0.00 C ATOM 267 O ASN A 19 -6.756 6.736 9.892 1.00 0.00 O ATOM 268 CB ASN A 19 -8.311 4.646 11.890 1.00 0.00 C ATOM 269 CG ASN A 19 -7.263 5.283 12.776 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.580 6.131 13.600 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.005 4.934 12.636 1.00 0.00 N ATOM 0 H ASN A 19 -9.783 3.844 10.101 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.984 6.521 10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.207 4.450 12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.944 3.682 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.287 5.370 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.745 4.227 11.948 1.00 0.00 H new ATOM 278 N THR A 20 -7.226 4.815 8.814 1.00 0.00 N ATOM 279 CA THR A 20 -6.000 4.753 7.997 1.00 0.00 C ATOM 280 C THR A 20 -6.082 5.562 6.701 1.00 0.00 C ATOM 281 O THR A 20 -7.151 5.696 6.097 1.00 0.00 O ATOM 282 CB THR A 20 -5.623 3.306 7.616 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.234 2.340 8.439 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.115 3.072 7.685 1.00 0.00 C ATOM 0 H THR A 20 -7.888 4.071 8.594 1.00 0.00 H new ATOM 0 HA THR A 20 -5.237 5.190 8.640 1.00 0.00 H new ATOM 0 HB THR A 20 -5.983 3.191 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.894 2.427 9.354 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.894 2.041 7.409 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.610 3.748 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.764 3.260 8.700 1.00 0.00 H new ATOM 292 N ASP A 21 -4.929 6.011 6.203 1.00 0.00 N ATOM 293 CA ASP A 21 -4.755 6.530 4.846 1.00 0.00 C ATOM 294 C ASP A 21 -3.398 6.112 4.230 1.00 0.00 C ATOM 295 O ASP A 21 -2.631 5.347 4.820 1.00 0.00 O ATOM 296 CB ASP A 21 -4.832 8.076 4.860 1.00 0.00 C ATOM 297 CG ASP A 21 -6.137 8.681 5.364 1.00 0.00 C ATOM 298 OD1 ASP A 21 -7.052 8.898 4.534 1.00 0.00 O ATOM 299 OD2 ASP A 21 -6.225 9.029 6.564 1.00 0.00 O ATOM 0 H ASP A 21 -4.067 6.024 6.748 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.555 6.108 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.018 8.454 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.656 8.437 3.847 1.00 0.00 H new ATOM 304 N ASP A 22 -3.066 6.668 3.056 1.00 0.00 N ATOM 305 CA ASP A 22 -1.761 6.518 2.402 1.00 0.00 C ATOM 306 C ASP A 22 -0.584 6.874 3.330 1.00 0.00 C ATOM 307 O ASP A 22 0.462 6.237 3.267 1.00 0.00 O ATOM 308 CB ASP A 22 -1.681 7.396 1.129 1.00 0.00 C ATOM 309 CG ASP A 22 -1.809 8.902 1.399 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.863 9.335 1.923 1.00 0.00 O ATOM 311 OD2 ASP A 22 -0.848 9.659 1.122 1.00 0.00 O ATOM 0 H ASP A 22 -3.714 7.248 2.523 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.675 5.464 2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.731 7.207 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.470 7.093 0.441 1.00 0.00 H new ATOM 316 N ARG A 23 -0.758 7.868 4.211 1.00 0.00 N ATOM 317 CA ARG A 23 0.309 8.468 5.027 1.00 0.00 C ATOM 318 C ARG A 23 0.862 7.538 6.110 1.00 0.00 C ATOM 319 O ARG A 23 2.077 7.477 6.298 1.00 0.00 O ATOM 320 CB ARG A 23 -0.241 9.780 5.601 1.00 0.00 C ATOM 321 CG ARG A 23 0.817 10.665 6.269 1.00 0.00 C ATOM 322 CD ARG A 23 0.159 11.983 6.692 1.00 0.00 C ATOM 323 NE ARG A 23 1.089 12.832 7.453 1.00 0.00 N ATOM 324 CZ ARG A 23 0.775 13.615 8.470 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.442 13.786 8.890 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.688 14.264 9.120 1.00 0.00 N ATOM 0 H ARG A 23 -1.671 8.290 4.381 1.00 0.00 H new ATOM 0 HA ARG A 23 1.176 8.660 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.716 10.344 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.017 9.548 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.240 10.159 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.639 10.857 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.184 12.520 5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.722 11.773 7.298 1.00 0.00 H new ATOM 0 HE ARG A 23 2.068 12.814 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.213 13.303 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.627 14.403 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.667 14.175 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.428 14.864 9.903 1.00 0.00 H new ATOM 340 N GLY A 24 0.004 6.774 6.791 1.00 0.00 N ATOM 341 CA GLY A 24 0.450 5.788 7.781 1.00 0.00 C ATOM 342 C GLY A 24 1.177 4.598 7.149 1.00 0.00 C ATOM 343 O GLY A 24 2.089 4.039 7.766 1.00 0.00 O ATOM 0 H GLY A 24 -1.008 6.819 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.113 6.274 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.413 5.425 8.340 1.00 0.00 H new ATOM 347 N LEU A 25 0.842 4.256 5.898 1.00 0.00 N ATOM 348 CA LEU A 25 1.604 3.279 5.114 1.00 0.00 C ATOM 349 C LEU A 25 2.897 3.887 4.546 1.00 0.00 C ATOM 350 O LEU A 25 3.928 3.224 4.583 1.00 0.00 O ATOM 351 CB LEU A 25 0.718 2.659 4.018 1.00 0.00 C ATOM 352 CG LEU A 25 -0.136 1.477 4.519 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.173 1.861 5.575 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.847 0.825 3.338 1.00 0.00 C ATOM 0 H LEU A 25 0.040 4.647 5.404 1.00 0.00 H new ATOM 0 HA LEU A 25 1.914 2.475 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.060 3.428 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.351 2.319 3.198 1.00 0.00 H new ATOM 0 HG LEU A 25 0.556 0.785 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.732 0.975 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.668 2.283 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.859 2.599 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.450 -0.010 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.491 1.557 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.108 0.461 2.624 1.00 0.00 H new ATOM 366 N GLU A 26 2.894 5.146 4.100 1.00 0.00 N ATOM 367 CA GLU A 26 4.093 5.843 3.612 1.00 0.00 C ATOM 368 C GLU A 26 5.220 5.804 4.655 1.00 0.00 C ATOM 369 O GLU A 26 6.357 5.484 4.305 1.00 0.00 O ATOM 370 CB GLU A 26 3.753 7.294 3.217 1.00 0.00 C ATOM 371 CG GLU A 26 4.929 7.999 2.524 1.00 0.00 C ATOM 372 CD GLU A 26 4.636 9.478 2.246 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.809 9.798 1.360 1.00 0.00 O ATOM 374 OE2 GLU A 26 5.266 10.354 2.884 1.00 0.00 O ATOM 0 H GLU A 26 2.051 5.719 4.066 1.00 0.00 H new ATOM 0 HA GLU A 26 4.449 5.323 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.889 7.295 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.470 7.854 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.818 