USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 34:sc= 0.177 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 THR OG1 : rot -120:sc= 0.43 USER MOD Single : A 20 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc=-0.00287 X(o=-0.0029,f=0) USER MOD Single : A 33 TYR OH : rot 88:sc= -0.275 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 55:sc= 0.0113 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-0.8) USER MOD Single : A 47 GLN : amide:sc= -1.01 X(o=-1,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 99:sc= 3.02 USER MOD Single : A 59 SER OG : rot -89:sc= 1.74 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.420 1.374 -9.717 1.00 3.21 N ATOM 104 CA THR A 9 17.814 1.740 -9.500 1.00 1.40 C ATOM 105 C THR A 9 17.925 3.084 -8.789 1.00 3.13 C ATOM 106 O THR A 9 17.057 3.945 -8.928 1.00 11.40 O ATOM 107 CB THR A 9 18.590 1.810 -10.829 1.00 11.11 C ATOM 108 OG1 THR A 9 18.361 0.621 -11.593 1.00 33.01 O ATOM 109 CG2 THR A 9 20.081 1.978 -10.577 1.00 32.30 C ATOM 0 HA THR A 9 18.251 0.963 -8.873 1.00 1.40 H new ATOM 0 HB THR A 9 18.233 2.675 -11.388 1.00 11.11 H new ATOM 0 HG1 THR A 9 17.448 0.301 -11.435 1.00 33.01 H new ATOM 0 HG21 THR A 9 20.608 2.025 -11.530 1.00 32.30 H new ATOM 0 HG22 THR A 9 20.254 2.899 -10.021 1.00 32.30 H new ATOM 0 HG23 THR A 9 20.450 1.130 -10.000 1.00 32.30 H new ATOM 117 N VAL A 10 19.000 3.258 -8.026 1.00 21.51 N ATOM 118 CA VAL A 10 19.226 4.498 -7.294 1.00 11.02 C ATOM 119 C VAL A 10 20.516 5.174 -7.743 1.00 4.12 C ATOM 120 O VAL A 10 21.423 4.523 -8.261 1.00 63.24 O ATOM 121 CB VAL A 10 19.291 4.250 -5.775 1.00 72.51 C ATOM 122 CG1 VAL A 10 19.190 5.563 -5.014 1.00 61.32 C ATOM 123 CG2 VAL A 10 18.192 3.289 -5.345 1.00 42.13 C ATOM 0 H VAL A 10 19.728 2.555 -7.899 1.00 21.51 H new ATOM 0 HA VAL A 10 18.382 5.152 -7.512 1.00 11.02 H new ATOM 0 HB VAL A 10 20.253 3.795 -5.540 1.00 72.51 H new ATOM 0 HG11 VAL A 10 19.238 5.367 -3.943 1.00 61.32 H new ATOM 0 HG12 VAL A 10 20.016 6.214 -5.301 1.00 61.32 H new ATOM 0 HG13 VAL A 10 18.244 6.050 -5.252 1.00 61.32 H new ATOM 0 HG21 VAL A 10 18.253 3.125 -4.269 1.00 42.13 H new ATOM 0 HG22 VAL A 10 17.219 3.714 -5.593 1.00 42.13 H new ATOM 0 HG23 VAL A 10 18.316 2.339 -5.864 1.00 42.13 H new ATOM 133 N VAL A 11 20.593 6.486 -7.539 1.00 72.54 N ATOM 134 CA VAL A 11 21.773 7.251 -7.922 1.00 24.13 C ATOM 135 C VAL A 11 22.295 8.078 -6.752 1.00 33.11 C ATOM 136 O VAL A 11 21.517 8.596 -5.950 1.00 2.12 O ATOM 137 CB VAL A 11 21.475 8.189 -9.106 1.00 71.25 C ATOM 138 CG1 VAL A 11 21.115 7.385 -10.346 1.00 72.25 C ATOM 139 CG2 VAL A 11 20.360 9.160 -8.749 1.00 4.44 C ATOM 0 H VAL A 11 19.852 7.040 -7.111 1.00 72.54 H new ATOM 0 HA VAL A 11 22.533 6.530 -8.222 1.00 24.13 H new ATOM 0 HB VAL A 11 22.373 8.767 -9.324 1.00 71.25 H new ATOM 0 HG11 VAL A 11 20.908 8.064 -11.173 1.00 72.25 H new ATOM 0 HG12 VAL A 11 21.948 6.734 -10.612 1.00 72.25 H new ATOM 0 HG13 VAL A 11 20.231 6.780 -10.143 1.00 72.25 H new ATOM 0 HG21 VAL A 11 20.163 9.815 -9.597 1.00 4.44 H new ATOM 0 HG22 VAL A 11 19.456 8.602 -8.504 1.00 4.44 H new ATOM 0 HG23 VAL A 11 20.661 9.759 -7.890 1.00 4.44 H new ATOM 149 N ILE A 12 23.615 8.198 -6.661 1.00 71.21 N ATOM 150 CA ILE A 12 24.240 8.964 -5.590 1.00 20.51 C ATOM 151 C ILE A 12 24.721 10.320 -6.093 1.00 3.43 C ATOM 152 O ILE A 12 25.344 10.417 -7.149 1.00 65.34 O ATOM 153 CB ILE A 12 25.431 8.204 -4.976 1.00 41.21 C ATOM 154 CG1 ILE A 12 25.093 6.720 -4.821 1.00 54.13 C ATOM 155 CG2 ILE A 12 25.810 8.810 -3.633 1.00 34.43 C ATOM 156 CD1 ILE A 12 26.203 5.910 -4.189 1.00 73.13 C ATOM 0 H ILE A 12 24.272 7.775 -7.316 1.00 71.21 H new ATOM 0 HA ILE A 12 23.480 9.113 -4.823 1.00 20.51 H new ATOM 0 HB ILE A 12 26.285 8.294 -5.647 1.00 41.21 H new ATOM 0 HG12 ILE A 12 24.192 6.622 -4.215 1.00 54.13 H new ATOM 0 HG13 ILE A 12 24.864 6.304 -5.802 1.00 54.13 H new ATOM 0 HG21 ILE A 12 26.653 8.262 -3.212 1.00 34.43 H new ATOM 0 HG22 ILE A 12 26.088 9.855 -3.771 1.00 34.43 H new ATOM 0 HG23 ILE A 12 24.960 8.748 -2.953 1.00 34.43 H new ATOM 0 HD11 ILE A 12 25.894 4.868 -4.111 1.00 73.13 H new ATOM 0 HD12 ILE A 12 27.099 5.977 -4.806 1.00 73.13 H new ATOM 0 HD13 ILE A 12 26.417 6.301 -3.194 1.00 73.13 H new ATOM 168 N ALA A 13 24.429 11.367 -5.327 1.00 60.40 N ATOM 169 CA ALA A 13 24.835 12.718 -5.693 1.00 22.14 C ATOM 170 C ALA A 13 26.311 12.950 -5.385 1.00 73.33 C ATOM 171 O ALA A 13 26.766 12.719 -4.264 1.00 53.40 O ATOM 172 CB ALA A 13 23.976 13.742 -4.966 1.00 53.03 C ATOM 0 H ALA A 13 23.913 11.305 -4.449 1.00 60.40 H new ATOM 0 HA ALA A 13 24.691 12.836 -6.767 1.00 22.14 H new ATOM 0 HB1 ALA A 13 24.290 14.747 -5.249 1.00 53.03 H new ATOM 0 HB2 ALA A 13 22.930 13.599 -5.238 1.00 53.03 H new ATOM 0 HB3 ALA A 13 24.091 13.615 -3.890 1.00 53.03 H new ATOM 178 N LEU A 14 27.054 13.406 -6.387 1.00 62.33 N ATOM 179 CA LEU A 14 28.480 13.668 -6.224 1.00 51.23 C ATOM 180 C LEU A 14 28.722 15.110 -5.788 1.00 72.32 C ATOM 181 O LEU A 14 29.708 15.408 -5.114 1.00 62.03 O ATOM 182 CB LEU A 14 29.223 13.387 -7.531 1.00 41.25 C ATOM 183 CG LEU A 14 28.719 12.197 -8.348 1.00 33.43 C ATOM 184 CD1 LEU A 14 29.509 12.063 -9.640 1.00 73.43 C ATOM 185 CD2 LEU A 14 28.806 10.915 -7.532 1.00 4.23 C ATOM 0 H LEU A 14 26.693 13.602 -7.321 1.00 62.33 H new ATOM 0 HA LEU A 14 28.860 13.004 -5.447 1.00 51.23 H new ATOM 0 HB2 LEU A 14 29.169 14.279 -8.155 1.00 41.25 H new ATOM 0 HB3 LEU A 14 30.275 13.223 -7.299 1.00 41.25 H new ATOM 0 HG LEU A 14 27.674 12.372 -8.602 1.00 33.43 H new ATOM 0 HD11 LEU A 14 29.136 11.211 -10.208 1.00 73.43 H new ATOM 0 HD12 LEU A 14 29.395 12.971 -10.232 1.00 73.43 H new ATOM 0 HD13 LEU A 14 30.563 11.911 -9.408 1.00 73.43 H new ATOM 0 HD21 LEU A 14 28.443 10.078 -8.129 1.00 4.23 H new ATOM 0 HD22 LEU A 14 29.843 10.735 -7.247 1.00 4.23 H new ATOM 0 HD23 LEU A 14 28.195 11.013 -6.635 1.00 4.23 H new ATOM 197 N TYR A 15 27.815 15.999 -6.175 1.00 54.42 N ATOM 198 CA TYR A 15 27.929 17.410 -5.825 1.00 3.04 C ATOM 199 C TYR A 15 26.552 18.041 -5.648 1.00 54.33 C ATOM 200 O TYR A 15 25.568 17.585 -6.232 1.00 1.24 O ATOM 201 CB TYR A 15 28.713 18.163 -6.901 1.00 24.41 C ATOM 202 CG TYR A 15 30.051 17.536 -7.225 1.00 10.32 C ATOM 203 CD1 TYR A 15 31.183 17.845 -6.481 1.00 63.13 C ATOM 204 CD2 TYR A 15 30.182 16.635 -8.274 1.00 70.12 C ATOM 205 CE1 TYR A 15 32.407 17.276 -6.774 1.00 63.44 C ATOM 206 CE2 TYR A 15 31.402 16.060 -8.574 1.00 32.44 C ATOM 207 CZ TYR A 15 32.511 16.383 -7.821 1.00 45.41 C ATOM 208 OH TYR A 15 33.729 15.813 -8.115 1.00 53.14 O ATOM 0 