USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -10.1! C(o=-9.1!,f=-17!) USER MOD Set 1.2: A 74 SER OG : rot 157:sc= 0.0167 USER MOD Set 1.3: A 78 THR OG1 : rot 32:sc= 1.02 USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.835 USER MOD Single : A 12 SER OG : rot -25:sc= -0.972! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 90:sc= -1.08 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 86:sc= 1.1 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.5!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.41 F(o=-2.1,f=-1.4) USER MOD Single : A 81 ASN : amide:sc= -2.17 K(o=-2.2,f=-7!) USER MOD Single : A 82 SER OG : rot 42:sc= 0.0644 USER MOD Single : A 83 ASN : amide:sc=-0.00435 X(o=-0.0044,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 90 SER OG : rot 30:sc= 0.038 USER MOD Single : A 92 ASN : amide:sc= -0.603! C(o=-0.6!,f=-5.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 106 SER OG : rot -160:sc= -2.21 USER MOD Single : A 110 ASN :FLIP amide:sc= -1.97! C(o=-4.8!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.274 -10.414 -3.012 1.00 0.00 N ATOM 100 CA THR A 10 -10.070 -9.645 -2.747 1.00 0.00 C ATOM 101 C THR A 10 -10.429 -8.255 -2.219 1.00 0.00 C ATOM 102 O THR A 10 -10.994 -7.438 -2.945 1.00 0.00 O ATOM 103 CB THR A 10 -9.239 -9.611 -4.031 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.409 -10.911 -4.589 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.737 -9.518 -3.754 1.00 0.00 C ATOM 0 HA THR A 10 -9.469 -10.109 -1.965 1.00 0.00 H new ATOM 0 HB THR A 10 -9.549 -8.763 -4.641 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.313 -11.235 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.193 -9.497 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.526 -8.607 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.420 -10.383 -3.172 1.00 0.00 H new ATOM 113 N PRO A 11 -10.079 -8.023 -0.925 1.00 0.00 N ATOM 114 CA PRO A 11 -10.359 -6.746 -0.291 1.00 0.00 C ATOM 115 C PRO A 11 -9.392 -5.667 -0.783 1.00 0.00 C ATOM 116 O PRO A 11 -8.200 -5.922 -0.942 1.00 0.00 O ATOM 117 CB PRO A 11 -10.242 -7.013 1.200 1.00 0.00 C ATOM 118 CG PRO A 11 -9.450 -8.304 1.332 1.00 0.00 C ATOM 119 CD PRO A 11 -9.410 -8.968 -0.035 1.00 0.00 C ATOM 0 HA PRO A 11 -11.349 -6.362 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.735 -6.191 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.226 -7.110 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.440 -8.098 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.915 -8.964 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.385 -9.155 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.921 -9.931 -0.023 1.00 0.00 H new ATOM 127 N SER A 12 -9.943 -4.483 -1.009 1.00 0.00 N ATOM 128 CA SER A 12 -9.144 -3.364 -1.479 1.00 0.00 C ATOM 129 C SER A 12 -7.993 -3.098 -0.508 1.00 0.00 C ATOM 130 O SER A 12 -8.084 -3.428 0.674 1.00 0.00 O ATOM 131 CB SER A 12 -10.001 -2.107 -1.644 1.00 0.00 C ATOM 132 OG SER A 12 -9.979 -1.617 -2.982 1.00 0.00 O ATOM 0 H SER A 12 -10.932 -4.275 -0.875 1.00 0.00 H new ATOM 0 HA SER A 12 -8.734 -3.623 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.029 -2.329 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.641 -1.331 -0.968 1.00 0.00 H new ATOM 0 HG SER A 12 -9.151 -1.903 -3.422 1.00 0.00 H new ATOM 138 N LEU A 13 -6.935 -2.505 -1.042 1.00 0.00 N ATOM 139 CA LEU A 13 -5.767 -2.192 -0.237 1.00 0.00 C ATOM 140 C LEU A 13 -5.914 -0.782 0.341 1.00 0.00 C ATOM 141 O LEU A 13 -5.845 0.203 -0.392 1.00 0.00 O ATOM 142 CB LEU A 13 -4.486 -2.392 -1.050 1.00 0.00 C ATOM 143 CG LEU A 13 -3.180 -2.393 -0.254 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.251 -3.377 0.916 1.00 0.00 C ATOM 145 CD2 LEU A 13 -1.983 -2.673 -1.165 1.00 0.00 C ATOM 0 H LEU A 13 -6.863 -2.233 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.692 -2.877 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.563 -3.339 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.430 -1.605 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.038 -1.399 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.310 -3.358 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.066 -3.092 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.428 -4.383 0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.067 -2.668 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.105 -3.648 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.923 -1.903 -1.934 1.00 0.00 H new ATOM 157 N ARG A 14 -6.114 -0.732 1.649 1.00 0.00 N ATOM 158 CA ARG A 14 -6.272 0.540 2.334 1.00 0.00 C ATOM 159 C ARG A 14 -5.040 0.838 3.191 1.00 0.00 C ATOM 160 O ARG A 14 -4.889 0.285 4.280 1.00 0.00 O ATOM 161 CB ARG A 14 -7.516 0.536 3.225 1.00 0.00 C ATOM 162 CG ARG A 14 -7.776 1.925 3.809 1.00 0.00 C ATOM 163 CD ARG A 14 -8.555 1.831 5.123 1.00 0.00 C ATOM 164 NE ARG A 14 -9.814 2.602 5.022 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.873 3.940 4.975 1.00 0.00 C ATOM 166 NH1 ARG A 14 -8.746 4.663 5.019 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.060 4.555 4.884 1.00 0.00 N ATOM 0 H ARG A 14 -6.170 -1.552 2.253 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.386 1.313 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.381 0.213 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.387 -0.184 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.828 2.435 3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.336 2.526 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.775 0.788 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.948 2.215 5.943 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.691 2.083 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.842 4.195 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.792 5.681 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.918 4.005 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.105 5.573 4.848 1.00 0.00 H new ATOM 181 N LEU A 15 -4.191 1.710 2.668 1.00 0.00 N ATOM 182 CA LEU A 15 -2.977 2.088 3.372 1.00 0.00 C ATOM 183 C LEU A 15 -3.264 3.302 4.257 1.00 0.00 C ATOM 184 O LEU A 15 -3.664 4.355 3.763 1.00 0.00 O ATOM 185 CB LEU A 15 -1.830 2.305 2.383 1.00 0.00 C ATOM 186 CG LEU A 15 -1.365 1.067 1.613 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.566 1.463 0.370 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.580 0.119 2.521 1.00 0.00 C ATOM 0 H LEU A 15 -4.320 2.166 1.765 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.651 1.283 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.137 3.063 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.978 2.710 2.929 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.247 0.527 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.247 0.565 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.191 2.069 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.310 2.038 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.261 -0.752 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.296 0.635 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.214 -0.202 3.347 1.00 0.00 H new ATOM 200 N VAL A 16 -3.047 3.115 5.551 1.00 0.00 N ATOM 201 CA VAL A 16 -3.276 4.182 6.510 1.00 0.00 C ATOM 202 C VAL A 16 -1.934 4.653 7.074 1.00 0.00 C ATOM 203 O VAL A 16 -1.161 3.852 7.596 1.00 0.00 O ATOM 204 CB VAL A 16 -4.247 3.711 7.595 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.545 4.834 8.590 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.538 3.169 6.977 1.00 0.00 C ATOM 0 H VAL A 16 -2.715 2.240 5.957 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.743 5.038 6.023 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.770 2.898 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.237 4.472 9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.618 5.154 9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.992 5.677 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.211 2.841 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.020 3.954 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.304 2.326 6.327 1.00 0.00 H new ATOM 216 N PHE A 17 -1.699 5.951 6.948 1.00 0.00 N ATOM 217 CA PHE A 17 -0.463 6.538 7.438 1.00 0.00 C ATOM 218 C PHE A 17 -0.571 6.879 8.926 1.00 0.00 C ATOM 219 O PHE A 17 -1.050 7.953 9.287 1.00 0.00 O ATOM 220 CB PHE A 17 -0.236 7.828 6.647 1.00 0.00 C ATOM 221 CG PHE A 17 0.299 7.603 5.231 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.546 7.091 5.049 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.472 7.916 4.155 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.043 6.882 3.735 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.025 7.707 2.841 1.00 0.00 C ATOM 226 CZ PHE A 17 1.272 7.195 2.659 1.00 0.00 C ATOM 0 H PHE A 17 -2.343 6.612 6.514 1.00 0.00 H new ATOM 0 HA PHE A 17 0.359 5.834 7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.177 8.375 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.465 8.459 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.158 6.843 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.462 8.323 4.300 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.033 6.475 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.587 7.955 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.650 7.037 1.660 1.00 0.00 H new ATOM 236 N VAL A 18 -0.116 5.945 9.749 1.00 0.00 N ATOM 237 CA VAL A 18 -0.155 6.133 11.189 1.00 0.00 C ATOM 238 C VAL A 18 1.033 6.997 11.618 1.00 0.00 C ATOM 239 O VAL A 18 0.982 7.657 12.655 1.00 0.00 O ATOM 240 CB VAL A 18 -0.193 4.776 11.893 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.578 4.136 11.777 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.889 3.843 11.345 1.00 0.00 C ATOM 0 H VAL A 18 0.281 5.056 9.446 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.063 6.661 11.481 1.00 0.00 H new ATOM 0 HB VAL A 18 0.012 4.942 12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.577 3.172 12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.320 4.789 12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.825 3.991 10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.840 2.885 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.729 3.687 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.870 4.291 11.503 1.00 0.00 H new ATOM 252 N LYS A 19 2.074 6.964 10.800 1.00 0.00 N ATOM 253 CA LYS A 19 3.273 7.735 11.082 1.00 0.00 C ATOM 254 C LYS A 19 3.732 8.441 9.805 1.00 0.00 C ATOM 255 O LYS A 19 3.028 8.428 8.797 1.00 0.00 O ATOM 256 CB LYS A 19 4.346 6.845 11.712 1.00 0.00 C ATOM 257 CG LYS A 19 3.868 6.273 13.049 1.00 0.00 C ATOM 258 CD LYS A 19 4.690 6.834 14.211 1.00 0.00 C ATOM 259 CE LYS A 19 4.406 6.067 15.504 1.00 0.00 C ATOM 260 NZ LYS A 19 5.185 6.637 16.626 1.00 0.00 N ATOM 0 H LYS A 19 2.112 6.415 9.941 1.00 0.00 H new ATOM 0 HA LYS A 19 3.063 8.511 11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.594 6.030 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.258 7.421 11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.815 6.512 13.195 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.949 5.186 13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.752 6.772 13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.456 7.889 14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.341 6.111 15.