7.918 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.152 7.492 1.585 1.00 0.00 H new ATOM 381 N ALA A 27 4.917 6.037 5.939 1.00 0.00 N ATOM 382 CA ALA A 27 5.892 5.930 7.012 1.00 0.00 C ATOM 383 C ALA A 27 6.400 4.488 7.218 1.00 0.00 C ATOM 384 O ALA A 27 7.614 4.270 7.278 1.00 0.00 O ATOM 385 CB ALA A 27 5.227 6.506 8.264 1.00 0.00 C ATOM 0 H ALA A 27 3.985 6.305 6.255 1.00 0.00 H new ATOM 0 HA ALA A 27 6.792 6.492 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.920 6.449 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.957 7.547 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.329 5.933 8.496 1.00 0.00 H new ATOM 391 N ALA A 28 5.502 3.496 7.242 1.00 0.00 N ATOM 392 CA ALA A 28 5.859 2.088 7.441 1.00 0.00 C ATOM 393 C ALA A 28 6.675 1.487 6.274 1.00 0.00 C ATOM 394 O ALA A 28 7.506 0.604 6.498 1.00 0.00 O ATOM 395 CB ALA A 28 4.568 1.295 7.692 1.00 0.00 C ATOM 0 H ALA A 28 4.501 3.650 7.123 1.00 0.00 H new ATOM 0 HA ALA A 28 6.520 2.022 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.811 0.243 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.069 1.683 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.906 1.395 6.831 1.00 0.00 H new ATOM 401 N PHE A 29 6.473 1.968 5.042 1.00 0.00 N ATOM 402 CA PHE A 29 7.226 1.551 3.852 1.00 0.00 C ATOM 403 C PHE A 29 8.504 2.376 3.611 1.00 0.00 C ATOM 404 O PHE A 29 9.457 1.858 3.021 1.00 0.00 O ATOM 405 CB PHE A 29 6.304 1.579 2.621 1.00 0.00 C ATOM 406 CG PHE A 29 5.410 0.357 2.444 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.236 0.191 3.205 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.747 -0.615 1.484 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.401 -0.921 2.996 1.00 0.00 C ATOM 410 CE2 PHE A 29 4.912 -1.726 1.268 1.00 0.00 C ATOM 411 CZ PHE A 29 3.737 -1.879 2.023 1.00 0.00 C ATOM 0 H PHE A 29 5.765 2.674 4.839 1.00 0.00 H new ATOM 0 HA PHE A 29 7.569 0.532 4.030 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.672 2.465 2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.921 1.689 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.975 0.923 3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.654 -0.507 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.502 -1.039 3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.174 -2.461 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.093 -2.730 1.856 1.00 0.00 H new ATOM 421 N SER A 30 8.590 3.621 4.103 1.00 0.00 N ATOM 422 CA SER A 30 9.774 4.479 3.895 1.00 0.00 C ATOM 423 C SER A 30 11.070 3.899 4.477 1.00 0.00 C ATOM 424 O SER A 30 12.162 4.254 4.032 1.00 0.00 O ATOM 425 CB SER A 30 9.566 5.867 4.501 1.00 0.00 C ATOM 426 OG SER A 30 8.641 6.603 3.723 1.00 0.00 O ATOM 0 H SER A 30 7.851 4.061 4.651 1.00 0.00 H new ATOM 0 HA SER A 30 9.884 4.539 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.201 5.775 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.517 6.398 4.549 1.00 0.00 H new ATOM 0 HG SER A 30 7.730 6.413 4.031 1.00 0.00 H new ATOM 432 N SER A 31 10.964 2.965 5.427 1.00 0.00 N ATOM 433 CA SER A 31 12.102 2.217 5.970 1.00 0.00 C ATOM 434 C SER A 31 12.852 1.394 4.911 1.00 0.00 C ATOM 435 O SER A 31 14.058 1.185 5.054 1.00 0.00 O ATOM 436 CB SER A 31 11.616 1.304 7.096 1.00 0.00 C ATOM 437 OG SER A 31 11.090 2.091 8.151 1.00 0.00 O ATOM 0 H SER A 31 10.072 2.703 5.847 1.00 0.00 H new ATOM 0 HA SER A 31 12.815 2.949 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.852 0.622 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.439 0.690 7.462 1.00 0.00 H new ATOM 0 HG SER A 31 10.777 1.505 8.872 1.00 0.00 H new ATOM 443 N PHE A 32 12.172 0.963 3.840 1.00 0.00 N ATOM 444 CA PHE A 32 12.751 0.178 2.741 1.00 0.00 C ATOM 445 C PHE A 32 13.275 1.043 1.582 1.00 0.00 C ATOM 446 O PHE A 32 14.179 0.604 0.862 1.00 0.00 O ATOM 447 CB PHE A 32 11.713 -0.841 2.245 1.00 0.00 C ATOM 448 CG PHE A 32 11.328 -1.885 3.279 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.265 -1.646 4.172 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.042 -3.097 3.356 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.924 -2.608 5.139 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.692 -4.064 4.314 1.00 0.00 C ATOM 453 CZ PHE A 32 10.633 -3.821 5.206 1.00 0.00 C ATOM 0 H PHE A 32 11.179 1.155 3.711 1.00 0.00 H new ATOM 0 HA PHE A 32 13.625 -0.342 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.816 -0.307 1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.108 -1.346 1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.710 -0.721 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.861 -3.284 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.117 -2.415 5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.237 -4.995 4.365 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.364 -4.565 5.942 1.00 0.00 H new ATOM 463 N GLY A 33 12.755 2.262 1.396 1.00 0.00 N ATOM 464 CA GLY A 33 13.278 3.205 0.401 1.00 0.00 C ATOM 465 C GLY A 33 12.419 4.452 0.165 1.00 0.00 C ATOM 466 O GLY A 33 11.445 4.719 0.868 1.00 0.00 O ATOM 0 H GLY A 33 11.963 2.621 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.273 3.523 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.395 2.680 -0.547 1.00 0.00 H new ATOM 470 N GLU A 34 12.787 5.217 -0.862 1.00 0.00 N ATOM 471 CA GLU A 34 12.127 6.465 -1.268 1.00 0.00 C ATOM 472 C GLU A 34 10.791 6.194 -1.979 1.00 0.00 C ATOM 473 O GLU A 34 10.775 5.622 -3.076 1.00 0.00 O ATOM 474 CB GLU A 34 13.047 7.246 -2.215 1.00 0.00 C ATOM 475 CG GLU A 34 14.302 7.813 -1.551 1.00 0.00 C ATOM 476 CD GLU A 34 15.308 8.223 -2.627 1.00 0.00 C ATOM 477 OE1 GLU A 34 15.041 9.222 -3.340 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.341 7.522 -2.785 1.00 0.00 O ATOM 0 H GLU A 34 13.580 4.980 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 34 11.925 7.044 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.348 6.591 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.482 8.067 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.043 8.673 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.744 7.068 -0.890 1.00 0.00 H new ATOM 485 N ILE A 35 9.683 6.639 -1.385 1.00 0.00 N ATOM 486 CA ILE A 35 8.343 6.590 -1.983 1.00 0.00 C ATOM 487 C ILE A 35 8.163 7.708 -3.013 1.00 0.00 C ATOM 488 O ILE A 35 8.502 8.868 -2.752 1.00 0.00 O ATOM 489 CB ILE A 35 7.254 6.627 -0.881 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.281 5.359 0.001 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.837 6.829 -1.454 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.208 4.046 -0.788 1.00 0.00 C ATOM 