USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 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 59 GLN : amide:sc= -3.74 K(o=-3.7,f=-12!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.077) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 39:sc= 0.108 USER MOD Single : A 22 ASN : amide:sc= 0.481 K(o=0.48,f=-2.6!) USER MOD Single : A 23 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.35) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.83) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00422 USER MOD Single : A 42 TYR OH : rot 15:sc= -0.749 USER MOD Single : A 57 HIS : no HE2:sc= -0.878 X(o=-0.88,f=-1.1) USER MOD Single : A 63 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.3!) USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= -0.454 (180deg=-3.51!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.16 X(o=-2.2,f=-2.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 71 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.4!) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0309 (180deg=-0.232) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.0069 USER MOD Single : A 81 CYS SG : rot 10:sc= -0.734 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.69) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.369 F(o=-2.7!,f=-0.37) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 75:sc= -0.547 USER MOD Single : A 98 SER OG : rot -39:sc= 0.0672 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 105 MET CE :methyl 161:sc= -2.8 (180deg=-3.28) USER MOD Single : A 107 CYS SG : rot 28:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.631 -1.595 2.349 1.00 74.23 N ATOM 148 CA GLN A 12 15.420 -0.502 3.290 1.00 45.51 C ATOM 149 C GLN A 12 13.979 -0.007 3.237 1.00 52.24 C ATOM 150 O GLN A 12 13.252 -0.239 2.270 1.00 24.52 O ATOM 151 CB GLN A 12 16.379 0.651 2.987 1.00 3.22 C ATOM 152 CG GLN A 12 17.582 0.702 3.915 1.00 23.41 C ATOM 153 CD GLN A 12 18.899 0.688 3.165 1.00 63.25 C ATOM 154 OE1 GLN A 12 19.789 -0.110 3.462 1.00 35.33 O ATOM 155 NE2 GLN A 12 19.032 1.573 2.184 1.00 14.40 N ATOM 0 HA GLN A 12 15.618 -0.877 4.294 1.00 45.51 H new ATOM 0 HB2 GLN A 12 16.728 0.562 1.958 1.00 3.22 H new ATOM 0 HB3 GLN A 12 15.835 1.593 3.058 1.00 3.22 H new ATOM 0 HG2 GLN A 12 17.526 1.603 4.527 1.00 23.41 H new ATOM 0 HG3 GLN A 12 17.547 -0.148 4.596 1.00 23.41 H new ATOM 0 HE21 GLN A 12 18.270 2.216 1.971 1.00 14.40 H new ATOM 0 HE22 GLN A 12 19.896 1.609 1.644 1.00 14.40 H new ATOM 164 N PRO A 13 13.553 0.692 4.299 1.00 12.12 N ATOM 165 CA PRO A 13 12.194 1.234 4.397 1.00 4.41 C ATOM 166 C PRO A 13 11.957 2.383 3.423 1.00 3.41 C ATOM 167 O PRO A 13 12.856 3.184 3.161 1.00 72.21 O ATOM 168 CB PRO A 13 12.115 1.733 5.842 1.00 10.21 C ATOM 169 CG PRO A 13 13.527 2.016 6.224 1.00 61.54 C ATOM 170 CD PRO A 13 14.365 1.007 5.487 1.00 54.24 C ATOM 0 HA PRO A 13 11.439 0.489 4.147 1.00 4.41 H new ATOM 0 HB2 PRO A 13 11.497 2.628 5.918 1.00 10.21 H new ATOM 0 HB3 PRO A 13 11.671 0.983 6.496 1.00 10.21 H new ATOM 0 HG2 PRO A 13 13.809 3.033 5.950 1.00 61.54 H new ATOM 0 HG3 PRO A 13 13.665 1.926 7.301 1.00 61.54 H new ATOM 0 HD2 PRO A 13 15.337 1.416 5.212 1.00 54.24 H new ATOM 0 HD3 PRO A 13 14.552 0.120 6.093 1.00 54.24 H new ATOM 178 N HIS A 14 10.742 2.460 2.890 1.00 62.25 N ATOM 179 CA HIS A 14 10.387 3.513 1.945 1.00 71.44 C ATOM 180 C HIS A 14 9.101 4.214 2.371 1.00 2.44 C ATOM 181 O HIS A 14 8.491 3.857 3.379 1.00 30.31 O ATOM 182 CB HIS A 14 10.223 2.932 0.540 1.00 52.02 C ATOM 183 CG HIS A 14 11.346 2.030 0.129 1.00 11.23 C ATOM 184 ND1 HIS A 14 11.179 0.683 -0.113 1.00 22.03 N ATOM 185 CD2 HIS A 14 12.657 2.290 -0.083 1.00 62.32 C ATOM 186 CE1 HIS A 14 12.340 0.152 -0.455 1.00 13.53 C ATOM 187 NE2 HIS A 14 13.253 1.107 -0.445 1.00 21.42 N ATOM 0 H HIS A 14 9.987 1.806 3.096 1.00 62.25 H new ATOM 0 HA HIS A 14 11.194 4.246 1.935 1.00 71.44 H new ATOM 0 HB2 HIS A 14 9.286 2.377 0.493 1.00 52.02 H new ATOM 0 HB3 HIS A 14 10.145 3.750 -0.176 1.00 52.02 H new ATOM 0 HD2 HIS A 14 13.144 3.249 0.014 1.00 62.32 H new ATOM 0 HE1 HIS A 14 12.513 -0.885 -0.701 1.00 13.53 H new ATOM 0 HE2 HIS A 14 14.240 0.985 -0.670 1.00 21.42 H new ATOM 195 N LYS A 15 8.695 5.216 1.598 1.00 30.14 N ATOM 196 CA LYS A 15 7.482 5.968 1.895 1.00 52.40 C ATOM 197 C LYS A 15 6.344 5.555 0.966 1.00 5.04 C ATOM 198 O LYS A 15 5.357 6.276 0.820 1.00 62.31 O ATOM 199 CB LYS A 15 7.743 7.470 1.761 1.00 2.43 C ATOM 200 CG LYS A 15 8.453 7.852 0.474 1.00 51.02 C ATOM 201 CD LYS A 15 9.856 8.369 0.743 1.00 63.33 C ATOM 202 CE LYS A 15 9.883 9.887 0.837 1.00 71.50 C ATOM 203 NZ LYS A 15 11.266 10.425 0.722 1.00 44.21 N ATOM 0 H LYS A 15 9.189 5.526 0.761 1.00 30.14 H new ATOM 0 HA LYS A 15 7.189 5.746 2.921 1.00 52.40 H new ATOM 0 HB2 LYS A 15 6.793 8.001 1.813 1.00 2.43 H new ATOM 0 HB3 LYS A 15 8.342 7.803 2.609 1.00 2.43 H new ATOM 0 HG2 LYS A 15 8.504 6.986 -0.185 1.00 51.02 H new ATOM 0 HG3 LYS A 15 7.877 8.616 -0.048 1.00 51.02 H new ATOM 0 HD2 LYS A 15 10.231 7.939 1.672 1.00 63.33 H new ATOM 0 HD3 LYS A 15 10.525 8.041 -0.053 1.00 63.33 H new ATOM 0 HE2 LYS A 15 9.262 10.311 0.048 1.00 71.50 H new ATOM 0 