H TYR A 15 26.992 15.768 -6.732 1.00 54.42 H new ATOM 0 HA TYR A 15 28.465 17.480 -4.878 1.00 3.04 H new ATOM 0 HB2 TYR A 15 28.113 18.210 -7.810 1.00 24.41 H new ATOM 0 HB3 TYR A 15 28.872 19.190 -6.571 1.00 24.41 H new ATOM 0 HD1 TYR A 15 31.105 18.542 -5.660 1.00 63.13 H new ATOM 0 HD2 TYR A 15 29.315 16.379 -8.865 1.00 70.12 H new ATOM 0 HE1 TYR A 15 33.278 17.529 -6.187 1.00 63.44 H new ATOM 0 HE2 TYR A 15 31.486 15.362 -9.393 1.00 32.44 H new ATOM 0 HH TYR A 15 33.631 15.207 -8.879 1.00 53.14 H new ATOM 218 N ASP A 16 26.490 19.094 -4.840 1.00 74.22 N ATOM 219 CA ASP A 16 25.234 19.791 -4.587 1.00 72.41 C ATOM 220 C ASP A 16 24.761 20.530 -5.835 1.00 63.31 C ATOM 221 O ASP A 16 25.041 21.716 -6.010 1.00 21.04 O ATOM 222 CB ASP A 16 25.397 20.774 -3.427 1.00 55.54 C ATOM 223 CG ASP A 16 26.615 21.663 -3.588 1.00 74.43 C ATOM 224 OD1 ASP A 16 27.745 21.146 -3.467 1.00 51.20 O ATOM 225 OD2 ASP A 16 26.438 22.874 -3.835 1.00 14.35 O ATOM 0 H ASP A 16 27.295 19.484 -4.349 1.00 74.22 H new ATOM 0 HA ASP A 16 24.482 19.048 -4.321 1.00 72.41 H new ATOM 0 HB2 ASP A 16 24.505 21.395 -3.353 1.00 55.54 H new ATOM 0 HB3 ASP A 16 25.477 20.219 -2.493 1.00 55.54 H new ATOM 230 N TYR A 17 24.045 19.821 -6.700 1.00 71.24 N ATOM 231 CA TYR A 17 23.537 20.408 -7.934 1.00 54.42 C ATOM 232 C TYR A 17 22.412 21.397 -7.644 1.00 14.14 C ATOM 233 O TYR A 17 21.653 21.227 -6.690 1.00 1.14 O ATOM 234 CB TYR A 17 23.037 19.313 -8.877 1.00 72.14 C ATOM 235 CG TYR A 17 22.344 19.846 -10.111 1.00 71.21 C ATOM 236 CD1 TYR A 17 23.059 20.504 -11.104 1.00 25.11 C ATOM 237 CD2 TYR A 17 20.974 19.692 -10.284 1.00 11.23 C ATOM 238 CE1 TYR A 17 22.431 20.993 -12.233 1.00 13.24 C ATOM 239 CE2 TYR A 17 20.337 20.177 -11.410 1.00 20.23 C ATOM 240 CZ TYR A 17 21.070 20.827 -12.381 1.00 75.31 C ATOM 241 OH TYR A 17 20.439 21.312 -13.503 1.00 54.25 O ATOM 0 H TYR A 17 23.803 18.839 -6.569 1.00 71.24 H new ATOM 0 HA TYR A 17 24.355 20.946 -8.414 1.00 54.42 H new ATOM 0 HB2 TYR A 17 23.881 18.695 -9.183 1.00 72.14 H new ATOM 0 HB3 TYR A 17 22.348 18.665 -8.335 1.00 72.14 H new ATOM 0 HD1 TYR A 17 24.125 20.636 -10.991 1.00 25.11 H new ATOM 0 HD2 TYR A 17 20.397 19.184 -9.525 1.00 11.23 H new ATOM 0 HE1 TYR A 17 23.002 21.502 -12.995 1.00 13.24 H new ATOM 0 HE2 TYR A 17 19.271 20.048 -11.529 1.00 20.23 H new ATOM 0 HH TYR A 17 19.481 21.111 -13.452 1.00 54.25 H new ATOM 251 N GLN A 18 22.311 22.430 -8.474 1.00 60.23 N ATOM 252 CA GLN A 18 21.279 23.446 -8.307 1.00 41.31 C ATOM 253 C GLN A 18 20.650 23.809 -9.648 1.00 71.12 C ATOM 254 O GLN A 18 21.352 24.081 -10.623 1.00 31.41 O ATOM 255 CB GLN A 18 21.867 24.697 -7.651 1.00 60.04 C ATOM 256 CG GLN A 18 21.921 24.620 -6.134 1.00 53.31 C ATOM 257 CD GLN A 18 22.144 25.974 -5.489 1.00 22.21 C ATOM 258 OE1 GLN A 18 22.722 26.876 -6.096 1.00 53.10 O ATOM 259 NE2 GLN A 18 21.686 26.123 -4.251 1.00 65.23 N ATOM 0 H GLN A 18 22.931 22.585 -9.269 1.00 60.23 H new ATOM 0 HA GLN A 18 20.502 23.036 -7.661 1.00 41.31 H new ATOM 0 HB2 GLN A 18 22.874 24.859 -8.034 1.00 60.04 H new ATOM 0 HB3 GLN A 18 21.272 25.563 -7.942 1.00 60.04 H new ATOM 0 HG2 GLN A 18 20.989 24.194 -5.762 1.00 53.31 H new ATOM 0 HG3 GLN A 18 22.722 23.944 -5.837 1.00 53.31 H new ATOM 0 HE21 GLN A 18 21.213 25.348 -3.786 1.00 65.23 H new ATOM 0 HE22 GLN A 18 21.808 27.012 -3.766 1.00 65.23 H new ATOM 268 N THR A 19 19.321 23.811 -9.692 1.00 1.13 N ATOM 269 CA THR A 19 18.597 24.139 -10.913 1.00 71.33 C ATOM 270 C THR A 19 18.137 25.592 -10.907 1.00 32.01 C ATOM 271 O THR A 19 17.998 26.204 -9.849 1.00 34.12 O ATOM 272 CB THR A 19 17.371 23.225 -11.102 1.00 63.11 C ATOM 273 OG1 THR A 19 16.605 23.659 -12.231 1.00 45.52 O ATOM 274 CG2 THR A 19 16.496 23.229 -9.858 1.00 5.14 C ATOM 0 H THR A 19 18.724 23.589 -8.895 1.00 1.13 H new ATOM 0 HA THR A 19 19.288 23.984 -11.741 1.00 71.33 H new ATOM 0 HB THR A 19 17.727 22.209 -11.274 1.00 63.11 H new ATOM 0 HG1 THR A 19 15.698 23.891 -11.941 1.00 45.52 H new ATOM 0 HG21 THR A 19 15.637 22.577 -10.015 1.00 5.14 H new ATOM 0 HG22 THR A 19 17.073 22.870 -9.006 1.00 5.14 H new ATOM 0 HG23 THR A 19 16.150 24.243 -9.660 1.00 5.14 H new ATOM 282 N ASN A 20 17.902 26.139 -12.095 1.00 74.33 N ATOM 283 CA ASN A 20 17.456 27.521 -12.226 1.00 5.31 C ATOM 284 C ASN A 20 15.933 27.601 -12.264 1.00 4.35 C ATOM 285 O ASN A 20 15.342 28.589 -11.827 1.00 24.15 O ATOM 286 CB ASN A 20 18.043 28.150 -13.491 1.00 52.35 C ATOM 287 CG ASN A 20 17.553 29.568 -13.713 1.00 15.21 C ATOM 288 OD1 ASN A 20 17.195 30.268 -12.765 1.00 42.34 O ATOM 289 ND2 ASN A 20 17.533 29.998 -14.969 1.00 63.12 N ATOM 0 H ASN A 20 18.013 25.646 -12.981 1.00 74.33 H new ATOM 0 HA ASN A 20 17.809 28.074 -11.356 1.00 5.31 H new ATOM 0 HB2 ASN A 20 19.131 28.151 -13.422 1.00 52.35 H new ATOM 0 HB3 ASN A 20 17.779 27.538 -14.354 1.00 52.35 H new ATOM 0 HD21 ASN A 20 17.212 30.943 -15.179 1.00 63.12 H new ATOM 0 HD22 ASN A 20 17.839 29.383 -15.723 1.00 63.12 H new ATOM 296 N ASP A 21 15.304 26.555 -12.788 1.00 5.23 N ATOM 297 CA ASP A 21 13.850 26.506 -12.881 1.00 70.51 C ATOM 298 C ASP A 21 13.292 25.345 -12.063 1.00 3.01 C ATOM 299 O ASP A 21 13.997 24.390 -11.734 1.00 13.42 O ATOM 300 CB ASP A 21 13.416 26.371 -14.341 1.00 53.35 C ATOM 301 CG ASP A 21 13.268 27.715 -15.027 1.00 43.25 C ATOM 302 OD1 ASP A 21 12.575 28.592 -14.471 1.00 41.10 O ATOM 303 OD2 ASP A 21 13.846 27.890 -16.121 1.00 75.13 O ATOM 0 H ASP A 21 15.778 25.730 -13.155 1.00 5.23 H new ATOM 0 HA ASP A 21 13.453 27.437 -12.476 1.00 70.51 H new ATOM 0 HB2 ASP A 21 14.148 25.769 -14.880 1.00 53.35 H new ATOM 0 HB3 ASP A 21 12.467 25.836 -14.387 1.00 53.35 H new ATOM 308 N PRO A 22 11.997 25.427 -11.725 1.00 51.51 N ATOM 309 CA PRO A 22 11.316 24.393 -10.941 1.00 10.14 C ATOM 310 C PRO A 22 11.130 23.099 -11.725 1.00 60.13 C ATOM 311 O PRO A 22 10.860 22.046 -11.148 1.00 13.43 O ATOM 312 CB PRO A 22 9.959 25.025 -10.622 1.00 53.24 C ATOM 313 CG PRO A 22 9.736 26.014 -11.714 1.00 41.20 C ATOM 314 CD PRO A 22 11.097 26.537 -12.083 1.00 71.44 C ATOM 0 HA PRO A 22 11.888 24.110 -10.057 1.00 10.14 H new ATOM 0 HB2 PRO A 22 9.168 24.275 -10.600 1.00 53.24 H new ATOM 0 HB3 PRO A 22 9.967 25.509 -9.645 1.00 53.24 H new ATOM 0 HG2 PRO A 22 9.252 25.546 -12.571 1.00 41.20 H new ATOM 0 HG3 PRO A 22 9.084 26.822 -11.382 1.00 41.20 H new ATOM 0 HD2 PRO A 22 11.160 26.780 -13.144 1.00 71.44 H new ATOM 0 HD3 PRO A 22 11.341 27.446 -11.533 1.00 71.44 H new ATOM 322 N GLN A 23 11.277 23.185 -13.043 1.00 41.14 N ATOM 323 CA GLN A 23 11.125 22.020 -13.906 1.00 72.34 