0 H ILE A 35 9.690 7.054 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 35 8.232 5.646 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 35 7.495 7.491 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.194 5.363 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.445 5.398 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.114 6.847 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.795 7.773 -1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.599 6.010 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.232 3.204 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.282 4.017 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.058 3.982 -1.467 1.00 0.00 H new ATOM 504 N LEU A 36 7.588 7.349 -4.164 1.00 0.00 N ATOM 505 CA LEU A 36 7.129 8.282 -5.195 1.00 0.00 C ATOM 506 C LEU A 36 5.637 8.610 -5.053 1.00 0.00 C ATOM 507 O LEU A 36 5.243 9.743 -5.323 1.00 0.00 O ATOM 508 CB LEU A 36 7.404 7.698 -6.594 1.00 0.00 C ATOM 509 CG LEU A 36 8.886 7.484 -6.950 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.977 6.933 -8.372 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.704 8.776 -6.890 1.00 0.00 C ATOM 0 H LEU A 36 7.425 6.373 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 36 7.685 9.211 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.888 6.741 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.963 8.362 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 36 9.296 6.791 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.023 6.777 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.443 5.984 -8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.530 7.644 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.741 8.563 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.294 9.499 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.661 9.188 -5.882 1.00 0.00 H new ATOM 523 N ASP A 37 4.798 7.662 -4.631 1.00 0.00 N ATOM 524 CA ASP A 37 3.343 7.859 -4.503 1.00 0.00 C ATOM 525 C ASP A 37 2.709 6.753 -3.652 1.00 0.00 C ATOM 526 O ASP A 37 3.227 5.634 -3.602 1.00 0.00 O ATOM 527 CB ASP A 37 2.669 7.838 -5.898 1.00 0.00 C ATOM 528 CG ASP A 37 2.406 9.229 -6.482 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.707 10.034 -5.817 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.813 9.490 -7.642 1.00 0.00 O ATOM 0 H ASP A 37 5.106 6.727 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 37 3.189 8.825 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.301 7.279 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.723 7.301 -5.826 1.00 0.00 H new ATOM 535 N ALA A 38 1.538 7.025 -3.074 1.00 0.00 N ATOM 536 CA ALA A 38 0.615 5.989 -2.633 1.00 0.00 C ATOM 537 C ALA A 38 -0.844 6.414 -2.883 1.00 0.00 C ATOM 538 O ALA A 38 -1.183 7.602 -2.837 1.00 0.00 O ATOM 539 CB ALA A 38 0.914 5.647 -1.168 1.00 0.00 C ATOM 0 H ALA A 38 1.206 7.974 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 38 0.756 5.079 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.228 4.872 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.939 5.288 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.788 6.538 -0.553 1.00 0.00 H new ATOM 545 N LYS A 39 -1.727 5.450 -3.165 1.00 0.00 N ATOM 546 CA LYS A 39 -3.168 5.687 -3.352 1.00 0.00 C ATOM 547 C LYS A 39 -3.936 5.253 -2.117 1.00 0.00 C ATOM 548 O LYS A 39 -3.749 4.142 -1.633 1.00 0.00 O ATOM 549 CB LYS A 39 -3.717 5.011 -4.623 1.00 0.00 C ATOM 550 CG LYS A 39 -5.207 5.324 -4.917 1.00 0.00 C ATOM 551 CD LYS A 39 -5.457 6.818 -5.208 1.00 0.00 C ATOM 552 CE LYS A 39 -6.925 7.178 -5.474 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.424 6.638 -6.759 1.00 0.00 N ATOM 0 H LYS A 39 -1.461 4.471 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.309 6.759 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.116 5.325 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.596 3.932 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.536 4.732 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.813 5.018 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.100 7.405 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.862 7.111 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.541 6.795 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.034 8.263 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.419 6.911 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.856 7.022 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.348 5.601 -6.753 1.00 0.00 H new ATOM 567 N ILE A 40 -4.848 6.109 -1.679 1.00 0.00 N ATOM 568 CA ILE A 40 -5.889 5.821 -0.694 1.00 0.00 C ATOM 569 C ILE A 40 -7.249 5.889 -1.390 1.00 0.00 C ATOM 570 O ILE A 40 -7.482 6.813 -2.172 1.00 0.00 O ATOM 571 CB ILE A 40 -5.734 6.794 0.500 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.772 6.587 1.621 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.629 8.281 0.107 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.132 7.288 1.485 1.00 0.00 C ATOM 0 H ILE A 40 -4.887 7.071 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.800 4.816 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.764 6.516 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.956 5.516 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.321 6.913 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.523 8.888 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.760 8.427 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.530 8.580 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.753 7.048 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.982 8.366 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.627 6.948 0.576 1.00 0.00 H new ATOM 586 N ILE A 41 -8.154 4.942 -1.117 1.00 0.00 N ATOM 587 CA ILE A 41 -9.560 5.049 -1.540 1.00 0.00 C ATOM 588 C ILE A 41 -10.553 4.864 -0.373 1.00 0.00 C ATOM 589 O ILE A 41 -10.563 3.858 0.348 1.00 0.00 O ATOM 590 CB ILE A 41 -9.831 4.160 -2.772 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.277 4.300 -3.294 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.444 2.693 -2.514 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.602 5.692 -3.855 1.00 0.00 C ATOM 0 H ILE A 41 -7.939 4.088 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.741 6.073 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.183 4.524 -3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.446 3.556 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.969 4.075 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.650 2.100 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.382 2.633 -2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.025 2.305 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.635 5.712 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.467 6.440 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.935 5.913 -4.688 1.00 0.00 H new ATOM 715 N SER A 49 -15.543 3.014 3.226 1.00 0.00 N ATOM 716 CA SER A 49 -14.102 2.739 3.280 1.00 0.00 C ATOM 717 C SER A 49 -13.779 1.494 2.449 1.00 0.00 C ATOM 718 O SER A 49 -14.042 0.371 2.884 1.00 0.00 O ATOM 719 CB SER A 49 -13.616 2.568 4.725 1.00 0.00 C ATOM 720 OG SER A 49 -13.890 3.717 5.511 1.00 0.00 O ATOM 0 HA SER A 49 -13.575 3.595 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.099 1.699 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.544 2.373 4.727 1.00 0.00 H new ATOM 0 HG SER A 49 -14.761 4.088 5.256 1.00 0.00 H new ATOM 726 N ARG A 50 -13.197 1.676 1.254 1.00 0.00 N ATOM 727 CA ARG A 50 -12.824 0.561 0.357 1.00 0.00 C ATOM 728 C ARG A 50 -11.686 -0.279 0.941 1.00 0.00 C ATOM 729 O ARG A 50 -11.652 -1.492 0.750 1.00 0.00 O ATOM 730 CB ARG A 50 -12.407 1.119 -1.014 1.00 0.00 C ATOM 731 CG ARG A 50 -13.541 1.655 -1.901 1.00 0.00 C ATOM 732 CD ARG A 50 -14.389 0.545 -2.530 1.00 0.00 C ATOM 733 NE ARG A 50 -15.434 0.049 -1.620 1.00 0.00 N ATOM 734 CZ ARG A 50 -16.635 0.557 -1.429 1.00 0.00 C ATOM 735 NH1 ARG A 50 -17.089 1.603 -2.049 1.00 0.00 N ATOM 736 NH2 ARG A 50 -17.429 -0.004 -0.576 1.00 0.00 N ATOM 0 H ARG A 50 -12.970 2.597 0.879 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.694 -0.087 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.689 1.923 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.887 0.332 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.185 2.302 -1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.115 2.271 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.854 0.920 -3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.741 -0.283 -2.820 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.203 -0.782 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.505 2.084 -2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.030 1.944 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.123 -0.829 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.361 0.379 -0.419 1.00 0.00 H new ATOM 750 N GLY A 51 -10.802 0.361 1.706 1.00 0.00 N ATOM 751 CA GLY A 51 -9.883 -0.302 2.633 1.00 0.00 C ATOM 752 C GLY A 51 -8.651 -0.946 1.992 1.00 0.00 C ATOM 753 O GLY A 51 -8.062 -1.868 2.563 1.00 0.00 O ATOM 0 H GLY A 51 -10.702 1.376 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.548 0.428 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.433 -1.071 3.175 1.00 0.00 H new ATOM 757 N PHE A 52 -8.259 -0.468 0.814 1.00 0.00 N ATOM 758 CA PHE A 52 -7.038 -0.852 0.105 1.00 0.00 C ATOM 759 C PHE A 52 -6.383 0.373 -0.542 1.00 0.00 C ATOM 760 O PHE A 52 -6.979 1.451 -0.627 1.00 0.00 O ATOM 761 CB PHE A 52 -7.322 -1.955 -0.932 1.00 0.00 C ATOM 762 CG PHE A 52 -8.435 -1.662 -1.929 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.187 -0.855 -3.056 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.717 -2.210 -1.738 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.220 -0.582 -3.973 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.749 -1.941 -2.656 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.505 -1.115 -3.767 1.00 0.00 C ATOM 0 H PHE A 52 -8.805 0.227 0.305 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.336 -1.263 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.405 -2.149 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.571 -2.872 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.201 -0.444 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.910 -2.840 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.025 0.038 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.729 -2.369 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.302 -0.890 -4.460 1.00 0.00 H new ATOM 777 N GLY A 53 -5.148 0.193 -0.995 1.00 0.00 N ATOM 778 CA GLY A 53 -4.355 1.215 -1.658 1.00 0.00 C ATOM 779 C GLY A 53 -3.292 0.644 -2.593 1.00 0.00 C ATOM 780 O GLY A 53 -3.112 -0.571 -2.706 1.00 0.00 O ATOM 0 H GLY A 53 -4.658 -0.697 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.018 1.866 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.870 1.835 -0.904 1.00 0.00 H new ATOM 784 N PHE A 54 -2.589 1.548 -3.267 1.00 0.00 N ATOM 785 CA PHE A 54 -1.359 1.258 -4.010 1.00 0.00 C ATOM 786 C PHE A 54 -0.154 1.989 -3.402 1.00 0.00 C ATOM 787 O PHE A 54 -0.335 3.016 -2.754 1.00 0.00 O ATOM 788 CB PHE A 54 -1.555 1.588 -5.495 1.00 0.00 C ATOM 789 CG PHE A 54 -2.674 0.808 -6.163 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.534 -0.579 -6.374 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.832 1.465 -6.621 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.543 -1.301 -7.036 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.842 0.740 -7.280 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.700 -0.642 -7.486 1.00 0.00 C ATOM 0 H PHE A 54 -2.863 2.529 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.141 0.193 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.760 2.654 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.623 1.392 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.648 -1.089 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.945 2.528 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.429 -2.363 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.729 1.248 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.478 -1.197 -7.989 1.00 0.00 H new ATOM 804 N VAL A 55 1.067 1.512 -3.655 1.00 0.00 N ATOM 805 CA VAL A 55 2.341 2.165 -3.285 1.00 0.00 C ATOM 806 C VAL A 55 3.304 2.104 -4.476 1.00 0.00 C ATOM 807 O VAL A 55 3.367 1.074 -5.146 1.00 0.00 O ATOM 808 CB VAL A 55 2.972 1.496 -2.040 1.00 0.00 C ATOM 809 CG1 VAL A 55 4.256 2.207 -1.595 1.00 0.00 C ATOM 810 CG2 VAL A 55 2.022 1.493 -0.833 1.00 0.00 C ATOM 0 H VAL A 55 1.209 0.627 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 55 2.142 3.206 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 55 3.188 0.474 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.665 1.705 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.987 2.179 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.030 3.244 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.512 1.013 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.765 2.519 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.114 0.945 -1.086 1.00 0.00 H new ATOM 820 N SER A 56 4.053 3.179 -4.746 1.00 0.00 