HE3 LYS A 15 9.449 10.200 1.787 1.00 71.50 H new ATOM 0 HZ1 LYS A 15 11.242 11.462 0.791 1.00 44.21 H new ATOM 0 HZ2 LYS A 15 11.853 10.041 1.490 1.00 44.21 H new ATOM 0 HZ3 LYS A 15 11.671 10.148 -0.195 1.00 44.21 H new ATOM 217 N ARG A 16 6.489 4.390 0.343 1.00 44.43 N ATOM 218 CA ARG A 16 5.474 3.882 -0.571 1.00 71.42 C ATOM 219 C ARG A 16 5.290 2.377 -0.396 1.00 71.13 C ATOM 220 O ARG A 16 6.254 1.614 -0.450 1.00 61.52 O ATOM 221 CB ARG A 16 5.857 4.194 -2.019 1.00 2.43 C ATOM 222 CG ARG A 16 6.082 5.674 -2.283 1.00 40.30 C ATOM 223 CD ARG A 16 6.568 5.919 -3.703 1.00 51.00 C ATOM 224 NE ARG A 16 8.016 6.101 -3.762 1.00 72.45 N ATOM 225 CZ ARG A 16 8.704 6.149 -4.897 1.00 64.14 C ATOM 226 NH1 ARG A 16 8.080 6.030 -6.061 1.00 41.30 N ATOM 227 NH2 ARG A 16 10.020 6.317 -4.870 1.00 23.23 N ATOM 0 H ARG A 16 7.299 3.781 0.455 1.00 44.43 H new ATOM 0 HA ARG A 16 4.531 4.377 -0.338 1.00 71.42 H new ATOM 0 HB2 ARG A 16 6.765 3.646 -2.272 1.00 2.43 H new ATOM 0 HB3 ARG A 16 5.070 3.831 -2.681 1.00 2.43 H new ATOM 0 HG2 ARG A 16 5.153 6.220 -2.116 1.00 40.30 H new ATOM 0 HG3 ARG A 16 6.813 6.064 -1.575 1.00 40.30 H new ATOM 0 HD2 ARG A 16 6.282 5.077 -4.334 1.00 51.00 H new ATOM 0 HD3 ARG A 16 6.075 6.803 -4.108 1.00 51.00 H new ATOM 0 HE ARG A 16 8.526 6.196 -2.884 1.00 72.45 H new ATOM 0 HH11 ARG A 16 7.068 5.901 -6.087 1.00 41.30 H new ATOM 0 HH12 ARG A 16 8.612 6.067 -6.931 1.00 41.30 H new ATOM 0 HH21 ARG A 16 10.504 6.409 -3.977 1.00 23.23 H new ATOM 0 HH22 ARG A 16 10.547 6.354 -5.742 1.00 23.23 H new ATOM 241 N TRP A 17 4.047 1.959 -0.186 1.00 60.14 N ATOM 242 CA TRP A 17 3.737 0.545 -0.003 1.00 0.50 C ATOM 243 C TRP A 17 2.323 0.232 -0.480 1.00 1.03 C ATOM 244 O TRP A 17 1.383 0.973 -0.194 1.00 54.32 O ATOM 245 CB TRP A 17 3.891 0.155 1.468 1.00 52.31 C ATOM 246 CG TRP A 17 5.319 0.067 1.913 1.00 43.12 C ATOM 247 CD1 TRP A 17 6.047 1.044 2.531 1.00 61.43 C ATOM 248 CD2 TRP A 17 6.193 -1.059 1.772 1.00 13.31 C ATOM 249 NE1 TRP A 17 7.320 0.593 2.783 1.00 64.25 N ATOM 250 CE2 TRP A 17 7.435 -0.694 2.328 1.00 71.24 C ATOM 251 CE3 TRP A 17 6.046 -2.339 1.233 1.00 20.50 C ATOM 252 CZ2 TRP A 17 8.521 -1.565 2.357 1.00 40.21 C ATOM 253 CZ3 TRP A 17 7.125 -3.202 1.263 1.00 60.34 C ATOM 254 CH2 TRP A 17 8.349 -2.813 1.822 1.00 43.50 C ATOM 0 H TRP A 17 3.238 2.578 -0.138 1.00 60.14 H new ATOM 0 HA TRP A 17 4.439 -0.036 -0.601 1.00 0.50 H new ATOM 0 HB2 TRP A 17 3.370 0.886 2.087 1.00 52.31 H new ATOM 0 HB3 TRP A 17 3.406 -0.807 1.634 1.00 52.31 H new ATOM 0 HD1 TRP A 17 5.676 2.026 2.784 1.00 61.43 H new ATOM 0 HE1 TRP A 17 8.060 1.130 3.236 1.00 64.25 H new ATOM 0 HE3 TRP A 17 5.106 -2.649 0.801 1.00 20.50 H new ATOM 0 HZ2 TRP A 17 9.466 -1.266 2.787 1.00 40.21 H new ATOM 0 HZ3 TRP A 17 7.023 -4.194 0.848 1.00 60.34 H new ATOM 0 HH2 TRP A 17 9.173 -3.511 1.831 1.00 43.50 H new ATOM 265 N VAL A 18 2.179 -0.871 -1.207 1.00 64.05 N ATOM 266 CA VAL A 18 0.879 -1.283 -1.723 1.00 1.03 C ATOM 267 C VAL A 18 0.364 -2.517 -0.991 1.00 20.21 C ATOM 268 O VAL A 18 1.130 -3.235 -0.347 1.00 75.11 O ATOM 269 CB VAL A 18 0.943 -1.584 -3.232 1.00 1.11 C ATOM 270 CG1 VAL A 18 1.405 -0.356 -4.002 1.00 71.32 C ATOM 271 CG2 VAL A 18 1.860 -2.768 -3.500 1.00 54.13 C ATOM 0 H VAL A 18 2.947 -1.496 -1.452 1.00 64.05 H new ATOM 0 HA VAL A 18 0.194 -0.452 -1.555 1.00 1.03 H new ATOM 0 HB VAL A 18 -0.058 -1.844 -3.576 1.00 1.11 H new ATOM 0 HG11 VAL A 18 1.444 -0.587 -5.066 1.00 71.32 H new ATOM 0 HG12 VAL A 18 0.706 0.463 -3.834 1.00 71.32 H new ATOM 0 HG13 VAL A 18 2.397 -0.063 -3.658 1.00 71.32 H new ATOM 0 HG21 VAL A 18 1.894 -2.967 -4.571 1.00 54.13 H new ATOM 0 HG22 VAL A 18 2.864 -2.539 -3.142 1.00 54.13 H new ATOM 0 HG23 VAL A 18 1.481 -3.647 -2.979 1.00 54.13 H new ATOM 281 N PHE A 19 -0.939 -2.759 -1.094 1.00 44.04 N ATOM 282 CA PHE A 19 -1.557 -3.907 -0.442 1.00 33.02 C ATOM 283 C PHE A 19 -2.539 -4.602 -1.381 1.00 22.54 C ATOM 284 O PHE A 19 -3.213 -3.956 -2.183 1.00 70.24 O ATOM 285 CB PHE A 19 -2.279 -3.468 0.834 1.00 5.31 C ATOM 286 CG PHE A 19 -3.269 -2.361 0.612 1.00 74.11 C ATOM 287 CD1 PHE A 19 -2.848 -1.045 0.515 1.00 2.23 C ATOM 288 CD2 PHE A 19 -4.623 -2.637 0.500 1.00 24.10 C ATOM 289 CE1 PHE A 19 -3.757 -0.024 0.310 1.00 10.04 C ATOM 290 CE2 PHE A 19 -5.536 -1.621 0.295 1.00 53.33 C ATOM 291 CZ PHE A 19 -5.103 -0.312 0.201 1.00 32.40 C ATOM 0 H PHE A 19 -1.587 -2.175 -1.623 1.00 44.04 H new ATOM 0 HA PHE A 19 -0.769 -4.613 -0.181 1.00 33.02 H new ATOM 0 HB2 PHE A 19 -2.796 -4.326 1.263 1.00 5.31 H new ATOM 0 HB3 PHE A 19 -1.540 -3.142 1.566 1.00 5.31 H new ATOM 0 HD1 PHE A 19 -1.797 -0.814 0.601 1.00 2.23 H new ATOM 0 HD2 PHE A 19 -4.968 -3.658 0.574 1.00 24.10 H new ATOM 0 HE1 PHE A 19 -3.415 0.998 0.235 1.00 10.04 H new ATOM 0 HE2 PHE A 19 -6.588 -1.850 0.208 1.00 53.33 H new ATOM 0 HZ PHE A 19 -5.816 0.484 0.043 1.00 32.40 H new ATOM 301 N THR A 20 -2.614 -5.926 -1.274 1.00 43.45 N ATOM 302 CA THR A 20 -3.510 -6.710 -2.114 1.00 33.22 C ATOM 303 C THR A 20 -3.988 -7.962 -1.388 1.00 20.53 C ATOM 304 O THR A 20 -3.184 -8.730 -0.858 1.00 64.41 O ATOM 305 CB THR A 20 -2.828 -7.123 -3.432 1.00 33.43 C ATOM 306 OG1 THR A 20 -1.627 -7.851 -3.154 1.00 45.12 O ATOM 307 CG2 THR A 20 -2.504 -5.902 -4.279 1.00 63.40 C ATOM 0 H THR A 20 -2.065 -6.477 -0.614 1.00 43.45 H new ATOM 0 HA THR A 20 -4.366 -6.075 -2.341 1.00 33.22 H new ATOM 0 HB THR A 20 -3.516 -7.759 -3.989 1.00 33.43 H new ATOM 0 HG1 THR A 20 -1.772 -8.438 -2.383 1.00 45.12 H new ATOM 0 HG21 THR A 20 -2.023 -6.218 -5.205 1.00 63.40 H new ATOM 0 HG22 THR A 20 -3.424 -5.367 -4.513 1.00 63.40 H new ATOM 0 HG23 THR A 20 -1.832 -5.244 -3.727 1.00 63.40 H new ATOM 315 N LEU A 21 -5.301 -8.164 -1.367 1.00 1.13 N ATOM 316 CA LEU A 21 -5.886 -9.325 -0.705 1.00 53.05 C ATOM 317 C LEU A 21 -7.046 -9.888 -1.520 1.00 71.54 C ATOM 318 O LEU A 21 -7.933 -9.151 -1.948 1.00 30.01 O ATOM 319 CB LEU A 21 -6.369 -8.949 0.697 1.00 44.24 C ATOM 320 CG LEU A 21 -6.950 -10.088 1.535 1.00 60.14 C ATOM 321 CD1 LEU A 21 -5.878 -10.695 2.427 1.00 74.02 C ATOM 322 CD2 LEU A 21 -8.123 -9.592 2.368 1.00 62.40 C ATOM 0 H LEU A 21 -5.981 -7.539 -1.801 1.00 1.13 H new ATOM 0 HA LEU A 21 -5.116 -10.092 -0.623 1.00 53.05 H new ATOM 0 HB2 LEU A 21 -5.532 -8.513 1.243 1.00 44.24 H new ATOM 0 HB3 LEU A 21 -7.127 -8.171 0.602 1.00 44.24 H new ATOM 0 HG LEU A 21 -7.312 -10.863 0.859 1.00 60.14 H new ATOM 0 HD11 LEU A 21 -6.310 -11.504 3.016 1.00 74.02 H new ATOM 0 HD12 LEU A 21 -5.070 -11.087 1.809 1.00 74.02 H new ATOM 0 HD13 LEU A 21 -5.485 -9.929 3.096 1.00 74.02 H new ATOM 0 HD21 LEU A 21 -8.524 -10.416 2.958 1.00 62.40 H new ATOM 0 HD22 LEU A 21 -7.786 -8.798 3.035 1.00 62.40 H new ATOM 0 HD23 LEU A 21 -8.900 -9.206 1.708 1.00 62.40 H new ATOM 334 N ASN A 22 -7.033 -11.201 -1.730 1.00 1.13 N ATOM 335 CA ASN A 22 -8.085 -11.864 -2.492 1.00 3.11 C ATOM 336 C ASN A 22 -9.328 -12.075 -1.633 1.00 70.33 C ATOM 337 O ASN A 22 -9.240 -12.553 -0.503 1.00 11.41 O ATOM 338 CB ASN A 22 -7.586 -13.208 -3.027 1.00 0.14 C ATOM 339 CG ASN A 22 -6.912 -14.042 -1.955 1.00 22.33 C ATOM 340 OD1 ASN A 22 -5.818 -13.715 -1.494 1.00 70.10 O ATOM 341 ND2 ASN A 22 -7.563 -15.127 -1.553 1.00 35.34 N ATOM 0 H ASN A 22 -6.306 -11.826 -1.383 1.00 1.13 H new ATOM 0 HA ASN A 22 -8.351 -11.222 -3.332 1.00 3.11 H new ATOM 0 HB2 ASN A 22 -8.426 -13.765 -3.443 1.00 0.14 H new ATOM 0 HB3 ASN A 22 -6.884 -13.034 -3.843 1.00 0.14 H new ATOM 0 HD21 ASN A 22 -7.159 -15.728 -0.835 1.00 35.34 H new ATOM 0 HD22 ASN A 22 -8.468 -15.360 -1.963 1.00 35.34 H new ATOM 348 N ASN A 23 -10.486 -11.717 -2.179 1.00 45.33 N ATOM 349 CA ASN A 23 -11.747 -11.867 -1.464 1.00 33.04 C ATOM 350 C ASN A 23 -11.665 -11.235 -0.078 1.00 13.53 C ATOM 351 O ASN A 23 -11.705 -11.917 0.947 1.00 41.44 O ATOM 352 CB ASN A 23 -12.114 -13.347 -1.340 1.00 73.21 C ATOM 353 CG ASN A 23 -13.412 -13.560 -0.586 1.00 14.05 C ATOM 354 OD1 ASN A 23 -13.488 -14.391 0.320 1.00 51.31 O ATOM 355 ND2 ASN A 23 -14.442 -12.808 -0.956 1.00 73.25 N ATOM 0 H ASN A 23 -10.576 -11.321 -3.115 1.00 45.33 H new ATOM 0 HA ASN A 23 -12.522 -11.353 -2.033 1.00 33.04 H new ATOM 0 HB2 ASN A 23 -12.200 -13.782 -2.336 1.00 73.21 H new ATOM 0 HB3 ASN A 23 -11.309 -13.876 -0.830 1.00 73.21 H new ATOM 0 HD21 ASN A 23 -15.341 -12.907 -0.484 1.00 73.25 H new ATOM 0 HD22 ASN A 23 -14.334 -12.132 -1.712 1.00 73.25 H new ATOM 362 N PRO A 24 -11.549 -9.899 -0.043 1.00 3.31 N ATOM 363 CA PRO A 24 -11.460 -9.144 1.211 1.00 61.31 C ATOM 364 C PRO A 24 -12.774 -9.148 1.984 1.00 53.32 C ATOM 365 O PRO A 24 -13.854 -9.140 1.392 1.00 65.51 O ATOM 366 CB PRO A 24 -11.115 -7.726 0.748 1.00 75.50 C ATOM 367 CG PRO A 24 -11.643 -7.643 -0.643 1.00 20.42 C ATOM 368 CD PRO A 24 -11.495 -9.022 -1.225 1.00 12.02 C ATOM 0 HA PRO A 24 -10.727 -9.573 1.894 1.00 61.31 H new ATOM 0 HB2 PRO A 24 -11.575 -6.976 1.392 1.00 75.50 H new ATOM 0 HB3 PRO A 24 -10.039 -7.552 0.774 1.00 75.50 H new ATOM 0 HG2 PRO A 24 -12.686 -7.328 -0.646 1.00 20.42 H new ATOM 0 HG3 PRO A 24 -11.087 -6.911 -1.228 1.00 20.42 H new ATOM 0 HD2 PRO A 24 -12.295 -9.248 -1.930 1.00 12.02 H new ATOM 0 HD3 PRO A 24 -10.554 -9.132 -1.764 1.00 12.02 H new ATOM 376 N SER A 25 -12.676 -9.158 3.309 1.00 30.43 N ATOM 377 CA SER A 25 -13.858 -9.166 4.163 1.00 21.14 C ATOM 378 C SER A 25 -14.321 -7.744 4.463 1.00 52.43 C ATOM 379 O SER A 25 -13.558 -6.789 4.323 1.00 44.14 O ATOM 380 CB SER A 25 -13.564 -9.904 5.471 1.00 64.33 C ATOM 381 OG SER A 25 -14.307 -11.108 5.555 1.00 3.01 O ATOM 0 H SER A 25 -11.790 -9.161 3.815 1.00 30.43 H new ATOM 0 HA SER A 25 -14.655 -9.686 3.632 1.00 21.14 H new ATOM 0 HB2 SER A 25 -12.499 -10.125 5.536 1.00 64.33 H new ATOM 0 HB3 SER A 25 -13.809 -9.262 6.317 1.00 64.33 H new ATOM 0 HG SER A 25 -14.100 -11.562 6.399 1.00 3.01 H new ATOM 387 N GLU A 26 -15.578 -7.612 4.875 1.00 10.33 N ATOM 388 CA GLU A 26 -16.144 -6.306 5.194 1.00 42.15 C ATOM 389 C GLU A 26 -15.412 -5.668 6.371 1.00 62.12 C ATOM 390 O GLU A 26 -15.321 -4.444 6.470 1.00 60.34 O ATOM 391 CB GLU A 26 -17.634 -6.436 5.515 1.00 10.23 C ATOM 392 CG GLU A 26 -18.538 -5.770 4.492 1.00 51.33 C ATOM 393 CD GLU A 26 -19.777 -5.160 5.117 1.00 14.32 C ATOM 394 OE1 GLU A 26 -20.461 -5.866 5.888 1.00 51.02 O ATOM 395 OE2 GLU A 26 -20.064 -3.977 4.836 1.00 21.35 O ATOM 0 H GLU A 26 -16.223 -8.393 4.996 1.00 10.33 H new