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.661 5.015 15.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.981 6.105 17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.201 6.573 16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.922 7.634 16.760 1.00 0.00 H new ATOM 274 N GLY A 20 4.910 9.041 9.890 1.00 0.00 N ATOM 275 CA GLY A 20 5.472 9.752 8.753 1.00 0.00 C ATOM 276 C GLY A 20 4.854 11.145 8.618 1.00 0.00 C ATOM 277 O GLY A 20 4.090 11.575 9.481 1.00 0.00 O ATOM 0 H GLY A 20 5.491 9.050 10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.552 9.839 8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.297 9.182 7.840 1.00 0.00 H new ATOM 281 N PRO A 21 5.218 11.829 7.501 1.00 0.00 N ATOM 282 CA PRO A 21 4.708 13.165 7.241 1.00 0.00 C ATOM 283 C PRO A 21 3.250 13.115 6.778 1.00 0.00 C ATOM 284 O PRO A 21 2.519 14.095 6.912 1.00 0.00 O ATOM 285 CB PRO A 21 5.644 13.747 6.195 1.00 0.00 C ATOM 286 CG PRO A 21 6.359 12.561 5.569 1.00 0.00 C ATOM 287 CD PRO A 21 6.121 11.351 6.458 1.00 0.00 C ATOM 0 HA PRO A 21 4.692 13.790 8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.089 14.309 5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.356 14.437 6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.982 12.376 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.426 12.763 5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.678 10.528 5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.055 10.981 6.882 1.00 0.00 H new ATOM 295 N ARG A 22 2.872 11.963 6.244 1.00 0.00 N ATOM 296 CA ARG A 22 1.515 11.773 5.761 1.00 0.00 C ATOM 297 C ARG A 22 0.607 11.302 6.899 1.00 0.00 C ATOM 298 O ARG A 22 -0.597 11.135 6.709 1.00 0.00 O ATOM 299 CB ARG A 22 1.473 10.747 4.626 1.00 0.00 C ATOM 300 CG ARG A 22 0.747 11.311 3.403 1.00 0.00 C ATOM 301 CD ARG A 22 1.716 12.066 2.491 1.00 0.00 C ATOM 302 NE ARG A 22 1.769 13.493 2.879 1.00 0.00 N ATOM 303 CZ ARG A 22 2.600 14.390 2.331 1.00 0.00 C ATOM 304 NH1 ARG A 22 3.452 14.013 1.368 1.00 0.00 N ATOM 305 NH2 ARG A 22 2.579 15.664 2.746 1.00 0.00 N ATOM 0 H ARG A 22 3.481 11.152 6.135 1.00 0.00 H new ATOM 0 HA ARG A 22 1.161 12.732 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.489 10.462 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.969 9.843 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.277 10.499 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.051 11.980 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.711 11.625 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.397 11.975 1.453 1.00 0.00 H new ATOM 0 HE ARG A 22 1.133 13.814 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.468 13.043 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.085 14.696 0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.930 15.951 3.479 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.212 16.347 2.329 1.00 0.00 H new ATOM 319 N GLU A 23 1.219 11.102 8.057 1.00 0.00 N ATOM 320 CA GLU A 23 0.481 10.654 9.225 1.00 0.00 C ATOM 321 C GLU A 23 -0.913 11.284 9.247 1.00 0.00 C ATOM 322 O GLU A 23 -1.045 12.503 9.350 1.00 0.00 O ATOM 323 CB GLU A 23 1.246 10.970 10.512 1.00 0.00 C ATOM 324 CG GLU A 23 0.441 10.555 11.745 1.00 0.00 C ATOM 325 CD GLU A 23 0.029 11.778 12.567 1.00 0.00 C ATOM 326 OE1 GLU A 23 -1.016 12.370 12.220 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.768 12.093 13.525 1.00 0.00 O ATOM 0 H GLU A 23 2.218 11.242 8.211 1.00 0.00 H new ATOM 0 HA GLU A 23 0.368 9.572 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.204 10.450 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.463 12.037 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.447 10.004 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.035 9.881 12.362 1.00 0.00 H new ATOM 334 N GLY A 24 -1.917 10.426 9.149 1.00 0.00 N ATOM 335 CA GLY A 24 -3.296 10.884 9.156 1.00 0.00 C ATOM 336 C GLY A 24 -3.924 10.754 7.767 1.00 0.00 C ATOM 337 O GLY A 24 -5.109 11.035 7.588 1.00 0.00 O ATOM 0 H GLY A 24 -1.803 9.416 9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.872 10.302 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.336 11.924 9.481 1.00 0.00 H new ATOM 341 N ASP A 25 -3.103 10.328 6.818 1.00 0.00 N ATOM 342 CA ASP A 25 -3.563 10.158 5.451 1.00 0.00 C ATOM 343 C ASP A 25 -3.785 8.669 5.174 1.00 0.00 C ATOM 344 O ASP A 25 -3.133 7.818 5.777 1.00 0.00 O ATOM 345 CB ASP A 25 -2.526 10.675 4.452 1.00 0.00 C ATOM 346 CG ASP A 25 -2.602 12.175 4.159 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.172 12.891 5.010 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.089 12.571 3.090 1.00 0.00 O ATOM 0 H ASP A 25 -2.121 10.096 6.970 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.488 10.722 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.531 10.444 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.643 10.131 3.515 1.00 0.00 H new ATOM 353 N ALA A 26 -4.707 8.401 4.261 1.00 0.00 N ATOM 354 CA ALA A 26 -5.023 7.030 3.897 1.00 0.00 C ATOM 355 C ALA A 26 -5.454 6.983 2.430 1.00 0.00 C ATOM 356 O ALA A 26 -5.894 7.989 1.876 1.00 0.00 O ATOM 357 CB ALA A 26 -6.099 6.487 4.838 1.00 0.00 C ATOM 0 H ALA A 26 -5.245 9.110 3.763 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.145 6.393 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.336 5.459 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.733 6.515 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.997 7.100 4.757 1.00 0.00 H new ATOM 363 N LEU A 27 -5.312 5.804 1.842 1.00 0.00 N ATOM 364 CA LEU A 27 -5.681 5.613 0.449 1.00 0.00 C ATOM 365 C LEU A 27 -6.410 4.277 0.299 1.00 0.00 C ATOM 366 O LEU A 27 -6.512 3.510 1.255 1.00 0.00 O ATOM 367 CB LEU A 27 -4.453 5.749 -0.454 1.00 0.00 C ATOM 368 CG LEU A 27 -3.607 7.008 -0.251 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.114 6.680 -0.307 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.993 8.096 -1.255 1.00 0.00 C ATOM 0 H LEU A 27 -4.947 4.972 2.305 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.372 6.392 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.816 4.878 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.785 5.722 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.813 7.401 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.535 7.592 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.869 5.964 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.872 6.250 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.377 8.980 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.834 7.728 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.043 8.356 -1.124 1.00 0.00 H new ATOM 382 N ASP A 28 -6.899 4.039 -0.910 1.00 0.00 N ATOM 383 CA ASP A 28 -7.616 2.808 -1.198 1.00 0.00 C ATOM 384 C ASP A 28 -7.395 2.426 -2.663 1.00 0.00 C ATOM 385 O ASP A 28 -7.469 3.276 -3.548 1.00 0.00 O ATOM 386 CB ASP A 28 -9.120 2.982 -0.976 1.00 0.00 C ATOM 387 CG ASP A 28 -9.808 3.949 -1.942 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.599 5.169 -1.768 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.528 3.446 -2.832 1.00 0.00 O ATOM 0 H ASP A 28 -6.813 4.677 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.240 2.034 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.600 2.007 -1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.284 3.332 0.043 1.00 0.00 H new ATOM 394 N TYR A 29 -7.129 1.145 -2.872 1.00 0.00 N ATOM 395 CA TYR A 29 -6.897 0.639 -4.215 1.00 0.00 C ATOM 396 C TYR A 29 -7.573 -0.719 -4.413 1.00 0.00 C ATOM 397 O TYR A 29 -7.643 -1.523 -3.485 1.00 0.00 O ATOM 398 CB TYR A 29 -5.382 0.465 -4.344 1.00 0.00 C ATOM 399 CG TYR A 29 -4.585 1.748 -4.099 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.355 2.626 -5.138 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.097 2.027 -2.838 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.605 3.834 -4.907 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.347 3.234 -2.608 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.138 4.078 -3.653 1.00 0.00 C ATOM 405 OH TYR A 29 -2.430 5.219 -3.436 1.00 0.00 O ATOM 0 H TYR A 29 -7.069 0.443 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.304 1.324 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.052 -0.296 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.153 0.092 -5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.737 2.408 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.278 1.340 -2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.418 4.530 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.959 3.464 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.042 5.940 -3.180 1.00 0.00 H new ATOM 415 N LYS A 30 -8.053 -0.933 -5.630 1.00 0.00 N ATOM 416 CA LYS A 30 -8.720 -2.180 -5.962 1.00 0.00 C ATOM 417 C LYS A 30 -7.689 -3.309 -6.010 1.00 0.00 C ATOM 418 O LYS A 30 -6.486 -3.055 -6.050 1.00 0.00 O ATOM 419 CB LYS A 30 -9.527 -2.028 -7.253 1.00 0.00 C ATOM 420 CG LYS A 30 -8.706 -2.472 -8.467 1.00 0.00 C ATOM 421 CD LYS A 30 -9.479 -2.236 -9.766 1.00 0.00 C ATOM 422 CE LYS A 30 -8.588 -1.575 -10.821 1.00 0.00 C ATOM 423 NZ LYS A 30 -9.414 -0.894 -11.843 1.00 0.00 N ATOM 0 H LYS A 30 -7.993 -0.264 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.443 -2.442 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.439 -2.622 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.832 -0.989 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.765 -1.923 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.456 -3.529 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.857 -3.185 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.345 -1.604 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.922 -0.856 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.958 -2.327 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.795 -0.451 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.032 -1.589 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.997 -0.163 -11.387 1.00 0.00 H new ATOM 437 N PRO A 31 -8.211 -4.565 -6.003 1.00 0.00 N ATOM 438 CA PRO A 31 -7.349 -5.734 -6.045 1.00 0.00 C ATOM 439 C PRO A 31 -6.776 -5.942 -7.448 1.00 0.00 C ATOM 440 O PRO A 31 -7.501 -5.857 -8.438 1.00 0.00 O ATOM 441 CB PRO A 31 -8.226 -6.886 -5.585 1.00 0.00 C ATOM 442 CG PRO A 31 -9.660 -6.410 -5.748 1.00 0.00 C ATOM 443 CD PRO A 31 -9.630 -4.904 -5.955 1.00 0.00 C ATOM 0 HA PRO A 31 -6.475 -5.635 -5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.041 -7.780 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.016 -7.146 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.132 -6.903 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.249 -6.663 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.136 -4.621 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.135 -4.382 -5.142 1.00 0.00 H new ATOM 451 N GLY A 32 -5.479 -6.212 -7.489 1.00 0.00 N ATOM 452 CA GLY A 32 -4.800 -6.433 -8.755 1.00 0.00 C ATOM 453 C GLY A 32 -4.184 -5.135 -9.280 1.00 0.00 C ATOM 454 O GLY A 32 -3.796 -5.055 -10.445 1.00 0.00 O ATOM 0 H GLY A 32 -4.881 -6.283 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.021 -7.184 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.506 -6.827 -9.486 1.00 0.00 H new ATOM 458 N SER A 33 -4.112 -4.151 -8.396 1.00 0.00 N ATOM 459 CA SER A 33 -3.549 -2.860 -8.756 1.00 0.00 C ATOM 460 C SER A 33 -2.230 -2.639 -8.014 1.00 0.00 C ATOM 461 O SER A 33 -2.216 -2.508 -6.791 1.00 0.00 O ATOM 462 CB SER A 33 -4.529 -1.727 -8.447 1.00 0.00 C ATOM 463 OG SER A 33 -5.025 -1.112 -9.633 1.00 0.00 O ATOM 0 H SER A 33 -4.434 -4.221 -7.431 1.00 0.00 H new ATOM 0 HA SER A 33 -3.359 -2.857 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.364 -2.118 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.034 -0.977 -7.830 1.00 0.00 H new ATOM 0 HG SER A 33 -5.649 -0.395 -9.393 1.00 0.00 H new ATOM 469 N THR A 34 -1.152 -2.605 -8.784 1.00 0.00 N ATOM 470 CA THR A 34 0.169 -2.402 -8.215 1.00 0.00 C ATOM 471 C THR A 34 0.298 -0.982 -7.661 1.00 0.00 C ATOM 472 O THR A 34 -0.017 -0.012 -8.349 1.00 0.00 O ATOM 473 CB THR A 34 1.204 -2.731 -9.293 1.00 0.00 C ATOM 474 OG1 THR A 34 0.986 -4.110 -9.575 1.00 0.00 O ATOM 475 CG2 THR A 34 2.638 -2.681 -8.762 1.00 0.00 C ATOM 0 H THR A 34 -1.167 -2.715 -9.798 1.00 0.00 H new ATOM 0 HA THR A 34 0.341 -3.065 -7.367 1.00 0.00 H new ATOM 0 HB THR A 34 1.099 -2.031 -10.122 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.615 -4.406 -10.266 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.333 -2.922 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.852 -1.681 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.753 -3.405 -7.955 1.00 0.00 H new ATOM 483 N ILE A 35 0.763 -0.904 -6.423 1.00 0.00 N ATOM 484 CA ILE A 35 0.938 0.381 -5.768 1.00 0.00 C ATOM 485 C ILE A 35 2.426 0.612 -5.496 1.00 0.00 C ATOM 486 O ILE A 35 2.976 0.073 -4.537 1.00 0.00 O ATOM 487 CB ILE A 35 0.063 0.469 -4.516 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.416 0.301 -4.869 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.327 1.768 -3.753 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.041 -0.849 -4.078 1.00 0.00 C ATOM 0 H ILE A 35 1.024 -1.711 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 35 0.603 1.188 -6.419 1.00 0.00 H new ATOM 0 HB ILE A 35 0.331 -0.353 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.952 1.226 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.519 0.111 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.308 1.805 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.374 1.806 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.103 2.619 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.093 -0.947 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.519 -1.777 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.958 -0.644 -3.011 1.00 0.00 H new ATOM 502 N ARG A 36 3.036 1.413 -6.357 1.00 0.00 N ATOM 503 CA ARG A 36 4.449 1.721 -6.222 1.00 0.00 C ATOM 504 C ARG A 36 4.652 2.847 -5.206 1.00 0.00 C ATOM 505 O ARG A 36 4.454 4.018 -5.524 1.00 0.00 O ATOM 506 CB ARG A 36 5.053 2.140 -7.564 1.00 0.00 C ATOM 507 CG ARG A 36 4.783 1.085 -8.639 1.00 0.00 C ATOM 508 CD ARG A 36 6.092 0.509 -9.182 1.00 0.00 C ATOM 509 NE ARG A 36 5.979 0.283 -10.641 1.00 0.00 N ATOM 510 CZ ARG A 36 5.895 1.265 -11.549 1.00 0.00 C ATOM 511 NH1 ARG A 36 5.910 2.546 -11.154 1.00 0.00 N ATOM 512 NH2 ARG A 36 5.795 0.967 -12.851 1.00 0.00 N ATOM 0 H ARG A 36 2.577 1.858 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 36 4.953 0.819 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.632 3.096 -7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.128 2.286 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.174 0.283 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.211 1.529 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.914 1.194 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.323 -0.429 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 36 5.964 -0.680 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.985 2.773 -10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.846 3.294 -11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.783 -0.008 -13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.731 1.715 -13.542 1.00 0.00 H new ATOM 526 N VAL A 37 5.043 2.452 -4.003 1.00 0.00 N ATOM 527 CA VAL A 37 5.275 3.413 -2.938 1.00 0.00 C ATOM 528 C VAL A 37 6.738 3.859 -2.969 1.00 0.00 C ATOM 529 O VAL A 37 7.645 3.031 -2.900 1.00 0.00 O ATOM 530 CB VAL A 37 4.861 2.813 -1.593 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.790 3.892 -0.510 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.532 2.065 -1.711 1.00 0.00 C ATOM 0 H VAL A 37 5.205 1.479 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 37 4.661 4.302 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 37 5.624 2.093 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.494 3.439 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.768 4.360 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.058 4.647 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.261 1.649 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.754 2.754 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.632 1.258 -2.437 1.00 0.00 H new ATOM 542 N GLY A 38 6.922 5.167 -3.073 1.00 0.00 N ATOM 543 CA GLY A 38 8.260 5.734 -3.114 1.00 0.00 C ATOM 544 C GLY A 38 8.283 7.131 -2.492 1.00 0.00 C ATOM 545 O GLY A 38 7.384 7.492 -1.733 1.00 0.00 O ATOM 0 H GLY A 38 6.167 5.851 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.951 5.083 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.605 5.786 -4.147 1.00 0.00 H new ATOM 549 N ARG A 39 9.319 7.881 -2.837 1.00 0.00 N ATOM 550 CA ARG A 39 9.471 9.231 -2.322 1.00 0.00 C ATOM 551 C ARG A 39 8.933 10.247 -3.331 1.00 0.00 C ATOM 552 O ARG A 39 8.457 11.315 -2.948 1.00 0.00 O ATOM 553 CB ARG A 39 10.938 9.545 -2.025 1.00 0.00 C ATOM 554 CG ARG A 39 11.138 11.041 -1.773 1.00 0.00 C ATOM 555 CD ARG A 39 12.530 11.320 -1.201 1.00 0.00 C ATOM 556 NE ARG A 39 13.208 12.362 -2.004 1.00 0.00 N ATOM 557 CZ ARG A 39 12.839 13.650 -2.027 1.00 0.00 C ATOM 558 NH1 ARG A 39 11.797 14.062 -1.292 1.00 0.00 N ATOM 559 NH2 ARG A 39 13.512 14.527 -2.785 1.00 0.00 N ATOM 0 H ARG A 39 10.062 7.579 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 39 8.902 9.298 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.266 8.979 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.559 9.227 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.007 11.591 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.377 11.402 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.447 11.645 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.123 10.405 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 39 14.005 12.082 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.285 13.395 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.516 15.042 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.305 14.214 -3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.231 15.507 -2.802 1.00 0.00 H new ATOM 573 N ILE A 40 9.027 9.880 -4.601 1.00 0.00 N ATOM 574 CA ILE A 40 8.556 10.746 -5.668 1.00 0.00 C ATOM 575 C ILE A 40 7.143 10.324 -6.075 1.00 0.00 C ATOM 576 O ILE A 40 6.764 9.166 -5.905 1.00 0.00 O ATOM 577 CB ILE A 40 9.553 10.758 -6.828 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.766 9.348 -7.382 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.870 11.416 -6.412 1.00 0.00 C ATOM 580 CD1 ILE A 40 9.856 9.367 -8.909 1.00 0.00 C ATOM 0 H ILE A 40 9.423 8.994 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 40 8.493 11.778 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 40 9.133 11.360 -7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.680 8.924 -6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.944 8.703 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.561 11.412 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.681 12.444 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.307 10.862 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.007 8.352 -9.277 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.931 9.769 -9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.694 9.993 -9.216 1.00 0.00 H new ATOM 653 N GLU A 45 2.664 5.460 -7.266 1.00 0.00 N ATOM 654 CA GLU A 45 1.297 5.540 -6.780 1.00 0.00 C ATOM 655 C GLU A 45 1.229 6.424 -5.533 1.00 0.00 C ATOM 656 O GLU A 45 0.492 7.408 -5.504 1.00 0.00 O ATOM 657 CB GLU A 45 0.734 4.147 -6.495 1.00 0.00 C ATOM 658 CG GLU A 45 0.143 3.525 -7.763 1.00 0.00 C ATOM 659 CD GLU A 45 -0.897 4.452 -8.395 1.00 0.00 C ATOM 660 OE1 GLU A 45 -2.022 4.496 -7.851 1.00 0.00 O ATOM 661 OE2 GLU A 45 -0.545 5.094 -9.407 1.00 0.00 O ATOM 0 HA GLU A 45 0.681 5.992 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.523 3.505 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.035 4.212 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.940 3.324 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.317 2.567 -7.522 1.00 0.00 H new ATOM 668 N ILE A 46 2.008 6.041 -4.532 1.00 0.00 N ATOM 669 CA ILE A 46 2.046 6.787 -3.285 1.00 0.00 C ATOM 670 C ILE A 46 3.442 7.382 -3.094 1.00 0.00 C ATOM 671 O ILE A 46 4.445 6.711 -3.333 1.00 0.00 O ATOM 672 CB ILE A 46 1.588 5.907 -2.120 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.228 5.270 -2.416 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.578 6.694 -0.809 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.012 4.019 -1.562 1.00 0.00 C ATOM 0 H ILE A 46 2.618 5.224 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 46 1.345 7.621 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 46 2.306 5.095 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.566 5.991 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.167 5.009 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.249 6.045 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.583 7.060 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.895 7.539 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.961 3.585 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.794 3.291 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.050 4.288 -0.506 1.00 0.00 H new ATOM 687 N ALA A 47 3.462 8.635 -2.664 1.00 0.00 N ATOM 688 CA ALA A 47 4.719 9.329 -2.438 1.00 0.00 C ATOM 689 C ALA A 47 4.661 10.054 -1.092 1.00 0.00 C ATOM 690 O ALA A 47 3.631 10.621 -0.732 1.00 0.00 O ATOM 691 CB ALA A 47 4.993 10.282 -3.603 1.00 0.00 C ATOM 0 H ALA A 47 2.628 9.188 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 47 5.546 8.621 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.936 10.802 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.054 9.714 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.185 11.010 -3.676 1.00 0.00 H new ATOM 697 N ILE A 48 5.781 10.012 -0.385 1.00 0.00 N ATOM 698 CA ILE A 48 5.871 10.659 0.913 1.00 0.00 C ATOM 699 C ILE A 48 7.122 11.538 0.955 1.00 0.00 C ATOM 700 O ILE A 48 8.243 11.031 0.923 1.00 0.00 O ATOM 701 CB ILE A 48 5.811 9.619 2.034 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.535 8.781 1.938 1.00 0.00 C ATOM 703 CG2 ILE A 48 5.959 10.282 3.405 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.824 7.307 2.230 1.00 0.00 C ATOM 0 H ILE A 48 6.634 9.540 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 48 5.016 11.316 