N ATOM 821 CA SER A 56 5.059 3.261 -5.820 1.00 0.00 C ATOM 822 C SER A 56 6.429 3.721 -5.300 1.00 0.00 C ATOM 823 O SER A 56 6.540 4.652 -4.496 1.00 0.00 O ATOM 824 CB SER A 56 4.564 4.154 -6.959 1.00 0.00 C ATOM 825 OG SER A 56 5.539 4.292 -7.978 1.00 0.00 O ATOM 0 H SER A 56 3.976 4.043 -4.210 1.00 0.00 H new ATOM 0 HA SER A 56 5.198 2.254 -6.213 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.652 3.732 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.307 5.137 -6.565 1.00 0.00 H new ATOM 0 HG SER A 56 5.189 4.867 -8.690 1.00 0.00 H new ATOM 831 N PHE A 57 7.477 3.051 -5.779 1.00 0.00 N ATOM 832 CA PHE A 57 8.852 3.099 -5.278 1.00 0.00 C ATOM 833 C PHE A 57 9.808 3.749 -6.288 1.00 0.00 C ATOM 834 O PHE A 57 9.567 3.732 -7.495 1.00 0.00 O ATOM 835 CB PHE A 57 9.318 1.667 -4.960 1.00 0.00 C ATOM 836 CG PHE A 57 8.489 0.926 -3.926 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.298 0.278 -4.308 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.920 0.857 -2.587 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.534 -0.418 -3.359 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.165 0.142 -1.640 1.00 0.00 C ATOM 841 CZ PHE A 57 6.970 -0.493 -2.027 1.00 0.00 C ATOM 0 H PHE A 57 7.384 2.421 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 57 8.867 3.712 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.316 1.089 -5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.350 1.708 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.971 0.317 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.831 1.354 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.611 -0.896 -3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.502 0.080 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.388 -1.038 -1.299 1.00 0.00 H new ATOM 851 N SER A 58 10.935 4.267 -5.800 1.00 0.00 N ATOM 852 CA SER A 58 12.017 4.816 -6.628 1.00 0.00 C ATOM 853 C SER A 58 12.966 3.739 -7.174 1.00 0.00 C ATOM 854 O SER A 58 13.566 3.959 -8.228 1.00 0.00 O ATOM 855 CB SER A 58 12.841 5.840 -5.836 1.00 0.00 C ATOM 856 OG SER A 58 12.029 6.872 -5.302 1.00 0.00 O ATOM 0 H SER A 58 11.128 4.319 -4.800 1.00 0.00 H new ATOM 0 HA SER A 58 11.527 5.294 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.366 5.335 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.601 6.275 -6.485 1.00 0.00 H new ATOM 0 HG SER A 58 11.546 6.536 -4.519 1.00 0.00 H new ATOM 862 N ASN A 59 13.117 2.597 -6.482 1.00 0.00 N ATOM 863 CA ASN A 59 14.116 1.559 -6.790 1.00 0.00 C ATOM 864 C ASN A 59 13.556 0.119 -6.702 1.00 0.00 C ATOM 865 O ASN A 59 12.647 -0.181 -5.927 1.00 0.00 O ATOM 866 CB ASN A 59 15.330 1.734 -5.852 1.00 0.00 C ATOM 867 CG ASN A 59 16.027 3.079 -5.996 1.00 0.00 C ATOM 868 OD1 ASN A 59 15.760 4.027 -5.265 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.946 3.204 -6.923 1.00 0.00 N ATOM 0 H ASN A 59 12.536 2.365 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 59 14.418 1.693 -7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.000 1.615 -4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.049 0.939 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.439 4.090 -7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.168 2.415 -7.531 1.00 0.00 H new ATOM 876 N GLU A 60 14.161 -0.790 -7.471 1.00 0.00 N ATOM 877 CA GLU A 60 13.706 -2.167 -7.727 1.00 0.00 C ATOM 878 C GLU A 60 13.782 -3.091 -6.494 1.00 0.00 C ATOM 879 O GLU A 60 12.858 -3.867 -6.244 1.00 0.00 O ATOM 880 CB GLU A 60 14.550 -2.718 -8.895 1.00 0.00 C ATOM 881 CG GLU A 60 14.032 -4.023 -9.516 1.00 0.00 C ATOM 882 CD GLU A 60 14.944 -4.542 -10.644 1.00 0.00 C ATOM 883 OE1 GLU A 60 15.507 -3.723 -11.410 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.070 -5.784 -10.800 1.00 0.00 O ATOM 0 H GLU A 60 15.030 -0.577 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 60 12.646 -2.142 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.602 -1.958 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.568 -2.881 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.951 -4.784 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.029 -3.861 -9.910 1.00 0.00 H new ATOM 891 N GLN A 61 14.851 -3.010 -5.691 1.00 0.00 N ATOM 892 CA GLN A 61 14.979 -3.792 -4.448 1.00 0.00 C ATOM 893 C GLN A 61 13.983 -3.349 -3.365 1.00 0.00 C ATOM 894 O GLN A 61 13.434 -4.191 -2.656 1.00 0.00 O ATOM 895 CB GLN A 61 16.406 -3.665 -3.896 1.00 0.00 C ATOM 896 CG GLN A 61 17.435 -4.493 -4.680 1.00 0.00 C ATOM 897 CD GLN A 61 18.865 -4.241 -4.200 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.200 -3.209 -3.630 1.00 0.00 O ATOM 899 NE2 GLN A 61 19.771 -5.165 -4.399 1.00 0.00 N ATOM 0 H GLN A 61 15.650 -2.404 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 61 14.756 -4.828 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.703 -2.617 -3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.414 -3.981 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.200 -5.553 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.361 -4.251 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.519 -6.033 -4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.729 -5.017 -4.082 1.00 0.00 H new ATOM 908 N ALA A 62 13.718 -2.041 -3.247 1.00 0.00 N ATOM 909 CA ALA A 62 12.863 -1.485 -2.195 1.00 0.00 C ATOM 910 C ALA A 62 11.414 -1.992 -2.296 1.00 0.00 C ATOM 911 O ALA A 62 10.808 -2.331 -1.281 1.00 0.00 O ATOM 912 CB ALA A 62 12.935 0.046 -2.266 1.00 0.00 C ATOM 0 H ALA A 62 14.094 -1.337 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 62 13.227 -1.823 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.303 0.476 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.965 0.369 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.587 0.382 -3.243 1.00 0.00 H new ATOM 918 N MET A 63 10.896 -2.122 -3.523 1.00 0.00 N ATOM 919 CA MET A 63 9.594 -2.736 -3.802 1.00 0.00 C ATOM 920 C MET A 63 9.548 -4.213 -3.367 1.00 0.00 C ATOM 921 O MET A 63 8.574 -4.649 -2.754 1.00 0.00 O ATOM 922 CB MET A 63 9.315 -2.583 -5.308 1.00 0.00 C ATOM 923 CG MET A 63 7.954 -3.147 -5.739 1.00 0.00 C ATOM 924 SD MET A 63 7.547 -2.992 -7.500 1.00 0.00 S ATOM 925 CE MET A 63 8.990 -3.785 -8.261 1.00 0.00 C ATOM 0 H MET A 63 11.377 -1.798 -4.362 1.00 0.00 H new ATOM 0 HA MET A 63 8.820 -2.232 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.362 -1.527 -5.573 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.102 -3.087 -5.868 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.920 -4.203 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.177 -2.646 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 