ATOM 0 HA GLU A 26 -16.022 -5.663 4.322 1.00 42.15 H new ATOM 0 HB2 GLU A 26 -17.892 -7.493 5.581 1.00 10.23 H new ATOM 0 HB3 GLU A 26 -17.825 -5.999 6.495 1.00 10.23 H new ATOM 0 HG2 GLU A 26 -17.979 -4.993 3.970 1.00 51.33 H new ATOM 0 HG3 GLU A 26 -18.837 -6.505 3.744 1.00 51.33 H new ATOM 402 N ASP A 27 -14.892 -6.506 7.261 1.00 71.22 N ATOM 403 CA ASP A 27 -14.168 -6.026 8.432 1.00 45.45 C ATOM 404 C ASP A 27 -12.754 -5.592 8.055 1.00 12.45 C ATOM 405 O ASP A 27 -12.276 -4.550 8.503 1.00 45.04 O ATOM 406 CB ASP A 27 -14.112 -7.113 9.505 1.00 24.42 C ATOM 407 CG ASP A 27 -13.861 -6.548 10.890 1.00 74.15 C ATOM 408 OD1 ASP A 27 -12.680 -6.422 11.274 1.00 51.55 O ATOM 409 OD2 ASP A 27 -14.847 -6.233 11.589 1.00 21.23 O ATOM 0 H ASP A 27 -14.958 -7.522 7.194 1.00 71.22 H new ATOM 0 HA ASP A 27 -14.701 -5.162 8.830 1.00 45.45 H new ATOM 0 HB2 ASP A 27 -15.051 -7.667 9.506 1.00 24.42 H new ATOM 0 HB3 ASP A 27 -13.323 -7.824 9.257 1.00 24.42 H new ATOM 414 N GLU A 28 -12.092 -6.398 7.232 1.00 31.40 N ATOM 415 CA GLU A 28 -10.733 -6.098 6.798 1.00 1.31 C ATOM 416 C GLU A 28 -10.716 -4.902 5.850 1.00 74.10 C ATOM 417 O GLU A 28 -9.914 -3.982 6.009 1.00 54.43 O ATOM 418 CB GLU A 28 -10.112 -7.316 6.111 1.00 2.24 C ATOM 419 CG GLU A 28 -8.713 -7.645 6.604 1.00 5.40 C ATOM 420 CD GLU A 28 -8.718 -8.607 7.776 1.00 62.34 C ATOM 421 OE1 GLU A 28 -9.814 -8.902 8.295 1.00 35.42 O ATOM 422 OE2 GLU A 28 -7.626 -9.065 8.173 1.00 32.10 O ATOM 0 H GLU A 28 -12.475 -7.264 6.852 1.00 31.40 H new ATOM 0 HA GLU A 28 -10.144 -5.849 7.681 1.00 1.31 H new ATOM 0 HB2 GLU A 28 -10.757 -8.180 6.270 1.00 2.24 H new ATOM 0 HB3 GLU A 28 -10.077 -7.138 5.036 1.00 2.24 H new ATOM 0 HG2 GLU A 28 -8.136 -8.077 5.786 1.00 5.40 H new ATOM 0 HG3 GLU A 28 -8.209 -6.724 6.897 1.00 5.40 H new ATOM 429 N ARG A 29 -11.607 -4.924 4.864 1.00 70.22 N ATOM 430 CA ARG A 29 -11.694 -3.844 3.889 1.00 52.22 C ATOM 431 C ARG A 29 -12.060 -2.527 4.567 1.00 34.15 C ATOM 432 O ARG A 29 -11.577 -1.462 4.183 1.00 73.15 O ATOM 433 CB ARG A 29 -12.729 -4.181 2.814 1.00 40.24 C ATOM 434 CG ARG A 29 -12.969 -3.052 1.825 1.00 55.13 C ATOM 435 CD ARG A 29 -14.437 -2.654 1.779 1.00 24.41 C ATOM 436 NE ARG A 29 -15.136 -3.272 0.656 1.00 34.51 N ATOM 437 CZ ARG A 29 -16.349 -2.908 0.256 1.00 54.13 C ATOM 438 NH1 ARG A 29 -16.993 -1.934 0.883 1.00 13.52 N ATOM 439 NH2 ARG A 29 -16.921 -3.518 -0.775 1.00 25.31 N ATOM 0 H ARG A 29 -12.279 -5.678 4.719 1.00 70.22 H new ATOM 0 HA ARG A 29 -10.716 -3.732 3.420 1.00 52.22 H new ATOM 0 HB2 ARG A 29 -12.400 -5.066 2.269 1.00 40.24 H new ATOM 0 HB3 ARG A 29 -13.672 -4.436 3.297 1.00 40.24 H new ATOM 0 HG2 ARG A 29 -12.365 -2.188 2.104 1.00 55.13 H new ATOM 0 HG3 ARG A 29 -12.643 -3.361 0.832 1.00 55.13 H new ATOM 0 HD2 ARG A 29 -14.921 -2.945 2.711 1.00 24.41 H new ATOM 0 HD3 ARG A 29 -14.516 -1.570 1.703 1.00 24.41 H new ATOM 0 HE ARG A 29 -14.667 -4.024 0.151 1.00 34.51 H new ATOM 0 HH11 ARG A 29 -16.557 -1.462 1.675 1.00 13.52 H new ATOM 0 HH12 ARG A 29 -17.924 -1.657 0.573 1.00 13.52 H new ATOM 0 HH21 ARG A 29 -16.429 -4.268 -1.261 1.00 25.31 H new ATOM 0 HH22 ARG A 29 -17.853 -3.237 -1.081 1.00 25.31 H new ATOM 453 N LYS A 30 -12.918 -2.608 5.579 1.00 4.44 N ATOM 454 CA LYS A 30 -13.349 -1.424 6.313 1.00 11.23 C ATOM 455 C LYS A 30 -12.209 -0.861 7.156 1.00 14.14 C ATOM 456 O LYS A 30 -12.083 0.353 7.317 1.00 43.22 O ATOM 457 CB LYS A 30 -14.543 -1.761 7.210 1.00 65.12 C ATOM 458 CG LYS A 30 -15.041 -0.582 8.028 1.00 74.35 C ATOM 459 CD LYS A 30 -16.258 -0.955 8.858 1.00 53.32 C ATOM 460 CE LYS A 30 -17.542 -0.835 8.050 1.00 23.51 C ATOM 461 NZ LYS A 30 -18.462 0.188 8.619 1.00 44.34 N ATOM 0 H LYS A 30 -13.328 -3.481 5.909 1.00 4.44 H new ATOM 0 HA LYS A 30 -13.649 -0.667 5.588 1.00 11.23 H new ATOM 0 HB2 LYS A 30 -15.359 -2.133 6.590 1.00 65.12 H new ATOM 0 HB3 LYS A 30 -14.262 -2.569 7.886 1.00 65.12 H new ATOM 0 HG2 LYS A 30 -14.245 -0.231 8.685 1.00 74.35 H new ATOM 0 HG3 LYS A 30 -15.292 0.244 7.362 1.00 74.35 H new ATOM 0 HD2 LYS A 30 -16.151 -1.976 9.224 1.00 53.32 H new ATOM 0 HD3 LYS A 30 -16.315 -0.307 9.733 1.00 53.32 H new ATOM 0 HE2 LYS A 30 -17.300 -0.573 7.020 1.00 23.51 H new ATOM 0 HE3 LYS A 30 -18.046 -1.801 8.023 1.00 23.51 H new ATOM 0 HZ1 LYS A 30 -19.325 0.239 8.040 1.00 44.34 H new ATOM 0 HZ2 LYS A 30 -18.714 -0.075 9.593 1.00 44.34 H new ATOM 0 HZ3 LYS A 30 -17.991 1.115 8.622 1.00 44.34 H new ATOM 475 N LYS A 31 -11.381 -1.751 7.693 1.00 41.44 N ATOM 476 CA LYS A 31 -10.249 -1.343 8.517 1.00 34.52 C ATOM 477 C LYS A 31 -9.269 -0.493 7.715 1.00 74.52 C ATOM 478 O LYS A 31 -8.897 0.603 8.134 1.00 25.43 O ATOM 479 CB LYS A 31 -9.533 -2.573 9.079 1.00 22.42 C ATOM 480 CG LYS A 31 -8.199 -2.255 9.733 1.00 53.43 C ATOM 481 CD LYS A 31 -7.514 -3.511 10.243 1.00 63.02 C ATOM 482 CE LYS A 31 -6.050 -3.553 9.833 1.00 5.52 C ATOM 483 NZ LYS A 31 -5.258 -2.480 10.496 1.00 44.52 N ATOM 0 H LYS A 31 -11.473 -2.760 7.572 1.00 41.44 H new ATOM 0 HA LYS A 31 -10.630 -0.742 9.343 1.00 34.52 H new ATOM 0 HB2 LYS A 31 -10.180 -3.057 9.810 1.00 22.42 H new ATOM 0 HB3 LYS A 31 -9.371 -3.289 8.273 1.00 22.42 H new ATOM 0 HG2 LYS A 31 -7.551 -1.753 9.015 1.00 53.43 H new ATOM 0 HG3 LYS A 31 -8.354 -1.563 10.561 1.00 53.43 H new ATOM 0 HD2 LYS A 31 -7.590 -3.552 11.330 1.00 63.02 H new ATOM 0 HD3 LYS A 31 -8.027 -4.390 9.854 1.00 63.02 H new ATOM 0 HE2 LYS A 31 -5.629 -4.526 10.088 1.00 5.52 H new ATOM 0 HE3 LYS A 31 -5.973 -3.446 8.751 1.00 5.52 H new ATOM 0 HZ1 LYS A 31 -4.350 -2.363 10.003 1.00 44.52 H new ATOM 0 HZ2 LYS A 31 -5.788 -1.586 10.462 1.00 44.52 H new ATOM 0 HZ3 LYS A 31 -5.082 -2.740 11.487 1.00 44.52 H new ATOM 497 N ILE A 32 -8.858 -1.005 6.560 1.00 64.02 N ATOM 498 CA ILE A 32 -7.923 -0.291 5.698 1.00 13.05 C ATOM 499 C ILE A 32 -8.507 1.041 5.239 1.00 71.42 C ATOM 500 O ILE A 32 -7.814 2.058 5.213 1.00 34.01 O ATOM 501 CB ILE A 32 -7.546 -1.127 4.462 1.00 62.53 C ATOM 502 CG1 ILE A 32 -6.514 -2.194 4.836 1.00 40.44 C ATOM 503 CG2 ILE A 32 -7.010 -0.228 3.358 1.00 71.45 C ATOM 504 CD1 ILE A 32 -6.239 -3.184 3.726 1.00 51.02 C ATOM 0 H ILE A 32 -9.157 -1.911 6.199 1.00 64.02 H new ATOM 0 HA ILE A 32 -7.026 -0.107 6.289 1.00 13.05 H new ATOM 0 HB ILE A 32 -8.441 -1.628 4.093 1.00 62.53 H new ATOM 0 HG12 ILE A 32 -5.581 -1.704 5.114 1.00 40.44 H new ATOM 0 HG13 ILE A 32 -6.864 -2.734 5.715 1.00 40.44 H new ATOM 0 HG21 ILE A 32 -6.748 -0.834 2.491 1.00 71.45 H new ATOM 0 HG22 ILE A 32 -7.773 0.497 3.077 1.00 71.45 H new ATOM 0 HG23 ILE A 32 -6.124 0.298 3.715 1.00 71.45 H new ATOM 0 HD11 ILE A 32 -5.499 -3.910 4.061 1.00 51.02 H new ATOM 0 HD12 ILE A 32 -7.162 -3.701 3.463 1.00 51.02 H new ATOM 0 HD13 ILE A 32 -5.858 -2.655 2.853 1.00 51.02 H new ATOM 516 N ARG A 33 -9.786 1.027 4.878 1.00 32.40 N ATOM 517 CA ARG A 33 -10.464 2.233 4.420 1.00 50.32 C ATOM 518 C ARG A 33 -10.718 3.189 5.582 1.00 31.21 C ATOM 519 O ARG A 33 -10.911 4.388 5.382 1.00 5.20 O ATOM 520 CB ARG A 33 -11.788 1.874 3.742 1.00 3.22 C ATOM 521 CG ARG A 33 -12.645 3.082 3.401 1.00 3.32 C ATOM 522 CD ARG A 33 -13.992 2.667 2.831 1.00 22.30 C ATOM 523 NE ARG A 33 -14.893 2.165 3.865 1.00 2.33 N ATOM 524 CZ ARG A 33 -16.152 1.810 3.634 1.00 2.41 C ATOM 525 NH1 ARG A 33 -16.656 1.901 2.411 1.00 2.12 N ATOM 526 NH2 ARG A 33 -16.909 1.363 4.628 1.00 54.35 N ATOM 0 H ARG A 33 -10.373 0.193 4.894 1.00 32.40 H new ATOM 0 HA ARG A 33 -9.817 2.731 3.697 1.00 50.32 H new ATOM 0 HB2 ARG A 33 -11.579 1.318 2.828 1.00 3.22 H new ATOM 0 HB3 ARG A 33 -12.354 1.211 4.397 1.00 3.22 H new ATOM 0 HG2 ARG A 33 -12.798 3.685 4.296 1.00 3.32 H new ATOM 0 HG3 ARG A 33 -12.121 3.709 2.680 1.00 3.32 H new ATOM 0 HD2 ARG A 33 -14.452 3.520 2.332 1.00 22.30 H new ATOM 0 HD3 ARG A 33 -13.844 1.897 2.074 1.00 22.30 H new ATOM 0 HE ARG A 33 -14.536 2.082 4.817 1.00 2.33 H new ATOM 0 HH11 ARG A 33 -16.077 2.244 1.645 1.00 2.12 H new ATOM 0 HH12 ARG A 33 -17.623 1.628 2.236 1.00 2.12 H new ATOM 0 HH21 ARG A 33 -16.524 1.292 5.570 1.00 54.35 H new ATOM 0 HH22 ARG A 33 -17.876 1.091 4.450 1.00 54.35 H new ATOM 540 N ASP A 34 -10.718 2.649 6.796 1.00 64.22 N ATOM 541 CA ASP A 34 -10.947 3.453 7.990 1.00 34.05 C ATOM 542 C ASP A 34 -9.626 3.891 8.613 1.00 25.03 C ATOM 543 O ASP A 34 -9.598 4.437 9.717 1.00 43.41 O ATOM 544 CB ASP A 34 -11.770 2.665 9.011 1.00 10.01 C ATOM 545 CG ASP A 34 -12.223 3.523 10.176 1.00 55.12 C ATOM 546 OD1 ASP A 34 -12.352 4.752 9.993 1.00 53.00 O ATOM 547 OD2 ASP A 34 -12.450 2.966 11.270 1.00 74.22 O ATOM 0 H ASP A 34 -10.562 1.658 6.979 1.00 64.22 H new ATOM 0 HA ASP A 34 -11.502 4.344 7.696 1.00 34.05 H new ATOM 0 HB2 ASP A 34 -12.643 2.237 8.517 1.00 10.01 H new ATOM 0 HB3 ASP A 34 -11.176 1.832 9.387 1.00 10.01 H new ATOM 552 N LEU A 35 -8.532 3.647 7.900 1.00 61.11 N ATOM 553 CA LEU A 35 -7.205 4.015 8.383 1.00 54.23 C ATOM 554 C LEU A 35 -7.039 5.531 8.415 1.00 50.03 C ATOM 555 O LEU A 35 -7.766 6.274 7.755 1.00 14.15 O ATOM 556 CB LEU A 35 -6.127 3.391 7.496 1.00 62.12 C ATOM 557 CG LEU A 35 -5.747 1.945 7.818 1.00 42.21 C ATOM 558 CD1 LEU A 35 -4.806 1.392 6.759 1.00 71.13 C ATOM 559 CD2 LEU A 35 -5.111 1.856 9.198 1.00 72.54 C ATOM 0 H LEU A 35 -8.537 3.196 6.985 1.00 61.11 H new ATOM 0 HA LEU A 35 -7.096 3.634 9.399 1.00 54.23 H new ATOM 0 HB2 LEU A 35 -6.466 3.435 6.461 1.00 62.12 H new ATOM 0 HB3 LEU A 35 -5.229 4.005 7.563 1.00 62.12 H new ATOM 0 HG LEU A 35 -6.655 1.342 7.818 1.00 42.21 H new ATOM 0 HD11 LEU A 35 -4.546 0.362 7.005 1.00 71.13 H new ATOM 0 HD12 LEU A 35 -5.296 1.420 5.786 1.00 71.13 H new ATOM 0 HD13 LEU A 35 -3.900 1.997 6.726 1.00 71.13 H new ATOM 0 HD21 LEU A 35 -4.847 0.820 9.411 1.00 72.54 H new ATOM 0 HD22 LEU A 35 -4.212 2.472 9.225 1.00 72.54 H new ATOM 0 HD23 LEU A 35 -5.818 2.212 9.948 1.00 72.54 H new ATOM 571 N PRO A 36 -6.057 6.002 9.198 1.00 53.43 N ATOM 572 CA PRO A 36 -5.770 7.434 9.332 1.00 33.33 C ATOM 573 C PRO A 36 -5.174 8.027 8.060 1.00 14.55 C ATOM 574 O PRO A 36 -4.102 7.616 7.616 1.00 51.42 O ATOM 575 CB PRO A 36 -4.753 7.486 10.474 1.00 24.55 C ATOM 576 CG PRO A 36 -4.096 6.148 10.458 1.00 12.30 C ATOM 577 CD PRO A 36 -5.152 5.174 10.012 1.00 45.54 C ATOM 0 HA PRO A 36 -6.673 8.015 9.520 1.00 33.33 H new ATOM 0 HB2 PRO A 36 -4.027 8.285 10.322 1.00 24.55 H new ATOM 0 HB3 PRO A 36 -5.241 7.676 11.430 1.00 24.55 H new ATOM 0 HG2 