C ATOM 324 C GLN A 23 12.104 20.919 -13.513 1.00 22.05 C ATOM 325 O GLN A 23 11.765 19.736 -13.537 1.00 42.41 O ATOM 326 CB GLN A 23 11.340 22.411 -15.370 1.00 31.45 C ATOM 327 CG GLN A 23 10.653 21.479 -16.355 1.00 41.23 C ATOM 328 CD GLN A 23 10.628 22.037 -17.765 1.00 10.13 C ATOM 329 OE1 GLN A 23 11.673 22.244 -18.382 1.00 24.52 O ATOM 330 NE2 GLN A 23 9.430 22.284 -18.283 1.00 5.34 N ATOM 0 H GLN A 23 11.501 24.049 -13.536 1.00 41.14 H new ATOM 0 HA GLN A 23 10.111 21.640 -13.784 1.00 72.34 H new ATOM 0 HB2 GLN A 23 10.972 23.425 -15.525 1.00 31.45 H new ATOM 0 HB3 GLN A 23 12.409 22.425 -15.581 1.00 31.45 H new ATOM 0 HG2 GLN A 23 11.166 20.517 -16.358 1.00 41.23 H new ATOM 0 HG3 GLN A 23 9.631 21.294 -16.023 1.00 41.23 H new ATOM 0 HE21 GLN A 23 8.590 22.097 -17.736 1.00 5.34 H new ATOM 0 HE22 GLN A 23 9.351 22.660 -19.228 1.00 5.34 H new ATOM 339 N GLU A 24 13.320 21.317 -13.150 1.00 72.13 N ATOM 340 CA GLU A 24 14.348 20.363 -12.753 1.00 23.14 C ATOM 341 C GLU A 24 14.514 20.342 -11.236 1.00 1.43 C ATOM 342 O GLU A 24 14.037 21.237 -10.535 1.00 64.35 O ATOM 343 CB GLU A 24 15.682 20.710 -13.418 1.00 31.23 C ATOM 344 CG GLU A 24 15.542 21.161 -14.862 1.00 5.11 C ATOM 345 CD GLU A 24 16.588 20.543 -15.770 1.00 30.02 C ATOM 346 OE1 GLU A 24 17.754 20.987 -15.721 1.00 50.03 O ATOM 347 OE2 GLU A 24 16.239 19.614 -16.529 1.00 4.42 O ATOM 0 H GLU A 24 13.616 22.293 -13.123 1.00 72.13 H new ATOM 0 HA GLU A 24 14.034 19.372 -13.081 1.00 23.14 H new ATOM 0 HB2 GLU A 24 16.170 21.499 -12.845 1.00 31.23 H new ATOM 0 HB3 GLU A 24 16.335 19.838 -13.380 1.00 31.23 H new ATOM 0 HG2 GLU A 24 14.549 20.898 -15.226 1.00 5.11 H new ATOM 0 HG3 GLU A 24 15.621 22.247 -14.909 1.00 5.11 H new ATOM 354 N LEU A 25 15.192 19.316 -10.735 1.00 4.04 N ATOM 355 CA LEU A 25 15.422 19.177 -9.301 1.00 15.34 C ATOM 356 C LEU A 25 16.883 19.442 -8.955 1.00 2.44 C ATOM 357 O LEU A 25 17.725 19.588 -9.841 1.00 15.32 O ATOM 358 CB LEU A 25 15.021 17.777 -8.833 1.00 52.02 C ATOM 359 CG LEU A 25 13.901 17.711 -7.794 1.00 4.23 C ATOM 360 CD1 LEU A 25 12.665 18.442 -8.294 1.00 32.52 C ATOM 361 CD2 LEU A 25 13.569 16.264 -7.458 1.00 44.43 C ATOM 0 H LEU A 25 15.592 18.568 -11.300 1.00 4.04 H new ATOM 0 HA LEU A 25 14.807 19.915 -8.787 1.00 15.34 H new ATOM 0 HB2 LEU A 25 14.715 17.198 -9.705 1.00 52.02 H new ATOM 0 HB3 LEU A 25 15.903 17.288 -8.419 1.00 52.02 H new ATOM 0 HG LEU A 25 14.246 18.204 -6.885 1.00 4.23 H new ATOM 0 HD11 LEU A 25 11.879 18.384 -7.541 1.00 32.52 H new ATOM 0 HD12 LEU A 25 12.911 19.487 -8.482 1.00 32.52 H new ATOM 0 HD13 LEU A 25 12.318 17.979 -9.218 1.00 32.52 H new ATOM 0 HD21 LEU A 25 12.770 16.237 -6.717 1.00 44.43 H new ATOM 0 HD22 LEU A 25 13.245 15.746 -8.361 1.00 44.43 H new ATOM 0 HD23 LEU A 25 14.454 15.772 -7.055 1.00 44.43 H new ATOM 373 N ALA A 26 17.178 19.501 -7.660 1.00 42.21 N ATOM 374 CA ALA A 26 18.539 19.744 -7.197 1.00 12.21 C ATOM 375 C ALA A 26 19.094 18.529 -6.462 1.00 71.43 C ATOM 376 O ALA A 26 18.344 17.758 -5.860 1.00 43.35 O ATOM 377 CB ALA A 26 18.579 20.971 -6.297 1.00 60.34 C ATOM 0 H ALA A 26 16.493 19.384 -6.913 1.00 42.21 H new ATOM 0 HA ALA A 26 19.166 19.926 -8.070 1.00 12.21 H new ATOM 0 HB1 ALA A 26 19.601 21.141 -5.958 1.00 60.34 H new ATOM 0 HB2 ALA A 26 18.232 21.842 -6.853 1.00 60.34 H new ATOM 0 HB3 ALA A 26 17.933 20.810 -5.434 1.00 60.34 H new ATOM 383 N LEU A 27 20.411 18.361 -6.516 1.00 14.54 N ATOM 384 CA LEU A 27 21.067 17.238 -5.855 1.00 53.23 C ATOM 385 C LEU A 27 21.813 17.700 -4.608 1.00 15.14 C ATOM 386 O LEU A 27 22.170 18.872 -4.484 1.00 63.43 O ATOM 387 CB LEU A 27 22.037 16.551 -6.818 1.00 74.10 C ATOM 388 CG LEU A 27 21.441 16.069 -8.141 1.00 54.43 C ATOM 389 CD1 LEU A 27 22.538 15.844 -9.170 1.00 75.02 C ATOM 390 CD2 LEU A 27 20.634 14.796 -7.931 1.00 41.21 C ATOM 0 H LEU A 27 21.045 18.988 -7.011 1.00 14.54 H new ATOM 0 HA LEU A 27 20.298 16.527 -5.553 1.00 53.23 H new ATOM 0 HB2 LEU A 27 22.849 17.243 -7.039 1.00 74.10 H new ATOM 0 HB3 LEU A 27 22.478 15.695 -6.308 1.00 74.10 H new ATOM 0 HG LEU A 27 20.771 16.841 -8.518 1.00 54.43 H new ATOM 0 HD11 LEU A 27 22.095 15.501 -10.105 1.00 75.02 H new ATOM 0 HD12 LEU A 27 23.072 16.778 -9.343 1.00 75.02 H new ATOM 0 HD13 LEU A 27 23.234 15.091 -8.801 1.00 75.02 H new ATOM 0 HD21 LEU A 27 20.218 14.468 -8.883 1.00 41.21 H new ATOM 0 HD22 LEU A 27 21.282 14.016 -7.530 1.00 41.21 H new ATOM 0 HD23 LEU A 27 19.824 14.991 -7.228 1.00 41.21 H new ATOM 402 N ARG A 28 22.045 16.771 -3.686 1.00 5.31 N ATOM 403 CA ARG A 28 22.750 17.083 -2.448 1.00 51.01 C ATOM 404 C ARG A 28 23.949 16.159 -2.258 1.00 3.23 C ATOM 405 O ARG A 28 23.822 14.937 -2.332 1.00 31.03 O ATOM 406 CB ARG A 28 21.803 16.960 -1.253 1.00 2.22 C ATOM 407 CG ARG A 28 22.404 17.455 0.053 1.00 33.41 C ATOM 408 CD ARG A 28 22.379 18.973 0.138 1.00 65.31 C ATOM 409 NE ARG A 28 22.893 19.458 1.416 1.00 20.31 N ATOM 410 CZ ARG A 28 22.940 20.743 1.749 1.00 33.24 C ATOM 411 NH1 ARG A 28 22.506 21.667 0.903 1.00 34.33 N ATOM 412 NH2 ARG A 28 23.421 21.106 2.931 1.00 20.24 N ATOM 0 H ARG A 28 21.755 15.797 -3.773 1.00 5.31 H new ATOM 0 HA ARG A 28 23.111 18.109 -2.513 1.00 51.01 H new ATOM 0 HB2 ARG A 28 20.893 17.523 -1.461 1.00 2.22 H new ATOM 0 HB3 ARG A 28 21.512 15.916 -1.137 1.00 2.22 H new ATOM 0 HG2 ARG A 28 21.851 17.033 0.892 1.00 33.41 H new ATOM 0 HG3 ARG A 28 23.432 17.102 0.139 1.00 33.41 H new ATOM 0 HD2 ARG A 28 22.974 19.391 -0.674 1.00 65.31 H new ATOM 0 HD3 ARG A 28 21.357 19.327 0.000 1.00 65.31 H new ATOM 0 HE ARG A 28 23.235 18.773 2.090 1.00 20.31 H new ATOM 0 HH11 ARG A 28 22.135 21.392 -0.006 1.00 34.33 H new ATOM 0 HH12 ARG A 28 22.543 22.653 1.162 1.00 34.33 H new ATOM 0 HH21 ARG A 28 23.755 20.398 3.585 1.00 20.24 H new ATOM 0 HH22 ARG A 28 23.457 22.093 3.186 1.00 20.24 H new ATOM 426 N ARG A 29 25.113 16.752 -2.013 1.00 3.11 N ATOM 427 CA ARG A 29 26.336 15.983 -1.814 1.00 34.32 C ATOM 428 C ARG A 29 26.129 14.896 -0.763 1.00 11.25 C ATOM 429 O ARG A 29 25.570 15.149 0.304 1.00 61.02 O ATOM 430 CB ARG A 29 27.481 16.905 -1.391 1.00 72.23 C ATOM 431 CG ARG A 29 28.859 16.356 -1.724 1.00 53.40 C ATOM 432 CD ARG A 29 29.919 16.906 -0.783 1.00 21.34 C ATOM 433 NE ARG A 29 30.358 18.243 -1.173 1.00 14.03 N ATOM 434 CZ ARG A 29 30.988 19.078 -0.354 1.00 62.30 C ATOM 435 NH1 ARG A 29 31.253 18.714 0.893 1.00 1.43 N ATOM 436 NH2 ARG A 29 31.356 20.278 -0.783 1.00 14.52 N ATOM 0 H ARG A 29 25.235 17.763 -1.948 1.00 3.11 H new ATOM 0 HA ARG A 29 26.594 15.506 -2.760 1.00 34.32 H new ATOM 0 HB2 ARG