1.072 1.00 0.00 H new ATOM 0 HB ILE A 48 6.653 8.938 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.795 9.157 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.104 8.880 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.913 9.521 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.918 10.798 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.152 11.000 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.900 6.733 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.546 6.928 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.232 7.209 3.236 1.00 0.00 H new ATOM 716 N LYS A 49 6.890 12.840 1.027 1.00 0.00 N ATOM 717 CA LYS A 49 7.985 13.794 1.074 1.00 0.00 C ATOM 718 C LYS A 49 8.607 13.781 2.471 1.00 0.00 C ATOM 719 O LYS A 49 8.457 14.738 3.230 1.00 0.00 O ATOM 720 CB LYS A 49 7.509 15.178 0.625 1.00 0.00 C ATOM 721 CG LYS A 49 7.214 15.195 -0.876 1.00 0.00 C ATOM 722 CD LYS A 49 8.471 15.538 -1.678 1.00 0.00 C ATOM 723 CE LYS A 49 8.720 14.503 -2.777 1.00 0.00 C ATOM 724 NZ LYS A 49 9.335 15.142 -3.962 1.00 0.00 N ATOM 0 H LYS A 49 5.960 13.257 1.054 1.00 0.00 H new ATOM 0 HA LYS A 49 8.769 13.509 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.612 15.456 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.271 15.922 0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.834 14.222 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.432 15.924 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.364 16.527 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.332 15.580 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.373 13.715 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.779 14.030 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.497 14.425 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.698 15.878 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.242 15.573 -3.692 1.00 0.00 H new ATOM 738 N ASP A 50 9.293 12.688 2.769 1.00 0.00 N ATOM 739 CA ASP A 50 9.939 12.538 4.062 1.00 0.00 C ATOM 740 C ASP A 50 11.455 12.637 3.884 1.00 0.00 C ATOM 741 O ASP A 50 12.043 13.694 4.109 1.00 0.00 O ATOM 742 CB ASP A 50 9.624 11.174 4.680 1.00 0.00 C ATOM 743 CG ASP A 50 10.666 10.659 5.675 1.00 0.00 C ATOM 744 OD1 ASP A 50 11.253 11.512 6.375 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.851 9.423 5.713 1.00 0.00 O ATOM 0 H ASP A 50 9.416 11.897 2.137 1.00 0.00 H new ATOM 0 HA ASP A 50 9.568 13.326 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.660 11.235 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.518 10.444 3.878 1.00 0.00 H new ATOM 750 N ALA A 51 12.046 11.521 3.482 1.00 0.00 N ATOM 751 CA ALA A 51 13.483 11.469 3.271 1.00 0.00 C ATOM 752 C ALA A 51 13.941 10.009 3.268 1.00 0.00 C ATOM 753 O ALA A 51 14.537 9.544 2.298 1.00 0.00 O ATOM 754 CB ALA A 51 14.187 12.299 4.347 1.00 0.00 C ATOM 0 H ALA A 51 11.556 10.646 3.297 1.00 0.00 H new ATOM 0 HA ALA A 51 13.745 11.899 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.265 12.260 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.849 13.333 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.950 11.895 5.331 1.00 0.00 H new ATOM 760 N GLY A 52 13.645 9.327 4.365 1.00 0.00 N ATOM 761 CA GLY A 52 14.019 7.930 4.501 1.00 0.00 C ATOM 762 C GLY A 52 13.511 7.108 3.315 1.00 0.00 C ATOM 763 O GLY A 52 14.004 6.011 3.058 1.00 0.00 O ATOM 0 H GLY A 52 13.150 9.716 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.104 7.845 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.609 7.529 5.428 1.00 0.00 H new ATOM 767 N ILE A 53 12.530 7.670 2.624 1.00 0.00 N ATOM 768 CA ILE A 53 11.949 7.004 1.471 1.00 0.00 C ATOM 769 C ILE A 53 12.670 7.466 0.203 1.00 0.00 C ATOM 770 O ILE A 53 13.038 8.634 0.085 1.00 0.00 O ATOM 771 CB ILE A 53 10.436 7.221 1.432 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.783 6.770 2.740 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.814 6.535 0.214 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.553 7.621 3.062 1.00 0.00 C ATOM 0 H ILE A 53 12.123 8.580 2.841 1.00 0.00 H new ATOM 0 HA ILE A 53 12.091 5.926 1.543 1.00 0.00 H new ATOM 0 HB ILE A 53 10.247 8.290 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.494 5.722 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.504 6.844 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.737 6.705 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.249 6.946 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.012 5.464 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.108 7.279 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.849 8.665 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.824 7.526 2.257 1.00 0.00 H new ATOM 786 N SER A 54 12.850 6.527 -0.714 1.00 0.00 N ATOM 787 CA SER A 54 13.519 6.823 -1.969 1.00 0.00 C ATOM 788 C SER A 54 12.534 6.693 -3.131 1.00 0.00 C ATOM 789 O SER A 54 11.525 5.998 -3.020 1.00 0.00 O ATOM 790 CB SER A 54 14.720 5.900 -2.184 1.00 0.00 C ATOM 791 OG SER A 54 15.947 6.524 -1.816 1.00 0.00 O ATOM 0 H SER A 54 12.544 5.559 -0.613 1.00 0.00 H new ATOM 0 HA SER A 54 13.887 7.848 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.587 4.990 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.765 5.602 -3.232 1.00 0.00 H new ATOM 0 HG SER A 54 16.689 5.901 -1.967 1.00 0.00 H new ATOM 797 N THR A 55 12.860 7.372 -4.221 1.00 0.00 N ATOM 798 CA THR A 55 12.016 7.341 -5.403 1.00 0.00 C ATOM 799 C THR A 55 11.423 5.945 -5.598 1.00 0.00 C ATOM 800 O THR A 55 10.204 5.785 -5.647 1.00 0.00 O ATOM 801 CB THR A 55 12.852 7.818 -6.593 1.00 0.00 C ATOM 802 OG1 THR A 55 13.949 6.910 -6.633 1.00 0.00 O ATOM 803 CG2 THR A 55 13.503 9.180 -6.343 1.00 0.00 C ATOM 0 H THR A 55 13.698 7.947 -4.310 1.00 0.00 H new ATOM 0 HA THR A 55 11.162 8.010 -5.297 1.00 0.00 H new ATOM 0 HB THR A 55 12.221 7.875 -7.480 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.541 7.145 -7.377 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.084 9.472 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.729 9.925 -6.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.160 9.115 -5.476 1.00 0.00 H new ATOM 811 N LYS A 56 12.312 4.968 -5.705 1.00 0.00 N ATOM 812 CA LYS A 56 11.892 3.590 -5.893 1.00 0.00 C ATOM 813 C LYS A 56 12.226 2.783 -4.637 1.00 0.00 C ATOM 814 O LYS A 56 13.116 1.934 -4.659 1.00 0.00 O ATOM 815 CB LYS A 56 12.500 3.015 -7.174 1.00 0.00 C ATOM 816 CG LYS A 56 11.737 3.498 -8.409 1.00 0.00 C ATOM 817 CD LYS A 56 12.669 4.230 -9.377 1.00 0.00 C ATOM 818 CE LYS A 56 12.032 5.530 -9.874 1.00 0.00 C ATOM 819 NZ LYS A 56 11.588 5.385 -11.279 1.00 0.00 N ATOM 0 H LYS A 56 13.322 5.104 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 56 10.812 3.536 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.546 3.312 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.480 1.926 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.278 2.647 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.928 4.162 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.614 4.450 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.897 3.585 -10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.182 5.790 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.749 6.347 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.158 6.276 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.406 5.158 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.888 4.619 -11.344 1.00 0.00 H new ATOM 833 N HIS A 57 11.494 3.077 -3.572 1.00 0.00 N ATOM 834 CA HIS A 57 11.702 2.389 -2.309 1.00 0.00 C ATOM 835 C HIS A 57 11.247 0.934 -2.437 1.00 0.00 C ATOM 836 O HIS A 57 12.060 0.015 -2.340 1.00 0.00 O ATOM 837 CB HIS A 57 11.004 3.130 -1.166 1.00 0.00 C ATOM 838 CG HIS A 57 11.239 2.519 0.195 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.499 3.279 1.322 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.250 1.216 0.597 1.00 0.00 C ATOM 841 CE1 HIS A 57 11.658 2.459 2.351 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.504 1.181 1.900 1.00 0.00 N ATOM 0 H HIS A 57 10.757 3.782 -3.558 1.00 0.00 H new ATOM 0 HA HIS A 57 12.764 2.381 -2.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.348 4.164 -1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.932 3.153 -1.363 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.081 0.358 -0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.872 2.751 3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.573 0.338 2.470 1.00 0.00 H new ATOM 850 N LEU A 58 9.950 0.769 -2.651 1.00 0.00 N ATOM 851 CA LEU A 58 9.378 -0.559 -2.793 1.00 0.00 C ATOM 852 C LEU A 58 8.094 -0.471 -3.620 1.00 0.00 C ATOM 853 O LEU A 58 7.600 0.622 -3.892 1.00 0.00 O ATOM 854 CB LEU A 58 9.182 -1.207 -1.421 1.00 0.00 C ATOM 855 CG LEU A 58 8.432 -0.369 -0.384 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.215 0.316 -1.009 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.051 -1.214 0.833 1.00 0.00 C ATOM 0 H LEU A 58 9.279 1.533 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 58 10.062 -1.212 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.645 -2.145 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.163 -1.457 -1.016 1.00 0.00 H new ATOM 0 HG LEU A 58 9.100 0.418 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.700 0.905 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.541 0.971 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.536 -0.439 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.519 -0.594 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.409 -2.036 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.953 -1.615 1.295 1.00 0.00 H new ATOM 869 N ARG A 59 7.590 -1.637 -3.998 1.00 0.00 N ATOM 870 CA ARG A 59 6.373 -1.705 -4.789 1.00 0.00 C ATOM 871 C ARG A 59 5.389 -2.695 -4.164 1.00 0.00 C ATOM 872 O ARG A 59 5.798 -3.653 -3.510 1.00 0.00 O ATOM 873 CB ARG A 59 6.674 -2.133 -6.227 1.00 0.00 C ATOM 874 CG ARG A 59 6.837 -3.652 -6.324 1.00 0.00 C ATOM 875 CD ARG A 59 7.460 -4.052 -7.662 1.00 0.00 C ATOM 876 NE ARG A 59 8.243 -5.298 -7.504 1.00 0.00 N ATOM 877 CZ ARG A 59 8.836 -5.946 -8.515 1.00 0.00 C ATOM 878 NH1 ARG A 59 8.739 -5.471 -9.764 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.527 -7.070 -8.278 1.00 0.00 N ATOM 0 H ARG A 59 8.002 -2.542 -3.771 1.00 0.00 H new ATOM 0 HA ARG A 59 5.931 -0.709 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.867 -1.807 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.584 -1.643 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.464 -4.007 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.865 -4.133 -6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.678 -4.196 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.104 -3.252 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 59 8.337 -5.688 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.213 -4.616 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.191 -5.965 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.601 -7.432 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.978 -7.563 -9.048 1.00 0.00 H new ATOM 893 N ILE A 60 4.110 -2.431 -4.388 1.00 0.00 N ATOM 894 CA ILE A 60 3.064 -3.287 -3.855 1.00 0.00 C ATOM 895 C ILE A 60 2.258 -3.881 -5.012 1.00 