63 8.780 -3.992 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.851 -3.121 -8.187 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.207 -4.719 -7.743 1.00 0.00 H new ATOM 935 N GLN A 64 10.604 -4.983 -3.652 1.00 0.00 N ATOM 936 CA GLN A 64 10.638 -6.430 -3.414 1.00 0.00 C ATOM 937 C GLN A 64 10.809 -6.774 -1.936 1.00 0.00 C ATOM 938 O GLN A 64 10.047 -7.588 -1.414 1.00 0.00 O ATOM 939 CB GLN A 64 11.780 -7.081 -4.204 1.00 0.00 C ATOM 940 CG GLN A 64 11.505 -7.164 -5.709 1.00 0.00 C ATOM 941 CD GLN A 64 12.765 -7.573 -6.460 1.00 0.00 C ATOM 942 OE1 GLN A 64 13.034 -8.746 -6.699 1.00 0.00 O ATOM 943 NE2 GLN A 64 13.594 -6.620 -6.823 1.00 0.00 N ATOM 0 H GLN A 64 11.465 -4.617 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 64 9.676 -6.819 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.696 -6.513 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.954 -8.085 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.710 -7.885 -5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.154 -6.199 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.369 -5.645 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.462 -6.855 -7.304 1.00 0.00 H new ATOM 952 N ASP A 65 11.786 -6.166 -1.255 1.00 0.00 N ATOM 953 CA ASP A 65 12.086 -6.467 0.150 1.00 0.00 C ATOM 954 C ASP A 65 11.023 -5.936 1.115 1.00 0.00 C ATOM 955 O ASP A 65 10.859 -6.507 2.198 1.00 0.00 O ATOM 956 CB ASP A 65 13.482 -5.955 0.525 1.00 0.00 C ATOM 957 CG ASP A 65 14.583 -6.845 -0.051 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.501 -8.086 0.128 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.524 -6.311 -0.688 1.00 0.00 O ATOM 0 H ASP A 65 12.391 -5.452 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 65 12.072 -7.552 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.607 -4.937 0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.576 -5.916 1.610 1.00 0.00 H new ATOM 964 N ALA A 66 10.257 -4.916 0.704 1.00 0.00 N ATOM 965 CA ALA A 66 9.049 -4.511 1.415 1.00 0.00 C ATOM 966 C ALA A 66 8.004 -5.639 1.373 1.00 0.00 C ATOM 967 O ALA A 66 7.685 -6.201 2.414 1.00 0.00 O ATOM 968 CB ALA A 66 8.526 -3.187 0.844 1.00 0.00 C ATOM 0 H ALA A 66 10.460 -4.356 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 66 9.277 -4.336 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.624 -2.891 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.287 -2.415 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.295 -3.313 -0.214 1.00 0.00 H new ATOM 974 N ILE A 67 7.527 -6.038 0.187 1.00 0.00 N ATOM 975 CA ILE A 67 6.591 -7.168 -0.020 1.00 0.00 C ATOM 976 C ILE A 67 7.069 -8.455 0.693 1.00 0.00 C ATOM 977 O ILE A 67 6.294 -9.108 1.399 1.00 0.00 O ATOM 978 CB ILE A 67 6.382 -7.399 -1.541 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.687 -6.183 -2.202 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.578 -8.683 -1.828 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.694 -6.226 -3.737 1.00 0.00 C ATOM 0 H ILE A 67 7.785 -5.575 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 67 5.633 -6.909 0.431 1.00 0.00 H new ATOM 0 HB ILE A 67 7.374 -7.519 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.655 -6.132 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.181 -5.269 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.457 -8.803 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.111 -9.544 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.597 -8.611 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.190 -5.342 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.723 -6.245 -4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.174 -7.121 -4.078 1.00 0.00 H new ATOM 993 N GLU A 68 8.358 -8.784 0.584 1.00 0.00 N ATOM 994 CA GLU A 68 8.970 -9.976 1.192 1.00 0.00 C ATOM 995 C GLU A 68 8.954 -9.960 2.738 1.00 0.00 C ATOM 996 O GLU A 68 8.960 -11.026 3.355 1.00 0.00 O ATOM 997 CB GLU A 68 10.389 -10.112 0.612 1.00 0.00 C ATOM 998 CG GLU A 68 11.067 -11.469 0.835 1.00 0.00 C ATOM 999 CD GLU A 68 12.355 -11.555 0.005 1.00 0.00 C ATOM 1000 OE1 GLU A 68 12.284 -11.656 -1.243 1.00 0.00 O ATOM 1001 OE2 GLU A 68 13.473 -11.466 0.574 1.00 0.00 O ATOM 0 H GLU A 68 9.024 -8.218 0.059 1.00 0.00 H new ATOM 0 HA GLU A 68 8.375 -10.854 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.344 -9.920 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.017 -9.336 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.297 -11.601 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.389 -12.274 0.553 1.00 0.00 H new ATOM 1008 N GLY A 69 8.855 -8.786 3.379 1.00 0.00 N ATOM 1009 CA GLY A 69 8.607 -8.641 4.825 1.00 0.00 C ATOM 1010 C GLY A 69 7.136 -8.384 5.202 1.00 0.00 C ATOM 1011 O GLY A 69 6.674 -8.826 6.252 1.00 0.00 O ATOM 0 H GLY A 69 8.947 -7.891 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.945 -9.546 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.214 -7.819 5.204 1.00 0.00 H new ATOM 1015 N MET A 70 6.375 -7.704 4.342 1.00 0.00 N ATOM 1016 CA MET A 70 5.005 -7.222 4.592 1.00 0.00 C ATOM 1017 C MET A 70 3.963 -8.332 4.732 1.00 0.00 C ATOM 1018 O MET A 70 2.971 -8.142 5.429 1.00 0.00 O ATOM 1019 CB MET A 70 4.599 -6.276 3.447 1.00 0.00 C ATOM 1020 CG MET A 70 5.168 -4.867 3.649 1.00 0.00 C ATOM 1021 SD MET A 70 4.378 -3.921 4.981 1.00 0.00 S ATOM 1022 CE MET A 70 5.589 -2.582 5.159 1.00 0.00 C ATOM 0 H MET A 70 6.707 -7.461 3.409 1.00 0.00 H new ATOM 0 HA MET A 70 5.023 -6.709 5.553 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.953 -6.679 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.512 -6.224 3.385 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.234 -4.946 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.068 -4.311 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.197 -1.825 5.838 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.519 -2.984 5.561 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.779 -2.132 4.185 1.00 0.00 H new ATOM 1032 N ASN A 71 4.169 -9.485 4.093 1.00 0.00 N ATOM 1033 CA ASN A 71 3.188 -10.571 4.038 1.00 0.00 C ATOM 1034 C ASN A 71 2.750 -11.042 5.445 1.00 0.00 C ATOM 1035 O ASN A 71 3.494 -11.721 6.159 1.00 0.00 O ATOM 1036 CB ASN A 71 3.699 -11.696 3.114 1.00 0.00 C ATOM 1037 CG ASN A 71 5.079 -12.248 3.433 1.00 0.00 C ATOM 1038 OD1 ASN A 71 5.231 -13.296 4.049 1.00 0.00 O ATOM 1039 ND2 ASN A 71 6.123 -11.582 2.988 1.00 0.00 N ATOM 0 H ASN A 71 5.033 -9.694 3.593 1.00 0.00 H new ATOM 0 HA ASN A 71 2.267 -10.196 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.984 -12.518 