PRO A 36 -3.245 6.139 9.777 1.00 12.30 H new ATOM 0 HG3 PRO A 36 -3.717 5.887 11.446 1.00 12.30 H new ATOM 0 HD2 PRO A 36 -4.725 4.356 9.432 1.00 45.54 H new ATOM 0 HD3 PRO A 36 -5.670 4.727 10.860 1.00 45.54 H new ATOM 585 N ILE A 37 -5.875 8.996 7.480 1.00 33.32 N ATOM 586 CA ILE A 37 -5.414 9.646 6.260 1.00 2.44 C ATOM 587 C ILE A 37 -4.175 10.495 6.525 1.00 0.31 C ATOM 588 O ILE A 37 -3.294 10.608 5.673 1.00 4.43 O ATOM 589 CB ILE A 37 -6.511 10.537 5.647 1.00 21.35 C ATOM 590 CG1 ILE A 37 -7.077 11.486 6.705 1.00 54.41 C ATOM 591 CG2 ILE A 37 -7.617 9.679 5.051 1.00 41.11 C ATOM 592 CD1 ILE A 37 -8.075 12.480 6.152 1.00 32.03 C ATOM 0 H ILE A 37 -6.764 9.348 7.836 1.00 33.32 H new ATOM 0 HA ILE A 37 -5.165 8.853 5.555 1.00 2.44 H new ATOM 0 HB ILE A 37 -6.071 11.134 4.849 1.00 21.35 H new ATOM 0 HG12 ILE A 37 -7.557 10.899 7.489 1.00 54.41 H new ATOM 0 HG13 ILE A 37 -6.255 12.029 7.171 1.00 54.41 H new ATOM 0 HG21 ILE A 37 -8.385 10.322 4.622 1.00 41.11 H new ATOM 0 HG22 ILE A 37 -7.202 9.040 4.272 1.00 41.11 H new ATOM 0 HG23 ILE A 37 -8.058 9.059 5.832 1.00 41.11 H new ATOM 0 HD11 ILE A 37 -8.435 13.121 6.957 1.00 32.03 H new ATOM 0 HD12 ILE A 37 -7.594 13.092 5.389 1.00 32.03 H new ATOM 0 HD13 ILE A 37 -8.916 11.944 5.711 1.00 32.03 H new ATOM 604 N SER A 38 -4.114 11.089 7.713 1.00 50.23 N ATOM 605 CA SER A 38 -2.984 11.930 8.090 1.00 62.11 C ATOM 606 C SER A 38 -1.700 11.110 8.170 1.00 63.11 C ATOM 607 O SER A 38 -0.597 11.649 8.064 1.00 72.00 O ATOM 608 CB SER A 38 -3.253 12.610 9.434 1.00 63.23 C ATOM 609 OG SER A 38 -3.746 11.682 10.385 1.00 43.21 O ATOM 0 H SER A 38 -4.834 11.003 8.431 1.00 50.23 H new ATOM 0 HA SER A 38 -2.860 12.694 7.323 1.00 62.11 H new ATOM 0 HB2 SER A 38 -2.334 13.064 9.806 1.00 63.23 H new ATOM 0 HB3 SER A 38 -3.975 13.416 9.300 1.00 63.23 H new ATOM 0 HG SER A 38 -3.908 12.141 11.236 1.00 43.21 H new ATOM 615 N LEU A 39 -1.850 9.804 8.358 1.00 74.54 N ATOM 616 CA LEU A 39 -0.704 8.907 8.452 1.00 24.21 C ATOM 617 C LEU A 39 -0.067 8.691 7.083 1.00 5.41 C ATOM 618 O LEU A 39 1.133 8.435 6.978 1.00 2.53 O ATOM 619 CB LEU A 39 -1.130 7.563 9.046 1.00 5.12 C ATOM 620 CG LEU A 39 -0.189 6.963 10.092 1.00 11.42 C ATOM 621 CD1 LEU A 39 -0.982 6.254 11.179 1.00 51.11 C ATOM 622 CD2 LEU A 39 0.796 6.006 9.437 1.00 10.13 C ATOM 0 H LEU A 39 -2.755 9.342 8.448 1.00 74.54 H new ATOM 0 HA LEU A 39 0.034 9.369 9.107 1.00 24.21 H new ATOM 0 HB2 LEU A 39 -2.114 7.684 9.499 1.00 5.12 H new ATOM 0 HB3 LEU A 39 -1.240 6.847 8.232 1.00 5.12 H new ATOM 0 HG LEU A 39 0.375 7.774 10.553 1.00 11.42 H new ATOM 0 HD11 LEU A 39 -0.296 5.833 11.914 1.00 51.11 H new ATOM 0 HD12 LEU A 39 -1.646 6.966 11.668 1.00 51.11 H new ATOM 0 HD13 LEU A 39 -1.573 5.453 10.735 1.00 51.11 H new ATOM 0 HD21 LEU A 39 1.458 5.589 10.196 1.00 10.13 H new ATOM 0 HD22 LEU A 39 0.249 5.199 8.949 1.00 10.13 H new ATOM 0 HD23 LEU A 39 1.388 6.544 8.696 1.00 10.13 H new ATOM 634 N PHE A 40 -0.877 8.799 6.035 1.00 31.35 N ATOM 635 CA PHE A 40 -0.393 8.617 4.672 1.00 24.11 C ATOM 636 C PHE A 40 -0.730 9.829 3.809 1.00 72.02 C ATOM 637 O PHE A 40 -1.900 10.113 3.548 1.00 24.34 O ATOM 638 CB PHE A 40 -0.999 7.354 4.057 1.00 23.21 C ATOM 639 CG PHE A 40 -1.094 6.205 5.020 1.00 74.23 C ATOM 640 CD1 PHE A 40 -2.195 6.070 5.851 1.00 42.30 C ATOM 641 CD2 PHE A 40 -0.085 5.259 5.093 1.00 5.21 C ATOM 642 CE1 PHE A 40 -2.285 5.014 6.738 1.00 1.42 C ATOM 643 CE2 PHE A 40 -0.169 4.201 5.978 1.00 33.21 C ATOM 644 CZ PHE A 40 -1.272 4.078 6.801 1.00 24.10 C ATOM 0 H PHE A 40 -1.872 9.012 6.104 1.00 31.35 H new ATOM 0 HA PHE A 40 0.691 8.510 4.709 1.00 24.11 H new ATOM 0 HB2 PHE A 40 -1.995 7.585 3.680 1.00 23.21 H new ATOM 0 HB3 PHE A 40 -0.396 7.051 3.201 1.00 23.21 H new ATOM 0 HD1 PHE A 40 -2.991 6.798 5.805 1.00 42.30 H new ATOM 0 HD2 PHE A 40 0.778 5.349 4.450 1.00 5.21 H new ATOM 0 HE1 PHE A 40 -3.147 4.921 7.382 1.00 1.42 H new ATOM 0 HE2 PHE A 40 0.626 3.472 6.026 1.00 33.21 H new ATOM 0 HZ PHE A 40 -1.342 3.251 7.492 1.00 24.10 H new ATOM 654 N ASP A 41 0.302 10.540 3.369 1.00 51.12 N ATOM 655 CA ASP A 41 0.116 11.722 2.534 1.00 22.44 C ATOM 656 C ASP A 41 -0.769 11.405 1.333 1.00 33.13 C ATOM 657 O ASP A 41 -1.461 12.280 0.812 1.00 74.52 O ATOM 658 CB ASP A 41 1.469 12.255 2.060 1.00 70.10 C ATOM 659 CG ASP A 41 1.400 13.706 1.627 1.00 75.04 C ATOM 660 OD1 ASP A 41 1.433 14.591 2.507 1.00 21.14 O ATOM 661 OD2 ASP A 41 1.313 13.957 0.407 1.00 75.25 O ATOM 0 H ASP A 41 1.276 10.319 3.576 1.00 51.12 H new ATOM 0 HA ASP A 41 -0.377 12.487 3.134 1.00 22.44 H new ATOM 0 HB2 ASP A 41 2.198 12.153 2.864 1.00 70.10 H new ATOM 0 HB3 ASP A 41 1.824 11.647 1.228 1.00 70.10 H new ATOM 666 N TYR A 42 -0.741 10.150 0.899 1.00 74.10 N ATOM 667 CA TYR A 42 -1.539 9.718 -0.243 1.00 2.50 C ATOM 668 C TYR A 42 -2.174 8.356 0.020 1.00 41.45 C ATOM 669 O TYR A 42 -1.483 7.385 0.329 1.00 11.41 O ATOM 670 CB TYR A 42 -0.672 9.656 -1.502 1.00 34.50 C ATOM 671 CG TYR A 42 -1.426 9.208 -2.734 1.00 52.40 C ATOM 672 CD1 TYR A 42 -2.745 9.594 -2.943 1.00 61.53 C ATOM 673 CD2 TYR A 42 -0.821 8.400 -3.688 1.00 43.42 C ATOM 674 CE1 TYR A 42 -3.438 9.187 -4.067 1.00 40.01 C ATOM 