0.00 C ATOM 896 O ILE A 60 2.003 -3.205 -6.008 1.00 0.00 O ATOM 897 CB ILE A 60 2.211 -2.523 -2.840 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.949 -2.371 -1.508 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.843 -3.185 -2.665 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.212 -1.402 -0.581 1.00 0.00 C ATOM 0 H ILE A 60 3.774 -1.636 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 60 3.499 -4.123 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 60 2.036 -1.519 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.040 -3.344 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.961 -2.009 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.257 -2.622 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.320 -3.198 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.976 -4.207 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.757 -1.312 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.144 -0.424 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.209 -1.779 -0.384 1.00 0.00 H new ATOM 912 N GLU A 61 1.879 -5.139 -4.843 1.00 0.00 N ATOM 913 CA GLU A 61 1.107 -5.832 -5.861 1.00 0.00 C ATOM 914 C GLU A 61 0.296 -6.967 -5.231 1.00 0.00 C ATOM 915 O GLU A 61 0.592 -7.403 -4.120 1.00 0.00 O ATOM 916 CB GLU A 61 2.015 -6.358 -6.974 1.00 0.00 C ATOM 917 CG GLU A 61 3.126 -7.243 -6.403 1.00 0.00 C ATOM 918 CD GLU A 61 4.455 -6.486 -6.348 1.00 0.00 C ATOM 919 OE1 GLU A 61 4.657 -5.765 -5.347 1.00 0.00 O ATOM 920 OE2 GLU A 61 5.239 -6.647 -7.308 1.00 0.00 O ATOM 0 H GLU A 61 2.092 -5.697 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 61 0.413 -5.122 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.424 -6.927 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.455 -5.521 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.852 -7.577 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.237 -8.136 -7.018 1.00 0.00 H new ATOM 927 N SER A 62 -0.710 -7.412 -5.969 1.00 0.00 N ATOM 928 CA SER A 62 -1.565 -8.487 -5.498 1.00 0.00 C ATOM 929 C SER A 62 -1.564 -9.638 -6.506 1.00 0.00 C ATOM 930 O SER A 62 -1.509 -9.409 -7.714 1.00 0.00 O ATOM 931 CB SER A 62 -2.993 -7.992 -5.260 1.00 0.00 C ATOM 932 OG SER A 62 -3.959 -9.013 -5.492 1.00 0.00 O ATOM 0 H SER A 62 -0.952 -7.047 -6.890 1.00 0.00 H new ATOM 0 HA SER A 62 -1.170 -8.845 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.085 -7.632 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.197 -7.145 -5.915 1.00 0.00 H new ATOM 0 HG SER A 62 -4.072 -9.548 -4.678 1.00 0.00 H new ATOM 938 N ASP A 63 -1.626 -10.849 -5.974 1.00 0.00 N ATOM 939 CA ASP A 63 -1.633 -12.036 -6.813 1.00 0.00 C ATOM 940 C ASP A 63 -2.441 -13.137 -6.124 1.00 0.00 C ATOM 941 O ASP A 63 -2.420 -13.254 -4.900 1.00 0.00 O ATOM 942 CB ASP A 63 -0.213 -12.560 -7.036 1.00 0.00 C ATOM 943 CG ASP A 63 -0.130 -13.971 -7.624 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.817 -14.203 -8.642 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.619 -14.785 -7.041 1.00 0.00 O ATOM 0 H ASP A 63 -1.672 -11.035 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.074 -11.768 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.311 -11.874 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.317 -12.548 -6.083 1.00 0.00 H new ATOM 950 N SER A 64 -3.133 -13.918 -6.941 1.00 0.00 N ATOM 951 CA SER A 64 -3.947 -15.006 -6.425 1.00 0.00 C ATOM 952 C SER A 64 -4.919 -14.478 -5.368 1.00 0.00 C ATOM 953 O SER A 64 -4.979 -15.003 -4.258 1.00 0.00 O ATOM 954 CB SER A 64 -3.073 -16.115 -5.836 1.00 0.00 C ATOM 955 OG SER A 64 -3.561 -17.412 -6.170 1.00 0.00 O ATOM 0 H SER A 64 -3.147 -13.819 -7.956 1.00 0.00 H new ATOM 0 HA SER A 64 -4.516 -15.429 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.052 -16.006 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.035 -16.010 -4.752 1.00 0.00 H new ATOM 0 HG SER A 64 -2.976 -18.093 -5.777 1.00 0.00 H new ATOM 961 N GLY A 65 -5.654 -13.444 -5.750 1.00 0.00 N ATOM 962 CA GLY A 65 -6.620 -12.839 -4.849 1.00 0.00 C ATOM 963 C GLY A 65 -5.999 -12.577 -3.476 1.00 0.00 C ATOM 964 O GLY A 65 -6.615 -12.855 -2.448 1.00 0.00 O ATOM 0 H GLY A 65 -5.600 -13.010 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.982 -11.902 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.484 -13.495 -4.742 1.00 0.00 H new ATOM 968 N ASN A 66 -4.786 -12.044 -3.502 1.00 0.00 N ATOM 969 CA ASN A 66 -4.075 -11.741 -2.272 1.00 0.00 C ATOM 970 C ASN A 66 -3.161 -10.535 -2.500 1.00 0.00 C ATOM 971 O ASN A 66 -2.910 -10.148 -3.641 1.00 0.00 O ATOM 972 CB ASN A 66 -3.201 -12.919 -1.836 1.00 0.00 C ATOM 973 CG ASN A 66 -4.044 -14.010 -1.173 1.00 0.00 C ATOM 974 OD1 ASN A 66 -5.061 -13.753 -0.550 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.567 -15.240 -1.342 1.00 0.00 N ATOM 0 H ASN A 66 -4.278 -11.814 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.814 -11.534 -1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.681 -13.331 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.437 -12.572 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.059 -16.038 -0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.710 -15.386 -1.875 1.00 0.00 H new ATOM 982 N TRP A 67 -2.690 -9.973 -1.397 1.00 0.00 N ATOM 983 CA TRP A 67 -1.810 -8.818 -1.462 1.00 0.00 C ATOM 984 C TRP A 67 -0.425 -9.252 -0.978 1.00 0.00 C ATOM 985 O TRP A 67 -0.308 -10.009 -0.016 1.00 0.00 O ATOM 986 CB TRP A 67 -2.383 -7.647 -0.663 1.00 0.00 C ATOM 987 CG TRP A 67 -3.635 -7.022 -1.283 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.917 -7.290 -1.000 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.671 -6.009 -2.310 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.774 -6.526 -1.766 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.992 -5.722 -2.588 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.623 -5.356 -2.982 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.387 -4.777 -3.542 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.034 -4.414 -3.932 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.359 -4.114 -4.224 1.00 0.00 C ATOM 0 H TRP A 67 -2.901 -10.296 -0.453 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.723 -8.456 -2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.621 -7.990 0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.617 -6.878 -0.565 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.239 -8.013 -0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.793 -6.547 -1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.583 -5.565 -2.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.428 -4.570 -3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.267 -3.883 -4.476 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.595 -3.373 -4.973 1.00 0.00 H new ATOM 1006 N VAL A 68 0.591 -8.752 -1.667 1.00 0.00 N ATOM 1007 CA VAL A 68 1.963 -9.078 -1.319 1.00 0.00 C ATOM 1008 C VAL A 68 2.813 -7.806 -1.366 1.00 0.00 C ATOM 1009 O VAL A 68 2.514 -6.883 -2.123 1.00 0.00 O ATOM 1010 CB VAL A 68 2.488 -10.182 -2.239 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.407 -11.230 -2.510 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.024 -9.596 -3.547 1.00 0.00 C ATOM 0 H VAL A 68 0.491 -8.124 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 68 2.017 -9.467 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 68 3.315 -10.678 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.806 -12.003 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.092 -11.680 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.551 -10.754 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.391 -10.401 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.224 -9.063 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.839 -8.905 -3.329 1.00 0.00 H new ATOM 1022 N ILE A 69 3.855 -7.798 -0.548 1.00 0.00 N ATOM 1023 CA ILE A 69 4.749 -6.655 -0.487 1.00 0.00 C ATOM 1024 C ILE A 69 6.172 -7.107 -0.823 1.00 0.00 C ATOM 1025 O ILE A 69 6.564 -8.227 -0.499 1.00 0.00 O ATOM 1026 CB ILE A 69 4.631 -5.954 0.868 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.413 -4.638 0.874 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.062 -6.882 2.005 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.633 -3.541 1.603 1.00 0.00 C ATOM 0 H ILE A 69 4.100 -8.565 0.078 1.00 0.00 H new ATOM 0 HA ILE A 69 4.466 -5.911 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 69 3.583 -5.707 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.378 -4.786 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.615 -4.326 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.968 -6.359 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.426 -7.767 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.099 -7.182 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.210 -2.616 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.679 -3.379 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.454 -3.846 2.634 1.00 0.00 H new ATOM 1041 N GLN A 70 6.906 -6.213 -1.470 1.00 0.00 N ATOM 1042 CA GLN A 70 8.276 -6.506 -1.853 1.00 0.00 C ATOM 1043 C GLN A 70 9.156 -5.269 -1.664 1.00 0.00 C ATOM 1044 O GLN A 70 8.870 -4.208 -2.216 1.00 0.00 O ATOM 1045 CB GLN A 70 8.345 -7.013 -3.295 1.00 0.00 C ATOM 1046 CG GLN A 70 9.732 -7.575 -3.613 1.00 0.00 C ATOM 1047 CD GLN A 70 9.689 -9.099 -3.745 1.00 0.00 C ATOM 1048 OE1 GLN A 70 8.712 -9.546 -4.528 1.00 0.00 O flip ATOM 1049 NE2 GLN A 70 10.489 -9.820 -3.173 1.00 0.00 N flip ATOM 0 H GLN A 70 6.577 -5.286 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 70 8.653 -7.298 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.592 -7.786 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.112 -6.199 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.102 -7.136 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.431 -7.294 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.216 -9.411 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.432 -10.833 -3.282 1.00 0.00 H new ATOM 1058 N ASP A 71 10.211 -5.447 -0.881 1.00 0.00 N ATOM 1059 CA ASP A 71 11.135 -4.358 -0.612 1.00 0.00 C ATOM 1060 C ASP A 71 12.167 -4.281 -1.739 1.00 0.00 C ATOM 1061 O ASP A 71 13.058 -5.124 -1.828 1.00 0.00 O ATOM 1062 CB ASP A 71 11.885 -4.585 0.702 1.00 0.00 C ATOM 1063 CG ASP A 71 13.209 -3.828 0.829 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.188 -2.603 0.585 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.212 -4.492 1.169 1.00 0.00 O ATOM 0 H ASP A 71 10.446 -6.329 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 71 10.559 -3.435 -0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.236 -4.294 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.081 -5.652 0.811 1.00 0.00 H new ATOM 1070 N LEU A 72 12.012 -3.261 -2.571 1.00 0.00 N ATOM 1071 CA LEU A 72 12.920 -3.063 -3.688 1.00 0.00 C ATOM 1072 C LEU A 72 14.276 -2.591 -3.160 1.00 0.00 C ATOM 1073 O LEU A 72 14.745 -1.513 -3.521 1.00 0.00 O ATOM 1074 CB LEU A 72 12.300 -2.120 -4.721 1.00 0.00 C ATOM 1075 CG LEU A 72 11.111 -2.675 -5.508 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.276 -3.622 -4.645 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.267 -1.543 -6.098 1.00 0.00 C ATOM 0 H LEU A 72 11.272 -2.564 