A 29 27.357 17.872 -1.878 1.00 72.23 H new ATOM 0 HB3 ARG A 29 27.418 17.079 -0.317 1.00 72.23 H new ATOM 0 HG2 ARG A 29 28.844 15.268 -1.661 1.00 53.40 H new ATOM 0 HG3 ARG A 29 29.115 16.612 -2.752 1.00 53.40 H new ATOM 0 HD2 ARG A 29 29.522 16.937 0.232 1.00 21.34 H new ATOM 0 HD3 ARG A 29 30.776 16.233 -0.770 1.00 21.34 H new ATOM 0 HE ARG A 29 30.171 18.553 -2.127 1.00 14.03 H new ATOM 0 HH11 ARG A 29 30.973 17.791 1.225 1.00 1.43 H new ATOM 0 HH12 ARG A 29 31.737 19.357 1.520 1.00 1.43 H new ATOM 0 HH21 ARG A 29 31.155 20.560 -1.742 1.00 14.52 H new ATOM 0 HH22 ARG A 29 31.840 20.918 -0.153 1.00 14.52 H new ATOM 450 N ASN A 30 26.583 13.686 -1.072 1.00 44.33 N ATOM 451 CA ASN A 30 26.447 12.561 -0.155 1.00 24.32 C ATOM 452 C ASN A 30 24.978 12.231 0.088 1.00 54.14 C ATOM 453 O ASN A 30 24.523 12.182 1.230 1.00 62.40 O ATOM 454 CB ASN A 30 27.138 12.873 1.174 1.00 15.25 C ATOM 455 CG ASN A 30 27.610 11.622 1.889 1.00 72.41 C ATOM 456 OD1 ASN A 30 27.056 11.235 2.918 1.00 60.50 O ATOM 457 ND2 ASN A 30 28.639 10.983 1.345 1.00 72.44 N ATOM 0 H ASN A 30 27.048 13.460 -1.951 1.00 44.33 H new ATOM 0 HA ASN A 30 26.925 11.694 -0.611 1.00 24.32 H new ATOM 0 HB2 ASN A 30 27.990 13.527 0.992 1.00 15.25 H new ATOM 0 HB3 ASN A 30 26.449 13.419 1.819 1.00 15.25 H new ATOM 0 HD21 ASN A 30 29.001 10.135 1.781 1.00 72.44 H new ATOM 0 HD22 ASN A 30 29.067 11.340 0.491 1.00 72.44 H new ATOM 464 N GLU A 31 24.241 12.006 -0.996 1.00 13.12 N ATOM 465 CA GLU A 31 22.822 11.681 -0.900 1.00 44.41 C ATOM 466 C GLU A 31 22.413 10.702 -1.997 1.00 1.51 C ATOM 467 O GLU A 31 23.148 10.494 -2.962 1.00 33.23 O ATOM 468 CB GLU A 31 21.978 12.954 -0.996 1.00 34.44 C ATOM 469 CG GLU A 31 20.648 12.857 -0.267 1.00 54.21 C ATOM 470 CD GLU A 31 20.182 14.194 0.276 1.00 54.10 C ATOM 471 OE1 GLU A 31 20.620 14.569 1.384 1.00 73.11 O ATOM 472 OE2 GLU A 31 19.379 14.865 -0.406 1.00 43.01 O ATOM 0 H GLU A 31 24.602 12.043 -1.949 1.00 13.12 H new ATOM 0 HA GLU A 31 22.647 11.210 0.067 1.00 44.41 H new ATOM 0 HB2 GLU A 31 22.547 13.789 -0.587 1.00 34.44 H new ATOM 0 HB3 GLU A 31 21.792 13.179 -2.046 1.00 34.44 H new ATOM 0 HG2 GLU A 31 19.893 12.462 -0.947 1.00 54.21 H new ATOM 0 HG3 GLU A 31 20.739 12.147 0.555 1.00 54.21 H new ATOM 479 N GLU A 32 21.236 10.105 -1.840 1.00 10.12 N ATOM 480 CA GLU A 32 20.730 9.147 -2.816 1.00 11.31 C ATOM 481 C GLU A 32 19.431 9.645 -3.443 1.00 71.24 C ATOM 482 O GLU A 32 18.712 10.451 -2.852 1.00 61.13 O ATOM 483 CB GLU A 32 20.502 7.786 -2.156 1.00 73.43 C ATOM 484 CG GLU A 32 21.716 6.874 -2.206 1.00 61.25 C ATOM 485 CD GLU A 32 22.596 7.005 -0.978 1.00 54.43 C ATOM 486 OE1 GLU A 32 22.528 8.059 -0.311 1.00 35.22 O ATOM 487 OE2 GLU A 32 23.352 6.056 -0.685 1.00 13.02 O ATOM 0 H GLU A 32 20.615 10.268 -1.047 1.00 10.12 H new ATOM 0 HA GLU A 32 21.476 9.040 -3.604 1.00 11.31 H new ATOM 0 HB2 GLU A 32 20.216 7.940 -1.115 1.00 73.43 H new ATOM 0 HB3 GLU A 32 19.665 7.290 -2.647 1.00 73.43 H new ATOM 0 HG2 GLU A 32 21.385 5.840 -2.302 1.00 61.25 H new ATOM 0 HG3 GLU A 32 22.303 7.105 -3.095 1.00 61.25 H new ATOM 494 N TYR A 33 19.137 9.159 -4.644 1.00 43.13 N ATOM 495 CA TYR A 33 17.927 9.556 -5.354 1.00 61.13 C ATOM 496 C TYR A 33 17.364 8.392 -6.164 1.00 31.12 C ATOM 497 O TYR A 33 18.074 7.769 -6.954 1.00 44.51 O ATOM 498 CB TYR A 33 18.217 10.740 -6.278 1.00 5.45 C ATOM 499 CG TYR A 33 18.579 12.009 -5.539 1.00 55.41 C ATOM 500 CD1 TYR A 33 17.596 12.908 -5.141 1.00 42.11 C ATOM 501 CD2 TYR A 33 19.901 12.310 -5.240 1.00 45.52 C ATOM 502 CE1 TYR A 33 17.921 14.069 -4.467 1.00 3.32 C ATOM 503 CE2 TYR A 33 20.236 13.468 -4.565 1.00 14.40 C ATOM 504 CZ TYR A 33 19.242 14.345 -4.181 1.00 21.43 C ATOM 505 OH TYR A 33 19.571 15.500 -3.509 1.00 60.22 O ATOM 0 H TYR A 33 19.720 8.490 -5.146 1.00 43.13 H new ATOM 0 HA TYR A 33 17.184 9.854 -4.614 1.00 61.13 H new ATOM 0 HB2 TYR A 33 19.034 10.475 -6.950 1.00 5.45 H new ATOM 0 HB3 TYR A 33 17.342 10.928 -6.899 1.00 5.45 H new ATOM 0 HD1 TYR A 33 16.561 12.695 -5.363 1.00 42.11 H new ATOM 0 HD2 TYR A 33 20.681 11.627 -5.540 1.00 45.52 H new ATOM 0 HE1 TYR A 33 17.145 14.757 -4.166 1.00 3.32 H new ATOM 0 HE2 TYR A 33 21.269 13.686 -4.339 1.00 14.40 H new ATOM 0 HH TYR A 33 19.537 15.338 -2.543 1.00 60.22 H new ATOM 515 N CYS A 34 16.083 8.104 -5.961 1.00 50.31 N ATOM 516 CA CYS A 34 15.422 7.015 -6.671 1.00 63.14 C ATOM 517 C CYS A 34 15.333 7.314 -8.164 1.00 41.33 C ATOM 518 O CYS A 34 14.526 8.138 -8.596 1.00 53.31 O ATOM 519 CB CYS A 34 14.023 6.781 -6.101 1.00 54.42 C ATOM 520 SG CYS A 34 13.711 5.077 -5.584 1.00 51.03 S ATOM 0 H CYS A 34 15.482 8.610 -5.311 1.00 50.31 H new ATOM 0 HA CYS A 34 16.017 6.112 -6.535 1.00 63.14 H new ATOM 0 HB2 CYS A 34 13.876 7.441 -5.246 1.00 54.42 H new ATOM 0 HB3 CYS A 34 13.285 7.062 -6.852 1.00 54.42 H new ATOM 0 HG CYS A 34 12.503 4.980 -5.114 1.00 51.03 H new ATOM 526 N LEU A 35 16.168 6.642 -8.948 1.00 65.41 N ATOM 527 CA LEU A 35 16.186 6.836 -10.394 1.00 14.53 C ATOM 528 C LEU A 35 14.854 6.426 -11.014 1.00 61.13 C ATOM 529 O LEU A 35 14.319 5.358 -10.712 1.00 50.42 O ATOM 530 CB LEU A 35 17.324 6.032 -11.023 1.00 63.01 C ATOM 531 CG LEU A 35 17.918 6.604 -12.311 1.00 70.41 C ATOM 532 CD1 LEU A 35 16.873 6.626 -13.416 1.00 45.22 C ATOM 533 CD2 LEU A 35 18.471 8.000 -12.069 1.00 44.42 C ATOM 0 H LEU A 35 16.842 5.957 -8.607 1.00 65.41 H new ATOM 0 HA LEU A 35 16.347 7.896 -10.592 1.00 14.53 H new ATOM 0 HB2 LEU A 35 18.124 5.937 -10.289 1.00 63.01 H new ATOM 0 HB3 LEU A 35 16.960 5.026 -11.230 1.00 63.01 H new ATOM 0 HG LEU A 35 18.739 5.960 -12.628 1.00 70.41 H new ATOM 0 HD11 LEU A 35 17.313 7.036 -14.325 1.00 45.22 H new ATOM 0 HD12 LEU A 35 16.524 5.611 -13.607 1.00 45.22 H new ATOM 0 HD13 LEU A 35 16.031 7.247 -13.109 1.00 45.22 H new ATOM 0 HD21 LEU A 35 18.890 8.391 -12.996 1.00 44.42 H new ATOM 0 HD22 LEU A 35 17.669 8.655 -11.728 1.00 44.42 H new ATOM 0 HD23 LEU A 35 19.251 7.956 -11.309 1.00 44.42 H new ATOM 545 N LEU A 36 14.325 7.279 -11.885 1.00 21.33 N ATOM 546 CA LEU A 36 13.057 7.004 -12.551 1.00 34.03 C ATOM 547 C LEU A 36 13.250 6.876 -14.058 1.00 54.33 C ATOM 548 O LEU A 36 12.791 5.914 -14.674 1.00 31.54 O ATOM 549 CB LEU A 36 12.048 8.113 -12.246 1.00 74.42 C ATOM 550 CG LEU A 36 11.902 8.502 -10.775 1.00 33.23 C ATOM 551 CD1 LEU A 36 11.460 9.951 -10.647 1.00 41.53 C ATOM 552 CD2 LEU A 36 10.916 7.578 -10.074 1.00 53.40 C ATOM 0 H LEU A 36 14.755 8.166 -12.146 1.00 21.33 H new ATOM 0 HA LEU A 36 12.673 6.057 -12.172 1.00 34.03 H new ATOM 0 HB2 LEU A 36 12.334 9.001 -12.809 1.00 74.42 H new ATOM 0 HB3 LEU A 36 11.072 7.801 -12.617 1.00 74.42 H new ATOM 0 HG LEU A 36 12.874 8.396 -10.293 1.00 33.23 H new ATOM 0 HD11 LEU A 36 11.361 10.210 -9.593 1.00 41.53 H new ATOM 0 HD12 LEU A 36 12.202 10.600 -11.112 1.00 41.53 H new ATOM 0 HD13 LEU A 36 10.499 10.084 -11.144 1.00 41.53 H new ATOM 0 HD21 LEU A 36 10.825 7.870 -9.028 1.00 53.40 H new ATOM 0 HD22 LEU A 36 9.942 7.651 -10.558 1.00 53.40 H new ATOM 0 HD23 LEU A 36 11.275 6.550 -10.134 1.00 53.40 H new ATOM 564 N ASP A 37 13.932 7.852 -14.647 1.00 25.03 N ATOM 565 CA ASP A 37 14.190 7.847 -16.082 1.00 55.42 C ATOM 566 C ASP A 37 15.643 8.208 -16.375 1.00 74.22 C ATOM 567 O ASP A 37 16.130 9.256 -15.952 1.00 70.03 O ATOM 568 CB ASP A 37 13.255 8.828 -16.792 1.00 72.24 C ATOM 569 CG ASP A 37 12.475 8.174 -17.916 1.00 61.40 C ATOM 570 OD1 ASP A 37 13.063 7.345 -18.641 1.00 62.15 O ATOM 571 OD2 ASP A 37 11.277 8.491 -18.071 1.00 10.14 O ATOM 0 H ASP A 37 14.316 8.657 -14.152 1.00 25.03 H new ATOM 0 HA ASP A 37 14.002 6.841 -16.457 1.00 55.42 H new ATOM 0 HB2 ASP A 37 12.558 9.250 -16.068 1.00 72.24 H new ATOM 0 HB3 ASP A 37 13.839 9.656 -17.193 1.00 72.24 H new ATOM 576 N SER A 38 16.330 7.331 -17.101 1.00 14.31 N ATOM 577 CA SER A 38 17.729 7.555 -17.446 1.00 74.44 C ATOM 578 C SER A 38 17.985 7.226 -18.914 1.00 31.41 C ATOM 579 O SER A 38 18.317 6.091 -19.258 1.00 53.45 O ATOM 580 CB SER A 38 18.638 6.706 -16.555 1.00 74.14 C ATOM 581 OG SER A 38 18.094 5.412 -16.357 1.00 41.25 O ATOM 0 H SER A 38 15.941 6.460 -17.461 1.00 14.31 H new ATOM 0 HA SER A 38 17.954 8.609 -17.283 1.00 74.44 H new ATOM 0 HB2 SER A 38 19.625 6.623 -17.011 1.00 74.14 H new ATOM 0 HB3 SER A 38 18.772 7.199 -15.592 1.00 74.14 H new ATOM 0 HG SER A 38 17.914 4.996 -17.226 1.00 41.25 H new ATOM 587 N SER A 39 17.828 8.227 -19.774 1.00 63.43 N ATOM 588 CA SER A 39 18.039 8.044 -21.206 1.00 13.23 C ATOM 589 C SER A 39 19.411 8.564 -21.624 1.00 12.03 C ATOM 590 O SER A 39 20.149 7.890 -22.342 1.00 14.22 O ATOM 591 CB SER A 39 16.945 8.762 -21.999 1.00 3.41 C ATOM 592 OG SER A 39 16.746 8.150 -23.261 1.00 54.44 O ATOM 0 H SER A 39 17.556 9.172 -19.505 1.00 63.43 H new ATOM 0 HA SER A 39 17.994 6.977 -21.422 1.00 13.23 H new ATOM 0 HB2 SER A 39 16.013 8.748 -21.434 1.00 3.41 H new ATOM 0 HB3 SER A 39 17.219 9.808 -22.138 1.00 3.41 H new ATOM 0 HG SER A 39 16.041 8.626 -23.748 1.00 54.44 H new ATOM 598 N GLU A 40 19.745 9.768 -21.168 1.00 74.43 N ATOM 599 CA GLU A 40 21.028 10.379 -21.496 1.00 35.43 C ATOM 600 C GLU A 40 21.454 11.364 -20.411 1.00 33.52 C ATOM 601 O GLU A 40 20.624 11.859 -19.647 1.00 63.21 O ATOM 602 CB GLU A 40 20.947 11.094 -22.846 1.00 62.31 C ATOM 603 CG GLU A 40 22.295 11.259 -23.528 1.00 72.14 C ATOM 604 CD GLU A 40 22.181 11.308 -25.040 1.00 2.43 C ATOM 605 OE1 GLU A 40 21.116 11.726 -25.541 1.00 31.34 O ATOM 606 OE2 GLU A 40 23.157 10.930 -25.721 1.00 74.12 O ATOM 0 H GLU A 40 19.146 10.338 -20.571 1.00 74.43 H new ATOM 0 HA GLU A 40 21.774 9.587 -21.557 1.00 35.43 H new ATOM 0 HB2 GLU A 40 20.282 10.535 -23.504 1.00 62.31 H new ATOM 0 HB3 GLU A 40 20.500 12.077 -22.701 1.00 62.31 H new ATOM 0 HG2 GLU A 40 22.768 12.175 -23.173 1.00 72.14 H new ATOM 0 HG3 GLU A 40 22.946 10.433 -23.243 1.00 72.14 H new ATOM 613 N ILE A 41 22.751 11.642 -20.349 1.00 64.24 N ATOM 614 CA ILE A 41 23.288 12.567 -19.359 1.00 53.21 C ATOM 615 C ILE A 41 22.609 13.929 -19.455 1.00 40.33 C ATOM 616 O ILE A 41 22.663 14.729 -18.520 1.00 54.25 O ATOM 617 CB ILE A 41 24.808 12.751 -19.525 1.00 72.32 C ATOM 618 CG1 ILE A 41 25.350 13.694 -18.450 1.00 1.33 C ATOM 619 CG2 ILE A 41 25.129 13.282 -20.914 1.00 75.03 C ATOM 620 CD1 ILE A 41 26.859 13.804 -18.447 1.00 32.42 C ATOM 0 H ILE A 41 23.450 11.240 -20.973 1.00 64.24 H new ATOM 0 HA ILE A 41 23.088 12.132 -18.380 1.00 53.21 H new ATOM 0 HB ILE A 41 25.291 11.781 -19.408 1.00 72.32 H new ATOM 0 HG12 ILE A 41 24.922 14.685 -18.599 1.00 1.33 H new ATOM 0 HG13 ILE A 41 25.017 13.346 -17.472 1.00 1.33 H new ATOM 0 HG21 ILE A 41 26.207 13.407 -21.016 1.00 75.03 H new ATOM 0 HG22 ILE A 41 24.773 12.576 -21.665 1.00 75.03 H new ATOM 0 HG23 ILE A 41 24.637 14.244 -21.058 1.00 75.03 H new ATOM 0 HD11 ILE A 41 27.172 14.489 -17.659 1.00 32.42 H new ATOM 0 HD12 ILE A 41 27.295 12.821 -18.268 1.00 32.42 H new ATOM 0 HD13 ILE A 41 27.198 14.181 -19.412 1.00 32.42 H new ATOM 632 N HIS A 42 21.969 14.187 -20.592 1.00 32.54 N ATOM 633 CA HIS A 42 21.277 15.452 -20.810 1.00 35.35 C ATOM 634 C HIS A 42 20.288 15.732 -19.681 1.00 62.44 C ATOM 635 O HIS A 42 20.238 16.840 -19.148 1.00 22.10 O ATOM 636 CB HIS A 42 20.544 15.432 -22.152 1.00 3.14 C ATOM 637 CG HIS A 42 21.432 15.107 -23.313 1.00 52.14 C ATOM 638 ND1 HIS A 42 22.806 15.215 -23.264 1.00 54.04 N ATOM 639 CD2 HIS A 42 21.134 14.673 -24.561 1.00 3.05 C ATOM 640 CE1 HIS A 42 23.315 14.863 -24.431 1.00 54.15 C ATOM 641 NE2 HIS A 42 22.321 14.529 -25.236 1.00 4.24 N ATOM 0 H HIS A 42 21.916 13.537 -21.376 1.00 32.54 H new ATOM 0 HA HIS A 42 22.022 16.248 -20.823 1.00 35.35 H new ATOM 0 HB2 HIS A 42 19.738 14.700 -22.106 1.00 3.14 H new ATOM 0 HB3 HIS A 42 20.082 16.405 -22.319 1.00 3.14 H new ATOM 0 HD2 HIS A 42 20.147 14.477 -24.952 1.00 3.05 H new ATOM 0 HE1 HIS A 42 24.365 14.850 -24.684 1.00 54.15 H new ATOM 0 HE2 HIS A 42 22.420 14.215 -26.202 1.00 4.24 H new ATOM 649 N TRP A 43 19.504 14.721 -19.324 1.00 62.14 N ATOM 650 CA TRP A 43 18.516 14.859 -18.260 1.00 65.01 C ATOM 651 C TRP A 43 18.188 13.504 -17.643 1.00 2.01 C ATOM 652 O TRP A 43 17.863 12.552 -18.352 1.00 33.33 O ATOM 653 CB TRP A 43 17.242 15.509 -18.800 1.00 51.53 C ATOM 654 CG TRP A 43 16.572 14.704 -19.872 1.00 31.53 C ATOM 655 CD1 TRP A 43 16.731 14.841 -21.221 1.00 62.21 C ATOM 656 CD2 TRP A 43 15.635 13.637 -19.683 1.00 4.24 C ATOM 657 NE1 TRP A 43 15.950 13.924 -21.882 1.00 70.04 N ATOM 658 CE2 TRP A 43 15.269 13.173 -20.961 1.00 52.12 C ATOM 659 CE3 TRP A 43 15.073 13.028 -18.558 1.00 75.21 C ATOM 660 CZ2 TRP A 43 14.365 12.130 -21.143 1.00 53.02 C ATOM 661 CZ3 TRP A 43 14.175 11.993 -18.740 1.00 61.25 C ATOM 662 CH2 TRP A 43 13.829 11.552 -20.025 1.00 31.24 C ATOM 0 H TRP A 43 19.533 13.797 -19.755 1.00 62.14 H new ATOM 0 HA TRP A 43 18.940 15.497 -17.485 1.00 65.01 H new ATOM 0 HB2 TRP A 43 16.543 15.659 -17.978 1.00 51.53 H new ATOM 0 HB3 TRP A 43 17.485 16.495 -19.195 1.00 51.53 H new ATOM 0 HD1 TRP A 43 17.376 15.564 -21.698 1.00 62.21 H new ATOM 0 HE1 TRP A 43 15.887 13.819 -22.895 1.00 70.04 H new ATOM 0 HE3 TRP A 43 15.335 13.360 -17.564 1.00 75.21 H