675 CE2 TYR A 42 -1.506 7.990 -4.816 1.00 5.34 C ATOM 676 CZ TYR A 42 -2.814 8.386 -5.000 1.00 61.05 C ATOM 677 OH TYR A 42 -3.500 7.978 -6.122 1.00 1.45 O ATOM 0 H TYR A 42 -0.175 9.414 1.320 1.00 74.10 H new ATOM 0 HA TYR A 42 -2.336 10.446 -0.394 1.00 2.50 H new ATOM 0 HB2 TYR A 42 -0.243 10.641 -1.687 1.00 34.50 H new ATOM 0 HB3 TYR A 42 0.160 8.974 -1.327 1.00 34.50 H new ATOM 0 HD1 TYR A 42 -3.236 10.222 -2.215 1.00 61.53 H new ATOM 0 HD2 TYR A 42 0.203 8.087 -3.546 1.00 43.42 H new ATOM 0 HE1 TYR A 42 -4.463 9.495 -4.214 1.00 40.01 H new ATOM 0 HE2 TYR A 42 -1.020 7.363 -5.549 1.00 5.34 H new ATOM 0 HH TYR A 42 -4.309 8.521 -6.226 1.00 1.45 H new ATOM 687 N PHE A 43 -3.495 8.293 -0.107 1.00 72.22 N ATOM 688 CA PHE A 43 -4.226 7.051 0.116 1.00 22.33 C ATOM 689 C PHE A 43 -5.235 6.804 -1.002 1.00 4.43 C ATOM 690 O PHE A 43 -6.188 7.566 -1.171 1.00 23.43 O ATOM 691 CB PHE A 43 -4.944 7.092 1.467 1.00 50.44 C ATOM 692 CG PHE A 43 -4.964 5.769 2.176 1.00 20.22 C ATOM 693 CD1 PHE A 43 -4.821 4.586 1.469 1.00 54.25 C ATOM 694 CD2 PHE A 43 -5.126 5.707 3.551 1.00 41.21 C ATOM 695 CE1 PHE A 43 -4.839 3.366 2.118 1.00 1.45 C ATOM 696 CE2 PHE A 43 -5.144 4.490 4.206 1.00 3.53 C ATOM 697 CZ PHE A 43 -5.001 3.319 3.489 1.00 34.41 C ATOM 0 H PHE A 43 -4.081 9.087 -0.363 1.00 72.22 H new ATOM 0 HA PHE A 43 -3.507 6.232 0.119 1.00 22.33 H new ATOM 0 HB2 PHE A 43 -4.458 7.830 2.105 1.00 50.44 H new ATOM 0 HB3 PHE A 43 -5.969 7.429 1.314 1.00 50.44 H new ATOM 0 HD1 PHE A 43 -4.694 4.618 0.397 1.00 54.25 H new ATOM 0 HD2 PHE A 43 -5.239 6.620 4.117 1.00 41.21 H new ATOM 0 HE1 PHE A 43 -4.727 2.451 1.555 1.00 1.45 H new ATOM 0 HE2 PHE A 43 -5.270 4.455 5.278 1.00 3.53 H new ATOM 0 HZ PHE A 43 -5.016 2.367 3.999 1.00 34.41 H new ATOM 707 N ILE A 44 -5.017 5.737 -1.762 1.00 71.31 N ATOM 708 CA ILE A 44 -5.907 5.390 -2.863 1.00 62.42 C ATOM 709 C ILE A 44 -6.175 3.889 -2.901 1.00 13.00 C ATOM 710 O ILE A 44 -5.259 3.088 -3.086 1.00 71.11 O ATOM 711 CB ILE A 44 -5.323 5.830 -4.219 1.00 20.52 C ATOM 712 CG1 ILE A 44 -6.105 5.190 -5.368 1.00 32.55 C ATOM 713 CG2 ILE A 44 -3.849 5.462 -4.305 1.00 52.20 C ATOM 714 CD1 ILE A 44 -6.316 6.116 -6.545 1.00 35.24 C ATOM 0 H ILE A 44 -4.232 5.098 -1.636 1.00 71.31 H new ATOM 0 HA ILE A 44 -6.844 5.920 -2.691 1.00 62.42 H new ATOM 0 HB ILE A 44 -5.413 6.913 -4.302 1.00 20.52 H new ATOM 0 HG12 ILE A 44 -5.574 4.300 -5.707 1.00 32.55 H new ATOM 0 HG13 ILE A 44 -7.075 4.860 -4.997 1.00 32.55 H new ATOM 0 HG21 ILE A 44 -3.450 5.779 -5.269 1.00 52.20 H new ATOM 0 HG22 ILE A 44 -3.302 5.960 -3.504 1.00 52.20 H new ATOM 0 HG23 ILE A 44 -3.737 4.383 -4.204 1.00 52.20 H new ATOM 0 HD11 ILE A 44 -6.877 5.596 -7.321 1.00 35.24 H new ATOM 0 HD12 ILE A 44 -6.874 6.995 -6.221 1.00 35.24 H new ATOM 0 HD13 ILE A 44 -5.349 6.426 -6.942 1.00 35.24 H new ATOM 726 N VAL A 45 -7.439 3.515 -2.726 1.00 22.21 N ATOM 727 CA VAL A 45 -7.829 2.110 -2.743 1.00 14.22 C ATOM 728 C VAL A 45 -8.874 1.843 -3.821 1.00 1.33 C ATOM 729 O VAL A 45 -9.742 2.676 -4.078 1.00 73.33 O ATOM 730 CB VAL A 45 -8.391 1.667 -1.379 1.00 2.34 C ATOM 731 CG1 VAL A 45 -8.352 0.152 -1.251 1.00 45.13 C ATOM 732 CG2 VAL A 45 -7.618 2.326 -0.246 1.00 32.12 C ATOM 0 H VAL A 45 -8.210 4.165 -2.571 1.00 22.21 H new ATOM 0 HA VAL A 45 -6.930 1.534 -2.962 1.00 14.22 H new ATOM 0 HB VAL A 45 -9.431 1.986 -1.313 1.00 2.34 H new ATOM 0 HG11 VAL A 45 -8.753 -0.142 -0.281 1.00 45.13 H new ATOM 0 HG12 VAL A 45 -8.953 -0.296 -2.043 1.00 45.13 H new ATOM 0 HG13 VAL A 45 -7.322 -0.194 -1.338 1.00 45.13 H new ATOM 0 HG21 VAL A 45 -8.028 2.002 0.711 1.00 32.12 H new ATOM 0 HG22 VAL A 45 -6.568 2.039 -0.307 1.00 32.12 H new ATOM 0 HG23 VAL A 45 -7.703 3.409 -0.329 1.00 32.12 H new ATOM 742 N GLY A 46 -8.783 0.675 -4.449 1.00 34.44 N ATOM 743 CA GLY A 46 -9.727 0.318 -5.492 1.00 31.12 C ATOM 744 C GLY A 46 -10.180 -1.126 -5.395 1.00 43.53 C ATOM 745 O GLY A 46 -9.408 -1.999 -5.001 1.00 61.14 O ATOM 0 H GLY A 46 -8.073 -0.030 -4.254 1.00 34.44 H new ATOM 0 HA2 GLY A 46 -10.596 0.973 -5.431 1.00 31.12 H new ATOM 0 HA3 GLY A 46 -9.268 0.487 -6.466 1.00 31.12 H new ATOM 749 N GLU A 47 -11.435 -1.376 -5.754 1.00 50.24 N ATOM 750 CA GLU A 47 -11.989 -2.724 -5.704 1.00 11.45 C ATOM 751 C GLU A 47 -12.136 -3.305 -7.107 1.00 12.22 C ATOM 752 O GLU A 47 -12.627 -2.638 -8.017 1.00 13.01 O ATOM 753 CB GLU A 47 -13.347 -2.714 -4.999 1.00 31.45 C ATOM 754 CG GLU A 47 -14.022 -4.075 -4.960 1.00 21.23 C ATOM 755 CD GLU A 47 -14.540 -4.431 -3.579 1.00 44.54 C ATOM 756 OE1 GLU A 47 -13.767 -4.310 -2.606 1.00 40.50 O ATOM 757 OE2 GLU A 47 -15.718 -4.830 -3.473 1.00 54.52 O ATOM 0 H GLU A 47 -12.087 -0.664 -6.082 1.00 50.24 H new ATOM 0 HA GLU A 47 -11.299 -3.352 -5.141 1.00 11.45 H new ATOM 0 HB2 GLU A 47 -13.215 -2.354 -3.979 1.00 31.45 H new ATOM 0 HB3 GLU A 47 -14.004 -2.006 -5.504 1.00 31.45 H new ATOM 0 HG2 GLU A 47 -14.850 -4.086 -5.668 1.00 21.23 H new ATOM 0 HG3 GLU A 47 -13.314 -4.837 -5.286 1.00 21.23 H new ATOM 875 N PRO A 56 -14.311 -11.132 -5.496 1.00 40.24 N ATOM 876 CA PRO A 56 -13.738 -9.782 -5.482 1.00 73.41 C ATOM 877 C PRO A 56 -12.286 -9.774 -5.017 1.00 51.10 C ATOM 878 O