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 72 13.091 -4.004 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.980 -1.213 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.075 -1.829 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 72 11.498 -3.258 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.438 -4.002 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.896 -4.456 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.899 -3.084 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.429 -1.965 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.889 -0.913 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.881 -0.943 -6.770 1.00 0.00 H new ATOM 1089 N GLY A 73 14.868 -3.422 -2.315 1.00 0.00 N ATOM 1090 CA GLY A 73 16.161 -3.103 -1.734 1.00 0.00 C ATOM 1091 C GLY A 73 16.293 -1.600 -1.482 1.00 0.00 C ATOM 1092 O GLY A 73 17.244 -0.971 -1.945 1.00 0.00 O ATOM 0 H GLY A 73 14.476 -4.316 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.286 -3.645 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.956 -3.434 -2.402 1.00 0.00 H new ATOM 1096 N SER A 74 15.326 -1.067 -0.750 1.00 0.00 N ATOM 1097 CA SER A 74 15.323 0.351 -0.432 1.00 0.00 C ATOM 1098 C SER A 74 16.457 0.671 0.544 1.00 0.00 C ATOM 1099 O SER A 74 17.264 -0.198 0.870 1.00 0.00 O ATOM 1100 CB SER A 74 13.978 0.780 0.158 1.00 0.00 C ATOM 1101 OG SER A 74 13.711 0.137 1.401 1.00 0.00 O ATOM 0 H SER A 74 14.539 -1.591 -0.368 1.00 0.00 H new ATOM 0 HA SER A 74 15.479 0.909 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.973 1.861 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.181 0.548 -0.549 1.00 0.00 H new ATOM 0 HG SER A 74 13.074 0.674 1.917 1.00 0.00 H new ATOM 1139 N THR A 78 12.904 -2.178 4.833 1.00 0.00 N ATOM 1140 CA THR A 78 11.504 -2.040 5.196 1.00 0.00 C ATOM 1141 C THR A 78 11.178 -2.917 6.406 1.00 0.00 C ATOM 1142 O THR A 78 11.732 -4.005 6.556 1.00 0.00 O ATOM 1143 CB THR A 78 10.661 -2.369 3.962 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.232 -1.572 2.928 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.225 -1.854 4.079 1.00 0.00 C ATOM 0 HA THR A 78 11.273 -1.020 5.502 1.00 0.00 H new ATOM 0 HB THR A 78 10.648 -3.448 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.195 -1.475 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.671 -2.114 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.744 -2.310 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.236 -0.771 4.199 1.00 0.00 H new ATOM 1153 N LEU A 79 10.280 -2.411 7.238 1.00 0.00 N ATOM 1154 CA LEU A 79 9.873 -3.135 8.431 1.00 0.00 C ATOM 1155 C LEU A 79 8.387 -3.485 8.328 1.00 0.00 C ATOM 1156 O LEU A 79 7.592 -2.690 7.830 1.00 0.00 O ATOM 1157 CB LEU A 79 10.232 -2.341 9.688 1.00 0.00 C ATOM 1158 CG LEU A 79 11.702 -2.383 10.111 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.002 -1.310 11.160 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.094 -3.781 10.593 1.00 0.00 C ATOM 0 H LEU A 79 9.823 -1.508 7.110 1.00 0.00 H new ATOM 0 HA LEU A 79 10.418 -4.076 8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.950 -1.300 9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.626 -2.713 10.514 1.00 0.00 H new ATOM 0 HG LEU A 79 12.315 -2.160 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.053 -1.362 11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.786 -0.325 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.381 -1.477 12.040 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.143 -3.783 10.888 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.477 -4.058 11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.942 -4.500 9.788 1.00 0.00 H new ATOM 1172 N LEU A 80 8.058 -4.675 8.807 1.00 0.00 N ATOM 1173 CA LEU A 80 6.681 -5.140 8.776 1.00 0.00 C ATOM 1174 C LEU A 80 6.264 -5.582 10.180 1.00 0.00 C ATOM 1175 O LEU A 80 6.671 -6.645 10.646 1.00 0.00 O ATOM 1176 CB LEU A 80 6.507 -6.226 7.712 1.00 0.00 C ATOM 1177 CG LEU A 80 5.065 -6.558 7.323 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.290 -5.291 6.954 1.00 0.00 C ATOM 1179 CD2 LEU A 80 5.025 -7.601 6.204 1.00 0.00 C ATOM 0 H LEU A 80 8.721 -5.332 9.219 1.00 0.00 H new ATOM 0 HA LEU A 80 6.012 -4.330 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.043 -5.917 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.985 -7.138 8.070 1.00 0.00 H new ATOM 0 HG LEU A 80 4.570 -6.996 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.268 -5.556 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.274 -4.613 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.775 -4.801 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.988 -7.819 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.543 -7.213 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.515 -8.515 6.541 1.00 0.00 H new ATOM 1191 N ASN A 81 5.458 -4.744 10.814 1.00 0.00 N ATOM 1192 CA ASN A 81 4.981 -5.035 12.156 1.00 0.00 C ATOM 1193 C ASN A 81 6.168 -5.049 13.122 1.00 0.00 C ATOM 1194 O ASN A 81 6.331 -4.130 13.923 1.00 0.00 O ATOM 1195 CB ASN A 81 4.307 -6.407 12.215 1.00 0.00 C ATOM 1196 CG ASN A 81 3.060 -6.443 11.330 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.023 -5.885 11.649 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.218 -7.130 10.202 1.00 0.00 N ATOM 0 H ASN A 81 5.123 -3.863 10.424 1.00 0.00 H new ATOM 0 HA ASN A 81 4.259 -4.266 12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.009 -7.175 11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.034 -6.638 13.245 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.444 -7.214 9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.113 -7.573 9.996 1.00 0.00 H new ATOM 1205 N SER A 82 6.965 -6.101 13.014 1.00 0.00 N ATOM 1206 CA SER A 82 8.132 -6.247 13.868 1.00 0.00 C ATOM 1207 C SER A 82 9.138 -7.201 13.222 1.00 0.00 C ATOM 1208 O SER A 82 9.409 -8.276 13.754 1.00 0.00 O ATOM 1209 CB SER A 82 7.737 -6.752 15.257 1.00 0.00 C ATOM 1210 OG SER A 82 7.705 -5.701 16.218 1.00 0.00 O ATOM 0 H SER A 82 6.826 -6.861 12.348 1.00 0.00 H new ATOM 0 HA SER A 82 8.595 -5.267 13.985 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.757 -7.226 15.205 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.444 -7.517 15.579 1.00 0.00 H new ATOM 0 HG SER A 82 7.285 -4.909 15.823 1.00 0.00 H new ATOM 1216 N ASN A 83 9.663 -6.774 12.083 1.00 0.00 N ATOM 1217 CA ASN A 83 10.633 -7.577 11.358 1.00 0.00 C ATOM 1218 C ASN A 83 11.034 -6.849 10.074 1.00 0.00 C ATOM 1219 O ASN A 83 10.182 -6.308 9.371 1.00 0.00 O ATOM 1220 CB ASN A 83 10.044 -8.934 10.968 1.00 0.00 C ATOM 1221 CG ASN A 83 11.112 -10.028 11.009 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.590 -10.426 12.058 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.458 -10.491 9.811 1.00 0.00 N ATOM 0 H ASN A 83 9.435 -5.882 11.644 1.00 0.00 H new ATOM 0 HA ASN A 83 11.495 -7.731 12.007 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.230 -9.190 11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.617 -8.875 9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.163 -11.224 9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.018 -10.113 8.972 1.00 0.00 H new ATOM 1230 N ALA A 84 12.332 -6.859 9.806 1.00 0.00 N ATOM 1231 CA ALA A 84 12.856 -6.206 8.619 1.00 0.00 C ATOM 1232 C ALA A 84 12.641 -7.114 7.406 1.00 0.00 C ATOM 1233 O ALA A 84 13.133 -8.241 7.375 1.00 0.00 O ATOM 1234 CB ALA A 84 14.331 -5.861 8.835 1.00 0.00 C ATOM 0 H ALA A 84 13.036 -7.309 10.391 1.00 0.00 H new ATOM 0 HA ALA A 84 12.327 -5.272 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.724 -5.371 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.427 -5.191 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.894 -6.775 9.025 1.00 0.00 H new ATOM 1240 N LEU A 85 11.906 -6.589 6.437 1.00 0.00 N ATOM 1241 CA LEU A 85 11.620 -7.338 5.225 1.00 0.00 C ATOM 1242 C LEU A 85 12.923 -7.580 4.461 1.00 0.00 C ATOM 1243 O LEU A 85 13.986 -7.126 4.881 1.00 0.00 O ATOM 1244 CB LEU A 85 10.545 -6.629 4.399 1.00 0.00 C ATOM 1245 CG LEU A 85 9.193 -6.430 5.086 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.295 -5.499 4.270 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.518 -7.774 5.368 1.00 0.00 C ATOM 0 H LEU A 85 11.500 -5.654 6.466 1.00 0.00 H new ATOM 0 HA LEU A 85 11.207 -8.317 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.927 -5.652 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.384 -7.198 3.483 1.00 0.00 H new ATOM 0 HG LEU A 85 9.367 -5.948 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.340 -5.375 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.779 -4.528 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.125 -5.930 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.559 -7.604 5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.358 -8.305 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.156 -8.372 6.019 1.00 0.00 H new ATOM 1259 N ASP A 86 12.798 -8.296 3.353 1.00 0.00 N ATOM 1260 CA ASP A 86 13.952 -8.605 2.527 1.00 0.00 C ATOM 1261 C ASP A 86 13.607 -8.345 1.059 1.00 0.00 C ATOM 1262 O ASP A 86 12.450 -8.462 0.660 1.00 0.00 O ATOM 1263 CB ASP A 86 14.352 -10.075 2.666 1.00 0.00 C ATOM 1264 CG ASP A 86 15.845 -10.321 2.890 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.409 -9.630 3.766 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.389 -11.195 2.181 1.00 0.00 O ATOM 0 H ASP A 86 11.914 -8.671 3.008 1.00 0.00 H new ATOM 0 HA ASP A 86 14.779 -7.975 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.799 -10.509 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.043 -10.607 1.766 1.00 0.00 H new ATOM 1271 N PRO A 87 14.660 -7.987 0.276 1.00 0.00 N ATOM 1272 CA PRO A 87 14.480 -7.710 -1.139 1.00 0.00 C ATOM 1273 C PRO A 87 14.286 -9.005 -1.931 1.00 0.00 C ATOM 1274 O PRO A 87 13.509 -9.043 -2.884 1.00 0.00 O ATOM 1275 CB PRO A 87 15.726 -6.943 -1.551 1.00 0.00 C ATOM 1276 CG PRO A 87 16.763 -7.222 -0.474 1.00 0.00 C ATOM 1277 CD PRO A 87 16.045 -7.839 0.715 1.00 0.00 C ATOM 0 HA PRO A 87 13.583 -7.125 -1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.080 -7.270 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.520 -5.875 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.531 -7.898 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.266 -6.301 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.480 -8.801 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.115 -7.200 1.595 1.00 0.00 H new ATOM 1285 N GLU A 88 15.005 -10.034 -1.507 1.00 0.00 N ATOM 1286 CA GLU A 88 14.921 -11.327 -2.165 1.00 0.00 C ATOM 1287 C GLU A 88 13.845 -12.190 -1.504 1.00 0.00 C ATOM 1288 O GLU A 88 13.964 -13.413 -1.462 1.00 0.00 O ATOM 1289 CB GLU A 88 16.277 -12.036 -2.154 1.00 0.00 C ATOM 1290 CG GLU A 88 17.320 -11.239 -2.940 1.00 0.00 C ATOM 1291 CD GLU A 88 18.448 -12.148 -3.432 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.220 -12.833 -4.453 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.512 -12.138 -2.777 1.00 0.00 O ATOM 0 H GLU A 88 15.648 -9.999 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 88 14.640 -11.166 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.614 -12.168 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.174 -13.032 