new ATOM 0 HZ2 TRP A 43 14.096 11.789 -22.132 1.00 53.02 H new ATOM 0 HZ3 TRP A 43 13.733 11.516 -17.878 1.00 61.25 H new ATOM 0 HH2 TRP A 43 13.125 10.740 -20.134 1.00 31.24 H new ATOM 673 N TRP A 44 18.276 13.425 -16.320 1.00 75.21 N ATOM 674 CA TRP A 44 17.987 12.185 -15.608 1.00 61.22 C ATOM 675 C TRP A 44 16.879 12.392 -14.582 1.00 21.25 C ATOM 676 O TRP A 44 17.042 13.147 -13.623 1.00 53.32 O ATOM 677 CB TRP A 44 19.248 11.664 -14.918 1.00 25.13 C ATOM 678 CG TRP A 44 20.007 10.666 -15.740 1.00 11.40 C ATOM 679 CD1 TRP A 44 20.062 10.601 -17.103 1.00 22.51 C ATOM 680 CD2 TRP A 44 20.816 9.591 -15.251 1.00 43.32 C ATOM 681 NE1 TRP A 44 20.857 9.549 -17.491 1.00 3.11 N ATOM 682 CE2 TRP A 44 21.333 8.915 -16.374 1.00 34.22 C ATOM 683 CE3 TRP A 44 21.157 9.135 -13.975 1.00 11.41 C ATOM 684 CZ2 TRP A 44 22.169 7.808 -16.256 1.00 33.22 C ATOM 685 CZ3 TRP A 44 21.987 8.036 -13.860 1.00 14.45 C ATOM 686 CH2 TRP A 44 22.486 7.383 -14.994 1.00 53.12 C ATOM 0 H TRP A 44 18.545 14.204 -15.719 1.00 75.21 H new ATOM 0 HA TRP A 44 17.649 11.447 -16.336 1.00 61.22 H new ATOM 0 HB2 TRP A 44 19.901 12.506 -14.687 1.00 25.13 H new ATOM 0 HB3 TRP A 44 18.971 11.206 -13.968 1.00 25.13 H new ATOM 0 HD1 TRP A 44 19.556 11.276 -17.777 1.00 22.51 H new ATOM 0 HE1 TRP A 44 21.060 9.283 -18.455 1.00 3.11 H new ATOM 0 HE3 TRP A 44 20.779 9.633 -13.094 1.00 11.41 H new ATOM 0 HZ2 TRP A 44 22.554 7.302 -17.129 1.00 33.22 H new ATOM 0 HZ3 TRP A 44 22.256 7.674 -12.878 1.00 14.45 H new ATOM 0 HH2 TRP A 44 23.133 6.528 -14.870 1.00 53.12 H new ATOM 697 N ARG A 45 15.753 11.716 -14.788 1.00 3.23 N ATOM 698 CA ARG A 45 14.618 11.828 -13.880 1.00 22.54 C ATOM 699 C ARG A 45 14.843 10.991 -12.624 1.00 33.34 C ATOM 700 O ARG A 45 15.070 9.783 -12.702 1.00 2.33 O ATOM 701 CB ARG A 45 13.333 11.382 -14.579 1.00 53.11 C ATOM 702 CG ARG A 45 12.254 12.453 -14.611 1.00 22.32 C ATOM 703 CD ARG A 45 10.872 11.846 -14.792 1.00 72.34 C ATOM 704 NE ARG A 45 10.323 12.120 -16.118 1.00 5.11 N ATOM 705 CZ ARG A 45 9.265 11.493 -16.620 1.00 3.24 C ATOM 706 NH1 ARG A 45 8.644 10.561 -15.910 1.00 5.23 N ATOM 707 NH2 ARG A 45 8.826 11.799 -17.834 1.00 33.52 N ATOM 0 H ARG A 45 15.603 11.085 -15.575 1.00 3.23 H new ATOM 0 HA ARG A 45 14.520 12.873 -13.587 1.00 22.54 H new ATOM 0 HB2 ARG A 45 13.569 11.086 -15.601 1.00 53.11 H new ATOM 0 HB3 ARG A 45 12.942 10.499 -14.073 1.00 53.11 H new ATOM 0 HG2 ARG A 45 12.282 13.027 -13.685 1.00 22.32 H new ATOM 0 HG3 ARG A 45 12.456 13.150 -15.424 1.00 22.32 H new ATOM 0 HD2 ARG A 45 10.926 10.768 -14.638 1.00 72.34 H new ATOM 0 HD3 ARG A 45 10.199 12.243 -14.032 1.00 72.34 H new ATOM 0 HE ARG A 45 10.777 12.832 -16.690 1.00 5.11 H new ATOM 0 HH11 ARG A 45 8.978 10.324 -14.976 1.00 5.23 H new ATOM 0 HH12 ARG A 45 7.832 10.081 -16.298 1.00 5.23 H new ATOM 0 HH21 ARG A 45 9.301 12.516 -18.382 1.00 33.52 H new ATOM 0 HH22 ARG A 45 8.014 11.317 -18.219 1.00 33.52 H new ATOM 721 N VAL A 46 14.778 11.641 -11.466 1.00 74.10 N ATOM 722 CA VAL A 46 14.973 10.957 -10.193 1.00 41.31 C ATOM 723 C VAL A 46 13.985 11.455 -9.145 1.00 33.05 C ATOM 724 O VAL A 46 13.284 12.444 -9.358 1.00 44.14 O ATOM 725 CB VAL A 46 16.407 11.153 -9.665 1.00 53.12 C ATOM 726 CG1 VAL A 46 17.424 10.693 -10.698 1.00 71.51 C ATOM 727 CG2 VAL A 46 16.640 12.608 -9.286 1.00 65.25 C ATOM 0 H VAL A 46 14.592 12.640 -11.383 1.00 74.10 H new ATOM 0 HA VAL A 46 14.802 9.896 -10.374 1.00 41.31 H new ATOM 0 HB VAL A 46 16.533 10.543 -8.770 1.00 53.12 H new ATOM 0 HG11 VAL A 46 18.431 10.839 -10.307 1.00 71.51 H new ATOM 0 HG12 VAL A 46 17.269 9.636 -10.916 1.00 71.51 H new ATOM 0 HG13 VAL A 46 17.302 11.273 -11.612 1.00 71.51 H new ATOM 0 HG21 VAL A 46 17.658 12.729 -8.915 1.00 65.25 H new ATOM 0 HG22 VAL A 46 16.496 13.240 -10.162 1.00 65.25 H new ATOM 0 HG23 VAL A 46 15.934 12.899 -8.509 1.00 65.25 H new ATOM 737 N GLN A 47 13.934 10.763 -8.011 1.00 63.21 N ATOM 738 CA GLN A 47 13.031 11.135 -6.929 1.00 10.03 C ATOM 739 C GLN A 47 13.770 11.185 -5.596 1.00 1.23 C ATOM 740 O GLN A 47 14.647 10.363 -5.330 1.00 30.04 O ATOM 741 CB GLN A 47 11.868 10.145 -6.844 1.00 10.04 C ATOM 742 CG GLN A 47 10.972 10.361 -5.635 1.00 2.25 C ATOM 743 CD GLN A 47 9.585 9.781 -5.825 1.00 13.01 C ATOM 744 OE1 GLN A 47 8.582 10.482 -5.688 1.00 12.21 O ATOM 745 NE2 GLN A 47 9.520 8.493 -6.143 1.00 13.41 N ATOM 0 H GLN A 47 14.508 9.942 -7.818 1.00 63.21 H new ATOM 0 HA GLN A 47 12.638 12.129 -7.143 1.00 10.03 H new ATOM 0 HB2 GLN A 47 11.267 10.225 -7.750 1.00 10.04 H new ATOM 0 HB3 GLN A 47 12.267 9.131 -6.814 1.00 10.04 H new ATOM 0 HG2 GLN A 47 11.435 9.906 -4.759 1.00 2.25 H new ATOM 0 HG3 GLN A 47 10.890 11.429 -5.434 1.00 2.25 H new ATOM 0 HE21 GLN A 47 10.377 7.949 -6.247 1.00 13.41 H new ATOM 0 HE22 GLN A 47 8.613 8.048 -6.284 1.00 13.41 H new ATOM 754 N ASP A 48 13.411 12.155 -4.762 1.00 32.11 N ATOM 755 CA ASP A 48 14.040 12.312 -3.455 1.00 54.15 C ATOM 756 C ASP A 48 13.451 11.330 -2.448 1.00 23.44 C ATOM 757 O ASP A 48 12.623 10.489 -2.797 1.00 34.24 O ATOM 758 CB ASP A 48 13.865 13.745 -2.951 1.00 0.31 C ATOM 759 CG ASP A 48 14.680 14.744 -3.749 1.00 60.55 C ATOM 760 OD1 ASP A 48 14.967 14.463 -4.932 1.00 2.51 O ATOM 761 OD2 ASP A 48 15.031 15.804 -3.192 1.00 5.52 O ATOM 0 H ASP A 48 12.688 12.844 -4.967 1.00 32.11 H new ATOM 0 HA ASP A 48 15.104 12.100 -3.562 1.00 54.15 H new ATOM 0 HB2 ASP A 48 12.811 14.018 -3.001 1.00 0.31 H new ATOM 0 HB3 ASP A 48 14.158 13.796 -1.902 1.00 0.31 H new ATOM 766 N ARG A 49 13.886 11.441 -1.197 1.00 5.42 N ATOM 767 CA ARG A 49 13.405 10.561 -0.139 1.00 12.52 C ATOM 768 C ARG A 49 12.220 11.187 0.591 1.00 13.01 C ATOM 769 O ARG A 49 11.862 10.765 1.690 1.00 3.30 O ATOM 770 CB ARG A 49 14.528 10.261 0.855 1.00 64.22 C ATOM 771 CG ARG A 49 15.108 11.502 1.513 1.00 51.41 C ATOM 772 CD ARG A 49 14.654 11.630 2.959 1.00 65.52 C ATOM 773 NE ARG A 49 15.039 10.468 3.757 1.00 13.40 N ATOM 774 CZ ARG A 49 16.260 10.284 4.245 1.00 23.11 C ATOM 775 NH1 ARG A 49 17.211 11.180 4.018 1.00 71.21 N ATOM 776 NH2 ARG A 49 16.533 9.202 4.963 1.00 71.54 N ATOM 0 H ARG A 49 14.571 12.132 -0.891 1.00 5.42 H new ATOM 0 HA ARG A 49 13.077 9.628 -0.598 1.00 12.52 H new ATOM 0 HB2 ARG A 49 14.148 9.594 1.629 1.00 64.22 H new ATOM 0 HB3 ARG A 49 15.326 9.728 0.338 1.00 64.22 H new ATOM 0 HG2 ARG A 49 16.197 11.460 1.475 1.00 51.41 H new ATOM 0 HG3 ARG A 49 14.803 12.387 0.955 1.00 51.41 H new ATOM 0 HD2 ARG A 49 15.086 12.530 3.397 1.00 65.52 H new ATOM 0 HD3 ARG A 49 13.571 11.749 2.990 1.00 65.52 H new ATOM 0 HE ARG A 49 