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.707 -11.322 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.064 -11.938 3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.991 -10.710 2.476 1.00 0.00 H new ATOM 1046 N GLY A 72 1.533 -10.648 5.847 1.00 0.00 N ATOM 1047 CA GLY A 72 0.914 -11.014 7.127 1.00 0.00 C ATOM 1048 C GLY A 72 1.237 -10.116 8.334 1.00 0.00 C ATOM 1049 O GLY A 72 0.854 -10.476 9.453 1.00 0.00 O ATOM 0 H GLY A 72 0.937 -10.050 5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.167 -11.025 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.215 -12.033 7.371 1.00 0.00 H new ATOM 1053 N LYS A 73 1.915 -8.971 8.158 1.00 0.00 N ATOM 1054 CA LYS A 73 2.163 -7.989 9.240 1.00 0.00 C ATOM 1055 C LYS A 73 0.881 -7.293 9.718 1.00 0.00 C ATOM 1056 O LYS A 73 -0.071 -7.119 8.958 1.00 0.00 O ATOM 1057 CB LYS A 73 3.197 -6.928 8.796 1.00 0.00 C ATOM 1058 CG LYS A 73 4.640 -7.303 9.165 1.00 0.00 C ATOM 1059 CD LYS A 73 5.624 -6.221 8.686 1.00 0.00 C ATOM 1060 CE LYS A 73 7.051 -6.478 9.188 1.00 0.00 C ATOM 1061 NZ LYS A 73 7.365 -5.732 10.431 1.00 0.00 N ATOM 0 H LYS A 73 2.311 -8.694 7.260 1.00 0.00 H new ATOM 0 HA LYS A 73 2.561 -8.557 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.128 -6.791 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.948 -5.971 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.724 -7.425 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.898 -8.261 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.624 -6.188 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.287 -5.245 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.182 -7.545 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.761 -6.196 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.340 -5.942 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.268 -4.711 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.707 -6.019 11.184 1.00 0.00 H new ATOM 1075 N GLU A 74 0.892 -6.819 10.962 1.00 0.00 N ATOM 1076 CA GLU A 74 -0.068 -5.834 11.476 1.00 0.00 C ATOM 1077 C GLU A 74 0.393 -4.398 11.161 1.00 0.00 C ATOM 1078 O GLU A 74 1.426 -3.952 11.672 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.253 -5.985 12.996 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.920 -7.294 13.425 1.00 0.00 C ATOM 1081 CD GLU A 74 -1.060 -7.338 14.951 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -0.092 -7.730 15.659 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -2.142 -6.975 15.470 1.00 0.00 O ATOM 0 H GLU A 74 1.579 -7.112 11.657 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.021 -6.021 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.722 -5.914 13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.851 -5.150 13.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.902 -7.381 12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.328 -8.142 13.082 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.408 -3.634 10.415 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.231 -2.202 10.123 1.00 0.00 C ATOM 1092 C LEU A 75 -1.536 -1.449 10.457 1.00 0.00 C ATOM 1093 O LEU A 75 -2.619 -1.887 10.082 1.00 0.00 O ATOM 1094 CB LEU A 75 0.187 -2.028 8.643 1.00 0.00 C ATOM 1095 CG LEU A 75 1.615 -1.491 8.418 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.716 -2.371 9.015 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.884 -1.399 6.916 1.00 0.00 C ATOM 0 H LEU A 75 -1.244 -4.015 9.972 1.00 0.00 H new ATOM 0 HA LEU A 75 0.561 -1.778 10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.096 -2.992 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.518 -1.350 8.161 1.00 0.00 H new ATOM 0 HG LEU A 75 1.649 -0.523 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.689 -1.923 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.571 -2.454 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.673 -3.363 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.892 -1.020 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.790 -2.388 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.162 -0.723 6.458 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.450 -0.339 11.196 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.594 0.379 11.802 1.00 0.00 C ATOM 1111 C ASP A 76 -3.467 -0.511 12.729 1.00 0.00 C ATOM 1112 O ASP A 76 -4.622 -0.198 13.032 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.388 1.126 10.705 1.00 0.00 C ATOM 1114 CG ASP A 76 -4.119 2.377 11.216 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -3.435 3.295 11.726 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.351 2.509 11.013 1.00 0.00 O ATOM 0 H ASP A 76 -0.555 0.106 11.400 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.198 1.131 12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.704 1.416 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.117 0.443 10.268 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.921 -1.629 13.222 1.00 0.00 N ATOM 1122 CA GLY A 77 -3.651 -2.676 13.951 1.00 0.00 C ATOM 1123 C GLY A 77 -4.482 -3.624 13.068 1.00 0.00 C ATOM 1124 O GLY A 77 -5.226 -4.457 13.596 1.00 0.00 O ATOM 0 H GLY A 77 -1.928 -1.838 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.935 -3.268 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.315 -2.200 14.672 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.385 -3.513 11.736 1.00 0.00 N ATOM 1129 CA ARG A 78 -5.062 -4.349 10.725 1.00 0.00 C ATOM 1130 C ARG A 78 -4.047 -5.269 10.042 1.00 0.00 C ATOM 1131 O ARG A 78 -2.876 -4.917 9.925 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.757 -3.438 9.693 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.916 -2.620 10.293 1.00 0.00 C ATOM 1134 CD ARG A 78 -8.285 -3.276 10.071 1.00 0.00 C ATOM 1135 NE ARG A 78 -8.781 -2.979 8.720 1.00 0.00 N ATOM 1136 CZ ARG A 78 -10.021 -3.065 8.289 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -10.978 -3.625 8.962 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.360 -2.554 7.149 1.00 0.00 N ATOM 0 H ARG A 78 -3.799 -2.797 11.307 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.814 -4.973 11.208 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.022 -2.756 9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.137 -4.050 8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.749 -2.492 11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.919 -1.624 9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.205 -4.354 10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.995 -2.912 10.814 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.086 -2.672 8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.788 -4.029 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.921 -3.661 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.663 -2.079 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.324 -2.626 6.824 1.00 0.00 H new ATOM 1152 N SER A 79 -4.467 -6.441 9.582 1.00 0.00 N ATOM 1153 CA SER A 79 -3.578 -7.385 8.889 1.00 0.00 C ATOM 1154 C SER A 79 -3.418 -7.015 7.414 1.00 0.00 C ATOM 1155 O SER A 79 -4.407 -6.742 6.730 1.00 0.00 O ATOM 1156 CB SER A 79 -4.087 -8.815 9.053 1.00 0.00 C ATOM 1157 OG SER A 79 -3.918 -9.203 10.405 1.00 0.00 O ATOM 0 H SER A 79 -5.428 -6.770 9.675 1.00 0.00 H new ATOM 0 HA SER A 79 -2.590 -7.323 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.138 -8.877 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.539 -9.489 8.395 1.00 0.00 H new ATOM 0 HG SER A 79 -4.243 -10.120 10.525 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.174 -6.996 6.921 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.849 -6.587 5.548 1.00 0.00 C ATOM 1165 C ILE A 80 -1.581 -7.778 4.615 1.00 0.00 C ATOM 1166 O ILE A 80 -1.078 -8.829 5.030 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.749 -5.496 5.548 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.814 -4.614 4.280 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.657 -6.087 5.724 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.033 -3.340 4.385 1.00 0.00 C ATOM 0 H ILE A 80 -1.357 -7.266 7.468 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.733 -6.121 5.112 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.949 -4.861 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.477 -5.197 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.851 -4.338 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.393 -5.283 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.711 -6.621 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.866 -6.777 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.057 -2.766 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.318 -2.737 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.077 -3.609 4.545 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.915 -7.595 3.336 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.645 -8.521 2.222 1.00 0.00 C ATOM 1184 C VAL A 81 -0.978 -7.731 1.097 1.00 0.00 C ATOM 1185 O VAL A 81 -1.356 -6.583 0.851 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.938 -9.211 1.734 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.696 -10.121 0.522 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.534 -10.080 2.846 1.00 0.00 C ATOM 0 H VAL A 81 -2.406 -6.756 3.028 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.980 -9.316 2.559 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.619 -8.409 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.636 -10.581 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.299 -9.530 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.980 -10.899 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.444 -10.559 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.813 -10.844 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.769 -9.456 3.708 1.00 0.00 H new ATOM 1198 N VAL A 82 0.026 -8.329 0.445 1.00 0.00 N ATOM 1199 CA VAL A 82 0.933 -7.633 -0.489 1.00 0.00 C ATOM 1200 C VAL A 82 1.158 -8.386 -1.810 1.00 0.00 C ATOM 1201 O VAL A 82 1.526 -9.562 -1.809 1.00 0.00 O ATOM 1202 CB VAL A 82 2.284 -7.309 0.162 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.133 -6.075 1.055 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.879 -8.463 0.978 1.00 0.00 C ATOM 0 H VAL A 82 0.238 -9.321 0.549 1.00 0.00 H new ATOM 0 HA VAL A 82 0.421 -6.702 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 82 2.982 -7.123 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.091 -5.842 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.806 -5.228 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.394 -6.275 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.833 -8.153 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.193 -8.732 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.035 -9.325 0.329 1.00 0.00 H new ATOM 1214 N ASN A 83 1.016 -7.692 -2.944 1.00 0.00 N ATOM 1215 CA ASN A 83 1.410 -8.172 -4.279 1.00 0.00 C ATOM 1216 C ASN A 83 1.718 -7.006 -5.235 1.00 0.00 C ATOM 1217 O ASN A 83 1.230 -5.895 -5.042 1.00 0.00 O ATOM 1218 CB ASN A 83 0.327 -9.105 -4.870 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.083 -8.523 -4.933 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.944 -8.810 -4.105 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.381 -7.703 -5.916 1.00 0.00 N ATOM 0 H ASN A 83 0.613 -6.755 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 83 2.329 -8.747 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.629 -9.389 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.297 -10.019 -4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.320 -7.311 -5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.673 -7.458 -6.609 1.00 0.00 H new ATOM 1228 N GLU A 84 2.481 -7.247 -6.303 1.00 0.00 N ATOM 1229 CA GLU A 84 2.688 -6.263 -7.381 1.00 0.00 C ATOM 1230 C GLU A 84 1.378 -5.858 -8.079 1.00 0.00 C ATOM 1231 O GLU A 84 0.421 -6.637 -8.128 1.00 0.00 O ATOM 1232 CB GLU A 84 3.726 -6.767 -8.396 1.00 0.00 C ATOM 1233 CG GLU A 84 3.348 -8.065 -9.135 1.00 0.00 C ATOM 1234 CD GLU A 84 2.494 -7.891 -10.402 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.444 -6.801 -11.018 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.836 -8.880 -10.805 1.00 0.00 O ATOM 0 H GLU A 84 2.975 -8.127 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 84 3.078 -5.361 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.897 -5.984 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.671 -6.926 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.266 -8.586 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.809 -8.711 -8.442 1.00 0.00 H new ATOM 1243 N ALA A 85 1.354 -4.629 -8.604 1.00 0.00 N ATOM 1244 CA ALA A 85 0.195 -4.007 -9.251 1.00 0.00 C ATOM 1245 C ALA A 85 0.539 -3.380 -10.618 1.00 0.00 C ATOM 1246 O ALA A 85 -0.124 -2.439 -11.060 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.422 -2.998 -8.273 1.00 0.00 C ATOM 0 H ALA A 85 2.171 -4.018 -8.589 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.541 -4.777 -9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.287 -2.524 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.735 -3.515 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.317 -2.237 -8.021 1.00 0.00 H new