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.844 -10.751 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.732 -10.451 -2.309 1.00 0.00 H new ATOM 1300 N THR A 89 12.818 -11.519 -1.003 1.00 0.00 N ATOM 1301 CA THR A 89 11.721 -12.209 -0.346 1.00 0.00 C ATOM 1302 C THR A 89 10.431 -11.396 -0.466 1.00 0.00 C ATOM 1303 O THR A 89 10.460 -10.167 -0.410 1.00 0.00 O ATOM 1304 CB THR A 89 12.135 -12.484 1.101 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.403 -13.123 0.984 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.249 -13.534 1.774 1.00 0.00 C ATOM 0 H THR A 89 12.723 -10.504 -1.039 1.00 0.00 H new ATOM 0 HA THR A 89 11.510 -13.165 -0.826 1.00 0.00 H new ATOM 0 HB THR A 89 12.096 -11.556 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.746 -13.335 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.586 -13.692 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.216 -13.188 1.781 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.314 -14.472 1.223 1.00 0.00 H new ATOM 1314 N SER A 90 9.329 -12.114 -0.628 1.00 0.00 N ATOM 1315 CA SER A 90 8.031 -11.474 -0.756 1.00 0.00 C ATOM 1316 C SER A 90 7.047 -12.082 0.245 1.00 0.00 C ATOM 1317 O SER A 90 6.909 -13.302 0.322 1.00 0.00 O ATOM 1318 CB SER A 90 7.489 -11.608 -2.181 1.00 0.00 C ATOM 1319 OG SER A 90 7.359 -12.970 -2.577 1.00 0.00 O ATOM 0 H SER A 90 9.309 -13.133 -0.674 1.00 0.00 H new ATOM 0 HA SER A 90 8.150 -10.412 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.518 -11.117 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.155 -11.092 -2.872 1.00 0.00 H new ATOM 0 HG SER A 90 7.175 -13.524 -1.789 1.00 0.00 H new ATOM 1325 N VAL A 91 6.389 -11.204 0.988 1.00 0.00 N ATOM 1326 CA VAL A 91 5.422 -11.639 1.981 1.00 0.00 C ATOM 1327 C VAL A 91 4.016 -11.244 1.525 1.00 0.00 C ATOM 1328 O VAL A 91 3.860 -10.404 0.641 1.00 0.00 O ATOM 1329 CB VAL A 91 5.788 -11.069 3.353 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.011 -11.776 4.465 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.296 -11.155 3.597 1.00 0.00 C ATOM 0 H VAL A 91 6.507 -10.193 0.922 1.00 0.00 H new ATOM 0 HA VAL A 91 5.438 -12.724 2.080 1.00 0.00 H new ATOM 0 HB VAL A 91 5.506 -10.016 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.290 -11.352 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.941 -11.640 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.248 -12.840 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.530 -10.743 4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.612 -12.197 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.822 -10.586 2.830 1.00 0.00 H new ATOM 1341 N ASN A 92 3.029 -11.868 2.150 1.00 0.00 N ATOM 1342 CA ASN A 92 1.641 -11.592 1.820 1.00 0.00 C ATOM 1343 C ASN A 92 1.073 -10.585 2.822 1.00 0.00 C ATOM 1344 O ASN A 92 0.938 -10.891 4.006 1.00 0.00 O ATOM 1345 CB ASN A 92 0.793 -12.863 1.895 1.00 0.00 C ATOM 1346 CG ASN A 92 0.753 -13.412 3.323 1.00 0.00 C ATOM 1347 OD1 ASN A 92 1.746 -13.445 4.031 1.00 0.00 O ATOM 1348 ND2 ASN A 92 -0.447 -13.839 3.705 1.00 0.00 N ATOM 0 H ASN A 92 3.163 -12.564 2.883 1.00 0.00 H new ATOM 0 HA ASN A 92 1.609 -11.197 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.220 -12.649 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.202 -13.617 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.578 -14.223 4.641 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.237 -13.783 3.062 1.00 0.00 H new ATOM 1355 N LEU A 93 0.756 -9.404 2.311 1.00 0.00 N ATOM 1356 CA LEU A 93 0.206 -8.351 3.147 1.00 0.00 C ATOM 1357 C LEU A 93 -0.921 -8.924 4.008 1.00 0.00 C ATOM 1358 O LEU A 93 -1.575 -9.890 3.617 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.220 -7.156 2.292 1.00 0.00 C ATOM 1360 CG LEU A 93 0.910 -6.262 1.777 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.394 -5.277 0.726 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.615 -5.550 2.933 1.00 0.00 C ATOM 0 H LEU A 93 0.870 -9.154 1.329 1.00 0.00 H new ATOM 0 HA LEU A 93 0.966 -7.971 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.780 -7.529 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.904 -6.542 2.877 1.00 0.00 H new ATOM 0 HG LEU A 93 1.651 -6.895 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.217 -4.654 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.026 -5.829 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.378 -4.646 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.414 -4.921 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.897 -4.931 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.037 -6.290 3.613 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.113 -8.305 5.164 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.150 -8.743 6.083 1.00 0.00 C ATOM 1376 C GLY A 94 -2.833 -7.546 6.748 1.00 0.00 C ATOM 1377 O GLY A 94 -2.229 -6.485 6.896 1.00 0.00 O ATOM 0 H GLY A 94 -0.568 -7.504 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.890 -9.337 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.716 -9.389 6.846 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.084 -7.757 7.131 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.856 -6.709 7.777 1.00 0.00 C ATOM 1383 C ASP A 95 -4.268 -6.427 9.161 1.00 0.00 C ATOM 1384 O ASP A 95 -4.197 -7.322 10.002 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.315 -7.132 7.960 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.037 -6.473 9.136 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -6.733 -5.288 9.396 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.876 -7.168 9.749 1.00 0.00 O ATOM 0 H ASP A 95 -4.582 -8.638 7.006 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.815 -5.822 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.861 -6.904 7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.350 -8.213 8.092 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.861 -5.181 9.354 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.282 -4.771 10.622 1.00 0.00 C ATOM 1395 C GLY A 96 -1.755 -4.859 10.580 1.00 0.00 C ATOM 1396 O GLY A 96 -1.102 -4.875 11.623 1.00 0.00 O ATOM 0 H GLY A 96 -3.921 -4.442 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.585 -3.749 10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.665 -5.404 11.423 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.230 -4.913 9.365 1.00 0.00 N ATOM 1401 CA ASP A 97 0.208 -4.999 9.175 1.00 0.00 C ATOM 1402 C ASP A 97 0.792 -3.587 9.092 1.00 0.00 C ATOM 1403 O ASP A 97 0.438 -2.816 8.202 1.00 0.00 O ATOM 1404 CB ASP A 97 0.549 -5.728 7.873 1.00 0.00 C ATOM 1405 CG ASP A 97 0.207 -7.219 7.860 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.592 -7.627 8.731 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.752 -7.918 6.978 1.00 0.00 O ATOM 0 H ASP A 97 -1.774 -4.899 8.503 1.00 0.00 H new ATOM 0 HA ASP A 97 0.627 -5.549 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.021 -5.242 7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.615 -5.613 7.678 1.00 0.00 H new ATOM 1412 N VAL A 98 1.678 -3.292 10.032 1.00 0.00 N ATOM 1413 CA VAL A 98 2.314 -1.986 10.077 1.00 0.00 C ATOM 1414 C VAL A 98 3.571 -2.007 9.205 1.00 0.00 C ATOM 1415 O VAL A 98 4.444 -2.854 9.388 1.00 0.00 O ATOM 1416 CB VAL A 98 2.600 -1.593 11.528 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.706 -0.539 11.603 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.328 -1.103 12.223 1.00 0.00 C ATOM 0 H VAL A 98 1.970 -3.935 10.768 1.00 0.00 H new ATOM 0 HA VAL A 98 1.649 -1.223 9.673 1.00 0.00 H new ATOM 0 HB VAL A 98 2.949 -2.482 12.054 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.889 -0.278 12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.620 -0.938 11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.398 0.351 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.558 -0.830 13.253 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.937 -0.233 11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.581 -1.897 12.216 1.00 0.00 H new ATOM 1428 N ILE A 99 3.623 -1.064 8.276 1.00 0.00 N ATOM 1429 CA ILE A 99 4.759 -0.963 7.375 1.00 0.00 C ATOM 1430 C ILE A 99 5.595 0.262 7.751 1.00 0.00 C ATOM 1431 O ILE A 99 5.246 1.388 7.400 1.00 0.00 O ATOM 1432 CB ILE A 99 4.289 -0.963 5.919 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.355 -2.143 5.644 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.480 -0.939 4.959 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.786 -2.074 4.226 1.00 0.00 C ATOM 0 H ILE A 99 2.897 -0.363 8.128 1.00 0.00 H new ATOM 0 HA ILE A 99 5.406 -1.835 7.477 1.00 0.00 H new ATOM 0 HB ILE A 99 3.716 -0.052 5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.897 -3.079 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.539 -2.142 6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.119 -0.939 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.071 -0.041 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.100 -1.820 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.126 -2.925 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.224 -1.148 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.603 -2.100 3.505 1.00 0.00 H new ATOM 1447 N LYS A 100 6.684 0.001 8.460 1.00 0.00 N ATOM 1448 CA LYS A 100 7.573 1.068 8.887 1.00 0.00 C ATOM 1449 C LYS A 100 8.704 1.221 7.869 1.00 0.00 C ATOM 1450 O LYS A 100 9.621 0.402 7.826 1.00 0.00 O ATOM 1451 CB LYS A 100 8.060 0.819 10.316 1.00 0.00 C ATOM 1452 CG LYS A 100 7.138 1.491 11.335 1.00 0.00 C ATOM 1453 CD LYS A 100 7.055 0.671 12.624 1.00 0.00 C ATOM 1454 CE LYS A 100 7.862 1.328 13.745 1.00 0.00 C ATOM 1455 NZ LYS A 100 7.595 0.657 15.037 1.00 0.00 N ATOM 0 H LYS A 100 6.971 -0.934 8.749 1.00 0.00 H new ATOM 0 HA LYS A 100 7.041 2.019 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.100 -0.253 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.074 1.202 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.507 2.492 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.142 1.607 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.014 0.573 12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.430 -0.336 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.926 1.276 13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.603 2.384 13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.151 1.115 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.582 0.729 15.