14.331 9.759 3.950 1.00 13.40 H new ATOM 0 HH11 ARG A 49 17.005 12.013 3.467 1.00 71.21 H new ATOM 0 HH12 ARG A 49 18.148 11.036 4.394 1.00 71.21 H new ATOM 0 HH21 ARG A 49 15.804 8.511 5.141 1.00 71.54 H new ATOM 0 HH22 ARG A 49 17.471 9.062 5.337 1.00 71.54 H new ATOM 790 N ASN A 50 11.615 12.196 -0.028 1.00 64.23 N ATOM 791 CA ASN A 50 10.471 12.880 0.563 1.00 44.41 C ATOM 792 C ASN A 50 9.227 12.708 -0.303 1.00 42.12 C ATOM 793 O ASN A 50 8.102 12.773 0.189 1.00 54.42 O ATOM 794 CB ASN A 50 10.779 14.368 0.744 1.00 54.44 C ATOM 795 CG ASN A 50 12.104 14.604 1.442 1.00 11.40 C ATOM 796 OD1 ASN A 50 12.155 14.768 2.661 1.00 23.42 O ATOM 797 ND2 ASN A 50 13.184 14.624 0.670 1.00 61.21 N ATOM 0 H ASN A 50 11.898 12.558 -0.939 1.00 64.23 H new ATOM 0 HA ASN A 50 10.277 12.434 1.539 1.00 44.41 H new ATOM 0 HB2 ASN A 50 10.794 14.854 -0.231 1.00 54.44 H new ATOM 0 HB3 ASN A 50 9.980 14.834 1.320 1.00 54.44 H new ATOM 0 HD21 ASN A 50 14.103 14.780 1.083 1.00 61.21 H new ATOM 0 HD22 ASN A 50 13.094 14.483 -0.336 1.00 61.21 H new ATOM 804 N GLY A 51 9.439 12.487 -1.597 1.00 43.01 N ATOM 805 CA GLY A 51 8.327 12.308 -2.511 1.00 55.23 C ATOM 806 C GLY A 51 8.315 13.341 -3.620 1.00 45.34 C ATOM 807 O GLY A 51 7.256 13.696 -4.138 1.00 12.01 O ATOM 0 H GLY A 51 10.362 12.429 -2.028 1.00 43.01 H new ATOM 0 HA2 GLY A 51 8.377 11.311 -2.948 1.00 55.23 H new ATOM 0 HA3 GLY A 51 7.391 12.366 -1.955 1.00 55.23 H new ATOM 811 N HIS A 52 9.497 13.827 -3.986 1.00 44.41 N ATOM 812 CA HIS A 52 9.620 14.828 -5.041 1.00 34.43 C ATOM 813 C HIS A 52 10.448 14.292 -6.205 1.00 33.44 C ATOM 814 O HIS A 52 11.564 13.810 -6.014 1.00 11.23 O ATOM 815 CB HIS A 52 10.257 16.104 -4.491 1.00 24.21 C ATOM 816 CG HIS A 52 9.586 16.626 -3.258 1.00 52.02 C ATOM 817 ND1 HIS A 52 10.144 16.534 -2.001 1.00 31.23 N ATOM 818 CD2 HIS A 52 8.396 17.251 -3.095 1.00 61.43 C ATOM 819 CE1 HIS A 52 9.326 17.077 -1.117 1.00 53.44 C ATOM 820 NE2 HIS A 52 8.258 17.520 -1.756 1.00 52.40 N ATOM 0 H HIS A 52 10.383 13.544 -3.568 1.00 44.41 H new ATOM 0 HA HIS A 52 8.620 15.059 -5.407 1.00 34.43 H new ATOM 0 HB2 HIS A 52 11.306 15.910 -4.269 1.00 24.21 H new ATOM 0 HB3 HIS A 52 10.232 16.874 -5.262 1.00 24.21 H new ATOM 0 HD2 HIS A 52 7.687 17.493 -3.873 1.00 61.43 H new ATOM 0 HE1 HIS A 52 9.501 17.147 -0.053 1.00 53.44 H new ATOM 0 HE2 HIS A 52 7.460 17.986 -1.324 1.00 52.40 H new ATOM 828 N GLU A 53 9.892 14.378 -7.409 1.00 42.13 N ATOM 829 CA GLU A 53 10.580 13.900 -8.603 1.00 32.11 C ATOM 830 C GLU A 53 10.912 15.057 -9.540 1.00 55.42 C ATOM 831 O GLU A 53 10.098 15.957 -9.746 1.00 75.42 O ATOM 832 CB GLU A 53 9.720 12.867 -9.335 1.00 10.15 C ATOM 833 CG GLU A 53 9.060 11.859 -8.409 1.00 24.32 C ATOM 834 CD GLU A 53 8.592 10.615 -9.140 1.00 14.54 C ATOM 835 OE1 GLU A 53 7.742 10.746 -10.045 1.00 73.45 O ATOM 836 OE2 GLU A 53 9.074 9.513 -8.806 1.00 11.22 O ATOM 0 H GLU A 53 8.968 14.774 -7.584 1.00 42.13 H new ATOM 0 HA GLU A 53 11.512 13.430 -8.290 1.00 32.11 H new ATOM 0 HB2 GLU A 53 8.948 13.386 -9.903 1.00 10.15 H new ATOM 0 HB3 GLU A 53 10.341 12.334 -10.055 1.00 10.15 H new ATOM 0 HG2 GLU A 53 9.764 11.573 -7.628 1.00 24.32 H new ATOM 0 HG3 GLU A 53 8.209 12.328 -7.915 1.00 24.32 H new ATOM 843 N GLY A 54 12.115 15.028 -10.106 1.00 33.54 N ATOM 844 CA GLY A 54 12.534 16.079 -11.014 1.00 0.15 C ATOM 845 C GLY A 54 13.660 15.640 -11.929 1.00 12.23 C ATOM 846 O GLY A 54 14.045 14.471 -11.934 1.00 75.42 O ATOM 0 H GLY A 54 12.807 14.295 -9.951 1.00 33.54 H new ATOM 0 HA2 GLY A 54 11.683 16.395 -11.617 1.00 0.15 H new ATOM 0 HA3 GLY A 54 12.856 16.946 -10.437 1.00 0.15 H new ATOM 850 N TYR A 55 14.188 16.579 -12.706 1.00 24.13 N ATOM 851 CA TYR A 55 15.274 16.282 -13.632 1.00 62.15 C ATOM 852 C TYR A 55 16.616 16.734 -13.063 1.00 35.50 C ATOM 853 O TYR A 55 16.713 17.788 -12.435 1.00 24.44 O ATOM 854 CB TYR A 55 15.024 16.963 -14.979 1.00 71.11 C ATOM 855 CG TYR A 55 13.799 16.448 -15.700 1.00 35.13 C ATOM 856 CD1 TYR A 55 12.526 16.876 -15.340 1.00 63.14 C ATOM 857 CD2 TYR A 55 13.913 15.533 -16.739 1.00 35.22 C ATOM 858 CE1 TYR A 55 11.404 16.408 -15.995 1.00 74.33 C ATOM 859 CE2 TYR A 55 12.796 15.060 -17.400 1.00 54.43 C ATOM 860 CZ TYR A 55 11.544 15.500 -17.025 1.00 15.52 C ATOM 861 OH TYR A 55 10.428 15.031 -17.680 1.00 43.13 O ATOM 0 H TYR A 55 13.882 17.552 -12.713 1.00 24.13 H new ATOM 0 HA TYR A 55 15.307 15.202 -13.778 1.00 62.15 H new ATOM 0 HB2 TYR A 55 14.917 18.036 -14.820 1.00 71.11 H new ATOM 0 HB3 TYR A 55 15.897 16.821 -15.616 1.00 71.11 H new ATOM 0 HD1 TYR A 55 12.413 17.586 -14.534 1.00 63.14 H new ATOM 0 HD2 TYR A 55 14.892 15.185 -17.035 1.00 35.22 H new ATOM 0 HE1 TYR A 55 10.422 16.751 -15.703 1.00 74.33 H new ATOM 0 HE2 TYR A 55 12.903 14.349 -18.206 1.00 54.43 H new ATOM 0 HH TYR A 55 10.700 14.400 -18.379 1.00 43.13 H new ATOM 871 N VAL A 56 17.648 15.927 -13.288 1.00 42.43 N ATOM 872 CA VAL A 56 18.985 16.243 -12.800 1.00 43.20 C ATOM 873 C VAL A 56 20.056 15.669 -13.721 1.00 23.15 C ATOM 874 O VAL A 56 19.832 14.699 -14.445 1.00 24.10 O ATOM 875 CB VAL A 56 19.205 15.702 -11.375 1.00 33.12 C ATOM 876 CG1 VAL A 56 18.496 16.580 -10.355 1.00 5.51 C ATOM 877 CG2 VAL A 56 18.727 14.261 -11.273 1.00 51.31 C ATOM 0 H VAL A 56 17.584 15.050 -13.805 1.00 42.43 H new ATOM 0 HA VAL A 56 19.068 17.330 -12.785 1.00 43.20 H new ATOM 0 HB VAL A 56 20.273 15.723 -11.158 1.00 33.12 H new ATOM 0 HG11 VAL A 56 18.663 16.182 -9.354 1.00 5.51 H new ATOM 0 HG12 VAL A 56 18.890 17.595 -10.412 1.00 5.51 H new ATOM 0 HG13 VAL A 56 17.427 16.593 -10.567 1.00 5.51 H new ATOM 0 HG21 VAL A 56 18.890 13.894 -10.259 1.00 51.31 H new ATOM 0 HG22 VAL A 56 17.664 14.213 -11.510 1.00 51.31 H new ATOM 0 HG23 VAL A 56 19.284 13.642 -11.976 1.00 51.31 H new ATOM 887 N PRO A 57 21.250 16.280 -13.693 1.00 51.10 N ATOM 888 CA PRO A 57 22.381 15.846 -14.518 1.00 72.05 C ATOM 889 C PRO A 57 22.948 14.505 -14.066 1.00 33.32 C ATOM 890 O PRO A 57 23.151 14.277 -12.873 1.00 72.54 O ATOM 891 CB PRO A 57 23.414 16.958 -14.318 1.00 74.13 C ATOM 892 CG PRO A 57 23.081 17.550 -12.992 1.00 71.42 C ATOM 893 CD PRO A 57 21.588 17.442 -12.854 1.00 35.14 C ATOM 0 HA PRO A 57 22.092 15.696 -15.558 1.00 72.05 H new ATOM 0 HB2 PRO A 57 24.429 16.562 -14.331 1.00 74.13 H new ATOM 0 HB3 PRO A 57 23.352 17.703 -15.111 1.00 74.13 H new ATOM 0 HG2 PRO A 57 23.587 17.016 -12.188 1.00 71.42 H new ATOM 0 HG3 PRO A 57 23.404 18.590 -12.936 1.00 71.42 H new ATOM 0 HD2 PRO A 57 21.291 17.289 -11.817 1.00 35.14 H new ATOM 0 HD3 PRO A 57 21.086 18.346 -13.199 