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.864 -0.345 14.970 1.00 0.00 H new ATOM 1469 N LEU A 101 8.604 2.277 7.075 1.00 0.00 N ATOM 1470 CA LEU A 101 9.607 2.548 6.060 1.00 0.00 C ATOM 1471 C LEU A 101 10.136 3.973 6.239 1.00 0.00 C ATOM 1472 O LEU A 101 9.488 4.804 6.874 1.00 0.00 O ATOM 1473 CB LEU A 101 9.046 2.272 4.664 1.00 0.00 C ATOM 1474 CG LEU A 101 7.954 3.227 4.179 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.011 3.400 2.660 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.573 2.767 4.652 1.00 0.00 C ATOM 0 H LEU A 101 7.843 2.955 7.114 1.00 0.00 H new ATOM 0 HA LEU A 101 10.456 1.875 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.870 2.302 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.647 1.258 4.648 1.00 0.00 H new ATOM 0 HG LEU A 101 8.136 4.206 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.224 4.084 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.982 3.807 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.868 2.433 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.815 3.463 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.366 1.772 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.553 2.738 5.741 1.00 0.00 H new ATOM 1488 N GLY A 102 11.307 4.211 5.669 1.00 0.00 N ATOM 1489 CA GLY A 102 11.930 5.521 5.758 1.00 0.00 C ATOM 1490 C GLY A 102 12.516 5.756 7.152 1.00 0.00 C ATOM 1491 O GLY A 102 13.174 4.879 7.709 1.00 0.00 O ATOM 0 H GLY A 102 11.841 3.519 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.718 5.604 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.194 6.293 5.534 1.00 0.00 H new ATOM 1495 N GLU A 103 12.254 6.945 7.676 1.00 0.00 N ATOM 1496 CA GLU A 103 12.747 7.306 8.994 1.00 0.00 C ATOM 1497 C GLU A 103 11.672 7.049 10.052 1.00 0.00 C ATOM 1498 O GLU A 103 11.816 6.157 10.885 1.00 0.00 O ATOM 1499 CB GLU A 103 13.210 8.764 9.026 1.00 0.00 C ATOM 1500 CG GLU A 103 14.175 9.058 7.875 1.00 0.00 C ATOM 1501 CD GLU A 103 14.650 10.512 7.916 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.669 10.757 8.597 1.00 0.00 O ATOM 1503 OE2 GLU A 103 13.984 11.345 7.265 1.00 0.00 O ATOM 0 H GLU A 103 11.707 7.670 7.212 1.00 0.00 H new ATOM 0 HA GLU A 103 13.610 6.680 9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.346 9.425 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.699 8.973 9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.034 8.389 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.683 8.859 6.923 1.00 0.00 H new ATOM 1510 N TYR A 104 10.617 7.849 9.983 1.00 0.00 N ATOM 1511 CA TYR A 104 9.518 7.719 10.924 1.00 0.00 C ATOM 1512 C TYR A 104 8.176 7.637 10.193 1.00 0.00 C ATOM 1513 O TYR A 104 7.213 8.299 10.578 1.00 0.00 O ATOM 1514 CB TYR A 104 9.542 8.988 11.779 1.00 0.00 C ATOM 1515 CG TYR A 104 10.767 9.101 12.689 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.841 8.347 13.843 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.797 9.958 12.357 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.993 8.454 14.700 1.00 0.00 C ATOM 1519 CE2 TYR A 104 12.949 10.064 13.214 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.990 9.307 14.343 1.00 0.00 C ATOM 1521 OH TYR A 104 14.079 9.408 15.153 1.00 0.00 O ATOM 0 H TYR A 104 10.501 8.589 9.290 1.00 0.00 H new ATOM 0 HA TYR A 104 9.628 6.812 11.518 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.508 9.857 11.122 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.642 9.017 12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.035 7.677 14.103 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.739 10.549 11.455 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.064 7.870 15.606 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.762 10.730 12.966 1.00 0.00 H new ATOM 0 HH TYR A 104 14.711 10.054 14.773 1.00 0.00 H new ATOM 1531 N THR A 105 8.156 6.820 9.150 1.00 0.00 N ATOM 1532 CA THR A 105 6.949 6.643 8.361 1.00 0.00 C ATOM 1533 C THR A 105 6.403 5.224 8.533 1.00 0.00 C ATOM 1534 O THR A 105 7.121 4.249 8.320 1.00 0.00 O ATOM 1535 CB THR A 105 7.277 6.996 6.909 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.195 8.419 6.870 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.192 6.534 5.934 1.00 0.00 C ATOM 0 H THR A 105 8.957 6.273 8.833 1.00 0.00 H new ATOM 0 HA THR A 105 6.154 7.307 8.700 1.00 0.00 H new ATOM 0 HB THR A 105 8.230 6.544 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.395 8.734 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.475 6.809 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.081 5.452 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.246 7.011 6.190 1.00 0.00 H new ATOM 1545 N SER A 106 5.136 5.155 8.915 1.00 0.00 N ATOM 1546 CA SER A 106 4.486 3.871 9.118 1.00 0.00 C ATOM 1547 C SER A 106 3.173 3.821 8.334 1.00 0.00 C ATOM 1548 O SER A 106 2.431 4.801 8.295 1.00 0.00 O ATOM 1549 CB SER A 106 4.227 3.613 10.604 1.00 0.00 C ATOM 1550 OG SER A 106 5.430 3.632 11.366 1.00 0.00 O ATOM 0 H SER A 106 4.543 5.966 9.089 1.00 0.00 H new ATOM 0 HA SER A 106 5.151 3.089 8.752 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.542 4.368 10.989 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.737 2.647 10.724 1.00 0.00 H new ATOM 0 HG SER A 106 5.287 3.165 12.216 1.00 0.00 H new ATOM 1556 N ILE A 107 2.926 2.668 7.729 1.00 0.00 N ATOM 1557 CA ILE A 107 1.716 2.477 6.948 1.00 0.00 C ATOM 1558 C ILE A 107 0.971 1.244 7.462 1.00 0.00 C ATOM 1559 O ILE A 107 1.552 0.164 7.570 1.00 0.00 O ATOM 1560 CB ILE A 107 2.045 2.419 5.455 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.062 3.497 5.075 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.773 2.507 4.609 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.618 3.255 3.670 1.00 0.00 C ATOM 0 H ILE A 107 3.543 1.857 7.764 1.00 0.00 H new ATOM 0 HA ILE A 107 1.046 3.328 7.070 1.00 0.00 H new ATOM 0 HB ILE A 107 2.505 1.454 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.590 4.479 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.878 3.503 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.035 2.464 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.115 1.674 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.262 3.447 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.338 4.035 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.110 2.283 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.802 3.274 2.948 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.303 1.444 7.766 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.132 0.361 8.267 1.00 0.00 C ATOM 1577 C LEU A 108 -1.909 -0.259 7.104 1.00 0.00 C ATOM 1578 O LEU A 108 -2.491 0.456 6.290 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.023 0.853 9.409 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.362 -0.178 10.487 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.021 0.489 11.696 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.223 -1.306 9.915 1.00 0.00 C ATOM 0 H LEU A 108 -0.781 2.340 7.675 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.513 -0.428 8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.532 1.701 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.955 1.223 8.982 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.432 -0.627 10.835 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.252 -0.266 12.447 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.340 1.227 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.941 0.982 11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.450 -2.025 10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.152 -0.892 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.681 -1.806 9.112 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.894 -1.584 7.065 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.590 -2.309 6.015 1.00 0.00 C ATOM 1596 C VAL A 109 -3.956 -2.763 6.535 1.00 0.00 C ATOM 1597 O VAL A 109 -4.035 -3.555 7.473 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.725 -3.468 5.517 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.509 -4.365 4.558 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.443 -2.952 4.861 1.00 0.00 C ATOM 0 H VAL A 109 -1.411 -2.174 7.743 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.767 -1.661 5.156 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.441 -4.069 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.871 -5.181 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.379 -4.774 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.837 -3.780 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.154 -3.796 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.698 -2.317 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.130 -2.375 5.587 1.00 0.00 H new ATOM 1610 N ASN A 110 -4.997 -2.242 5.903 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.355 -2.584 6.289 1.00 0.00 C ATOM 1612 C ASN A 110 -7.104 -3.133 5.074 1.00 0.00 C ATOM 1613 O ASN A 110 -7.167 -2.481 4.032 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.111 -1.353 6.794 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.150 -1.322 8.323 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -5.995 -1.640 8.900 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.162 -1.029 8.938 1.00 0.00 N flip ATOM 0 H ASN A 110 -4.927 -1.585 5.126 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.302 -3.326 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.631 -0.449 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.128 -1.360 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.016 -0.795 8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.154 -1.018 9.958 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.654 -4.326 5.246 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.396 -4.970 4.176 1.00 0.00 C ATOM 1626 C PHE A 111 -9.856 -4.512 4.169 1.00 0.00 C ATOM 1627 O PHE A 111 -10.605 -4.800 5.102 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.347 -6.476 4.441 1.00 0.00 C ATOM 1629 CG PHE A 111 -6.998 -7.121 4.117 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.292 -6.710 3.030 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.506 -8.105 4.916 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.040 -7.309 2.729 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.254 -8.704 4.615 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.547 -8.293 3.528 1.00 0.00 C ATOM 0 H PHE A 111 -7.600 -4.864 6.111 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.958 -4.713 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.583 -6.658 5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.123 -6.964 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.683 -5.928 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.067 -8.431 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.479 -6.983 1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.863 -9.486 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.595 -8.748 3.300 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.218 -3.808 3.107 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.575 -3.308 2.966 1.00 0.00 C ATOM 1646 C VAL A 112 -12.411 -4.327 2.190 1.00 0.00 C ATOM 1647 O VAL A 112 -12.050 -4.715 1.080 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.558 -1.926 2.311 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -10.948 -0.882 3.248 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.816 -1.962 0.973 1.00 0.00 C ATOM 0 H VAL A 112 -9.595 -3.572 2.335 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.040 -3.184 3.944 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.590 -1.637 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.948 0.091 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.537 -0.827 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.924 -1.166 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.819 -0.967 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.787 -2.284 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.313 -2.661 0.300 1.00 0.00 H new