1.00 35.14 H new ATOM 901 N SER A 58 23.201 13.620 -15.025 1.00 44.53 N ATOM 902 CA SER A 58 23.742 12.300 -14.724 1.00 50.05 C ATOM 903 C SER A 58 25.231 12.383 -14.402 1.00 51.14 C ATOM 904 O SER A 58 25.757 11.578 -13.635 1.00 21.54 O ATOM 905 CB SER A 58 23.516 11.352 -15.904 1.00 11.30 C ATOM 906 OG SER A 58 23.883 10.025 -15.569 1.00 52.14 O ATOM 0 H SER A 58 23.040 13.793 -16.017 1.00 44.53 H new ATOM 0 HA SER A 58 23.220 11.912 -13.849 1.00 50.05 H new ATOM 0 HB2 SER A 58 22.467 11.379 -16.201 1.00 11.30 H new ATOM 0 HB3 SER A 58 24.099 11.688 -16.762 1.00 11.30 H new ATOM 0 HG SER A 58 23.082 9.515 -15.327 1.00 52.14 H new ATOM 912 N SER A 59 25.904 13.364 -14.995 1.00 64.34 N ATOM 913 CA SER A 59 27.334 13.551 -14.776 1.00 12.04 C ATOM 914 C SER A 59 27.635 13.740 -13.292 1.00 40.20 C ATOM 915 O SER A 59 28.759 13.517 -12.842 1.00 30.52 O ATOM 916 CB SER A 59 27.839 14.758 -15.568 1.00 62.03 C ATOM 917 OG SER A 59 28.696 15.564 -14.779 1.00 2.25 O ATOM 0 H SER A 59 25.482 14.041 -15.631 1.00 64.34 H new ATOM 0 HA SER A 59 27.850 12.656 -15.123 1.00 12.04 H new ATOM 0 HB2 SER A 59 28.371 14.417 -16.456 1.00 62.03 H new ATOM 0 HB3 SER A 59 26.992 15.351 -15.912 1.00 62.03 H new ATOM 0 HG SER A 59 28.165 16.234 -14.299 1.00 2.25 H new ATOM 923 N TYR A 60 26.623 14.154 -12.538 1.00 20.24 N ATOM 924 CA TYR A 60 26.779 14.376 -11.105 1.00 13.10 C ATOM 925 C TYR A 60 26.037 13.310 -10.305 1.00 23.35 C ATOM 926 O TYR A 60 25.750 13.492 -9.121 1.00 2.53 O ATOM 927 CB TYR A 60 26.264 15.765 -10.724 1.00 50.32 C ATOM 928 CG TYR A 60 26.971 16.891 -11.444 1.00 5.33 C ATOM 929 CD1 TYR A 60 26.787 17.097 -12.805 1.00 55.02 C ATOM 930 CD2 TYR A 60 27.824 17.750 -10.761 1.00 43.33 C ATOM 931 CE1 TYR A 60 27.432 18.124 -13.467 1.00 14.15 C ATOM 932 CE2 TYR A 60 28.472 18.781 -11.414 1.00 64.02 C ATOM 933 CZ TYR A 60 28.273 18.963 -12.767 1.00 2.42 C ATOM 934 OH TYR A 60 28.916 19.989 -13.422 1.00 25.44 O ATOM 0 H TYR A 60 25.686 14.343 -12.895 1.00 20.24 H new ATOM 0 HA TYR A 60 27.841 14.311 -10.866 1.00 13.10 H new ATOM 0 HB2 TYR A 60 25.197 15.820 -10.940 1.00 50.32 H new ATOM 0 HB3 TYR A 60 26.379 15.904 -9.649 1.00 50.32 H new ATOM 0 HD1 TYR A 60 26.128 16.443 -13.356 1.00 55.02 H new ATOM 0 HD2 TYR A 60 27.983 17.609 -9.702 1.00 43.33 H new ATOM 0 HE1 TYR A 60 27.278 18.269 -14.526 1.00 14.15 H new ATOM 0 HE2 TYR A 60 29.130 19.441 -10.868 1.00 64.02 H new ATOM 0 HH TYR A 60 29.470 20.487 -12.785 1.00 25.44 H new ATOM 944 N LEU A 61 25.730 12.195 -10.959 1.00 4.11 N ATOM 945 CA LEU A 61 25.023 11.097 -10.310 1.00 32.13 C ATOM 946 C LEU A 61 25.663 9.756 -10.656 1.00 2.43 C ATOM 947 O LEU A 61 25.960 9.480 -11.818 1.00 74.41 O ATOM 948 CB LEU A 61 23.551 11.095 -10.727 1.00 62.11 C ATOM 949 CG LEU A 61 22.645 12.087 -9.997 1.00 61.11 C ATOM 950 CD1 LEU A 61 21.333 12.262 -10.745 1.00 73.33 C ATOM 951 CD2 LEU A 61 22.390 11.625 -8.570 1.00 10.54 C ATOM 0 H LEU A 61 25.960 12.028 -11.939 1.00 4.11 H new ATOM 0 HA LEU A 61 25.089 11.242 -9.232 1.00 32.13 H new ATOM 0 HB2 LEU A 61 23.497 11.303 -11.796 1.00 62.11 H new ATOM 0 HB3 LEU A 61 23.153 10.092 -10.577 1.00 62.11 H new ATOM 0 HG LEU A 61 23.150 13.052 -9.961 1.00 61.11 H new ATOM 0 HD11 LEU A 61 20.701 12.971 -10.211 1.00 73.33 H new ATOM 0 HD12 LEU A 61 21.533 12.639 -11.748 1.00 73.33 H new ATOM 0 HD13 LEU A 61 20.822 11.301 -10.813 1.00 73.33 H new ATOM 0 HD21 LEU A 61 21.743 12.343 -8.065 1.00 10.54 H new ATOM 0 HD22 LEU A 61 21.906 10.648 -8.585 1.00 10.54 H new ATOM 0 HD23 LEU A 61 23.338 11.552 -8.036 1.00 10.54 H new ATOM 963 N VAL A 62 25.872 8.926 -9.639 1.00 2.22 N ATOM 964 CA VAL A 62 26.474 7.613 -9.835 1.00 61.14 C ATOM 965 C VAL A 62 25.525 6.502 -9.399 1.00 51.54 C ATOM 966 O VAL A 62 25.040 6.496 -8.268 1.00 64.24 O ATOM 967 CB VAL A 62 27.796 7.479 -9.056 1.00 32.11 C ATOM 968 CG1 VAL A 62 28.320 6.053 -9.135 1.00 1.25 C ATOM 969 CG2 VAL A 62 28.827 8.465 -9.583 1.00 62.23 C ATOM 0 H VAL A 62 25.633 9.140 -8.671 1.00 2.22 H new ATOM 0 HA VAL A 62 26.678 7.515 -10.901 1.00 61.14 H new ATOM 0 HB VAL A 62 27.606 7.713 -8.009 1.00 32.11 H new ATOM 0 HG11 VAL A 62 29.254 5.977 -8.579 1.00 1.25 H new ATOM 0 HG12 VAL A 62 27.586 5.371 -8.705 1.00 1.25 H new ATOM 0 HG13 VAL A 62 28.496 5.787 -10.177 1.00 1.25 H new ATOM 0 HG21 VAL A 62 29.755 8.356 -9.021 1.00 62.23 H new ATOM 0 HG22 VAL A 62 29.016 8.265 -10.638 1.00 62.23 H new ATOM 0 HG23 VAL A 62 28.450 9.481 -9.468 1.00 62.23 H new ATOM 979 N GLU A 63 25.264 5.565 -10.305 1.00 22.30 N ATOM 980 CA GLU A 63 24.372 4.449 -10.013 1.00 70.11 C ATOM 981 C GLU A 63 24.823 3.705 -8.759 1.00 63.05 C ATOM 982 O GLU A 63 25.908 3.123 -8.725 1.00 73.23 O ATOM 983 CB GLU A 63 24.319 3.485 -11.200 1.00 43.02 C ATOM 984 CG GLU A 63 22.953 3.406 -11.860 1.00 52.10 C ATOM 985 CD GLU A 63 22.790 2.166 -12.717 1.00 74.10 C ATOM 986 OE1 GLU A 63 22.652 1.064 -12.147 1.00 31.34 O ATOM 987 OE2 GLU A 63 22.799 2.298 -13.959 1.00 2.21 O ATOM 0 H GLU A 63 25.657 5.556 -11.246 1.00 22.30 H new ATOM 0 HA GLU A 63 23.375 4.852 -9.836 1.00 70.11 H new ATOM 0 HB2 GLU A 63 25.054 3.795 -11.942 1.00 43.02 H new ATOM 0 HB3 GLU A 63 24.608 2.490 -10.862 1.00 43.02 H new ATOM 0 HG2 GLU A 63 22.181 3.415 -11.091 1.00 52.10 H new ATOM 0 HG3 GLU A 63 22.800 4.292 -12.476 1.00 52.10 H new ATOM 994 N LYS A 64 23.984 3.729 -7.730 1.00 13.01 N ATOM 995 CA LYS A 64 24.294 3.057 -6.473 1.00 54.35 C ATOM 996 C LYS A 64 24.167 1.544 -6.620 1.00 0.32 C ATOM 997 O LYS A 64 23.065 0.998 -6.582 1.00 72.44 O ATOM 998 CB LYS A 64 23.363 3.553 -5.364 1.00 25.43 C ATOM 999 CG LYS A 64 23.720 3.018 -3.987 1.00 42.04 C ATOM 1000 CD LYS A 64 22.994 1.717 -3.689 1.00 64.23 C ATOM 1001 CE LYS A 64 23.139 1.320 -2.228 1.00 61.02 C ATOM 1002 NZ LYS A 64 22.276 0.157 -1.881 1.00 52.31 N ATOM 0 H LYS A 64 23.083 4.207 -7.741 1.00 13.01 H new ATOM 0 HA LYS A 64 25.324 3.293 -6.207 1.00 54.35 H new ATOM 0 HB2 LYS A 64 23.389 4.642 -5.339 1.00 25.43 H new ATOM 0 HB3 LYS A 64 22.340 3.264 -5.603 1.00 25.43 H new ATOM 0 HG2 LYS A 64 24.796 2.857 -3.926 1.00 42.04 H new ATOM 0 HG3 LYS A 64 23.465 3.760 -3.230 1.00 42.04 H new ATOM 0 HD2 LYS A 64 21.938 1.824 -3.935 1.00 64.23 H new ATOM 0 HD3 LYS A 64 23.390 0.924 -4.324 1.00 64.23 H new ATOM 0 HE2 LYS A 64 24.180 1.074 -2.020 1.00 61.02 H new ATOM 0 HE3 LYS A 64 22.879 2.167 -1.594 1.00 61.02 H new ATOM 0 HZ1 LYS A 64 22.404 -0.083 -0.877 1.00 52.31 H new ATOM 0 HZ2 LYS A 64 21.280 0.400 -2.055 1.00 52.31 H new ATOM 0 HZ3 LYS A 64 22.541 -0.659 -2.468 1.00 52.31 H new