PRO A 56 -11.833 -10.702 -4.346 1.00 13.55 O ATOM 879 CB PRO A 56 -14.624 -9.032 -4.484 1.00 43.11 C ATOM 880 CG PRO A 56 -15.167 -10.091 -3.589 1.00 33.33 C ATOM 881 CD PRO A 56 -15.326 -11.317 -4.446 1.00 1.43 C ATOM 0 HA PRO A 56 -13.720 -9.336 -6.476 1.00 73.41 H new ATOM 0 HB2 PRO A 56 -14.051 -8.295 -3.922 1.00 43.11 H new ATOM 0 HB3 PRO A 56 -15.425 -8.494 -4.992 1.00 43.11 H new ATOM 0 HG2 PRO A 56 -14.491 -10.282 -2.756 1.00 33.33 H new ATOM 0 HG3 PRO A 56 -16.122 -9.788 -3.161 1.00 33.33 H new ATOM 0 HD2 PRO A 56 -15.154 -12.230 -3.877 1.00 1.43 H new ATOM 0 HD3 PRO A 56 -16.330 -11.387 -4.865 1.00 1.43 H new ATOM 889 N HIS A 57 -11.560 -8.720 -5.378 1.00 31.51 N ATOM 890 CA HIS A 57 -10.158 -8.591 -4.996 1.00 73.11 C ATOM 891 C HIS A 57 -9.830 -7.151 -4.612 1.00 73.34 C ATOM 892 O HIS A 57 -10.283 -6.207 -5.260 1.00 41.44 O ATOM 893 CB HIS A 57 -9.252 -9.045 -6.141 1.00 31.22 C ATOM 894 CG HIS A 57 -7.803 -8.740 -5.915 1.00 33.21 C ATOM 895 ND1 HIS A 57 -7.134 -7.732 -6.576 1.00 54.21 N ATOM 896 CD2 HIS A 57 -6.895 -9.317 -5.094 1.00 2.34 C ATOM 897 CE1 HIS A 57 -5.877 -7.702 -6.173 1.00 21.34 C ATOM 898 NE2 HIS A 57 -5.706 -8.654 -5.273 1.00 4.35 N ATOM 0 H HIS A 57 -11.919 -7.944 -5.934 1.00 31.51 H new ATOM 0 HA HIS A 57 -9.983 -9.228 -4.129 1.00 73.11 H new ATOM 0 HB2 HIS A 57 -9.371 -10.119 -6.283 1.00 31.22 H new ATOM 0 HB3 HIS A 57 -9.577 -8.563 -7.063 1.00 31.22 H new ATOM 0 HD1 HIS A 57 -7.546 -7.107 -7.269 1.00 54.21 H new ATOM 0 HD2 HIS A 57 -7.072 -10.145 -4.423 1.00 2.34 H new ATOM 0 HE1 HIS A 57 -5.118 -7.016 -6.520 1.00 21.34 H new ATOM 906 N LEU A 58 -9.042 -6.991 -3.555 1.00 41.14 N ATOM 907 CA LEU A 58 -8.654 -5.666 -3.084 1.00 44.15 C ATOM 908 C LEU A 58 -7.264 -5.294 -3.590 1.00 44.14 C ATOM 909 O LEU A 58 -6.335 -6.099 -3.528 1.00 43.31 O ATOM 910 CB LEU A 58 -8.682 -5.618 -1.556 1.00 12.32 C ATOM 911 CG LEU A 58 -9.485 -4.474 -0.935 1.00 54.03 C ATOM 912 CD1 LEU A 58 -9.307 -4.454 0.575 1.00 65.12 C ATOM 913 CD2 LEU A 58 -9.071 -3.141 -1.541 1.00 25.01 C ATOM 0 H LEU A 58 -8.659 -7.762 -3.008 1.00 41.14 H new ATOM 0 HA LEU A 58 -9.369 -4.944 -3.477 1.00 44.15 H new ATOM 0 HB2 LEU A 58 -9.088 -6.561 -1.190 1.00 12.32 H new ATOM 0 HB3 LEU A 58 -7.655 -5.552 -1.196 1.00 12.32 H new ATOM 0 HG LEU A 58 -10.540 -4.637 -1.153 1.00 54.03 H new ATOM 0 HD11 LEU A 58 -9.886 -3.633 0.999 1.00 65.12 H new ATOM 0 HD12 LEU A 58 -9.655 -5.398 0.995 1.00 65.12 H new ATOM 0 HD13 LEU A 58 -8.253 -4.316 0.815 1.00 65.12 H new ATOM 0 HD21 LEU A 58 -9.653 -2.339 -1.087 1.00 25.01 H new ATOM 0 HD22 LEU A 58 -8.011 -2.970 -1.355 1.00 25.01 H new ATOM 0 HD23 LEU A 58 -9.253 -3.158 -2.616 1.00 25.01 H new ATOM 925 N GLN A 59 -7.129 -4.069 -4.089 1.00 31.21 N ATOM 926 CA GLN A 59 -5.852 -3.591 -4.604 1.00 3.41 C ATOM 927 C GLN A 59 -5.764 -2.071 -4.515 1.00 1.42 C ATOM 928 O GLN A 59 -6.477 -1.355 -5.217 1.00 60.42 O ATOM 929 CB GLN A 59 -5.661 -4.040 -6.054 1.00 35.24 C ATOM 930 CG GLN A 59 -4.538 -3.312 -6.774 1.00 21.52 C ATOM 931 CD GLN A 59 -3.195 -3.496 -6.096 1.00 24.24 C ATOM 932 OE1 GLN A 59 -3.003 -3.087 -4.950 1.00 53.32 O ATOM 933 NE2 GLN A 59 -2.255 -4.115 -6.801 1.00 2.12 N ATOM 0 H GLN A 59 -7.888 -3.390 -4.147 1.00 31.21 H new ATOM 0 HA GLN A 59 -5.059 -4.020 -3.991 1.00 3.41 H new ATOM 0 HB2 GLN A 59 -5.457 -5.111 -6.070 1.00 35.24 H new ATOM 0 HB3 GLN A 59 -6.592 -3.884 -6.599 1.00 35.24 H new ATOM 0 HG2 GLN A 59 -4.475 -3.673 -7.800 1.00 21.52 H new ATOM 0 HG3 GLN A 59 -4.773 -2.249 -6.824 1.00 21.52 H new ATOM 0 HE21 GLN A 59 -2.457 -4.438 -7.747 1.00 2.12 H new ATOM 0 HE22 GLN A 59 -1.331 -4.268 -6.396 1.00 2.12 H new ATOM 942 N GLY A 60 -4.884 -1.583 -3.645 1.00 62.33 N ATOM 943 CA GLY A 60 -4.719 -0.151 -3.480 1.00 14.10 C ATOM 944 C GLY A 60 -3.298 0.232 -3.119 1.00 22.30 C ATOM 945 O GLY A 60 -2.466 -0.633 -2.840 1.00 53.54 O ATOM 0 H GLY A 60 -4.283 -2.155 -3.052 1.00 62.33 H new ATOM 0 HA2 GLY A 60 -5.004 0.353 -4.403 1.00 14.10 H new ATOM 0 HA3 GLY A 60 -5.396 0.202 -2.702 1.00 14.10 H new ATOM 949 N PHE A 61 -3.017 1.530 -3.125 1.00 44.51 N ATOM 950 CA PHE A 61 -1.685 2.026 -2.798 1.00 65.23 C ATOM 951 C PHE A 61 -1.756 3.121 -1.738 1.00 74.21 C ATOM 952 O PHE A 61 -2.653 3.963 -1.760 1.00 53.02 O ATOM 953 CB PHE A 61 -0.994 2.561 -4.054 1.00 40.05 C ATOM 954 CG PHE A 61 0.238 3.370 -3.763 1.00 32.50 C ATOM 955 CD1 PHE A 61 1.271 2.835 -3.010 1.00 41.22 C ATOM 956 CD2 PHE A 61 0.363 4.664 -4.242 1.00 73.52 C ATOM 957 CE1 PHE A 61 2.405 3.577 -2.740 1.00 2.40 C ATOM 958 CE2 PHE A 61 1.495 5.410 -3.975 1.00 52.55 C ATOM 959 CZ PHE A 61 2.518 4.866 -3.224 1.00 52.12 C ATOM 0 H PHE A 61 -3.694 2.258 -3.353 1.00 44.51 H new ATOM 0 HA PHE A 61 -1.104 1.195 -2.398 1.00 65.23 H new ATOM 0 HB2 PHE A 61 -0.725 1.722 -4.696 1.00 40.05 H new ATOM 0 HB3 PHE A 61 -1.699 3.176 -4.613 1.00 40.05 H new ATOM 0 HD1 PHE A 61 1.189 1.827 -2.630 1.00 41.22 H new ATOM 0 HD2 PHE A 61 -0.433 5.095 -4.831 1.00 73.52 H new ATOM 0 HE1 PHE A 61 3.203 3.149 -2.151 1.00 2.40 H new ATOM 0 HE2 PHE A 61 1.580 6.418 -4.353 1.00 52.55 H new ATOM 0 HZ PHE A 61 3.404 5.447 -3.015 1.00 52.12 H new ATOM 969 N ALA A 62 -0.805 3.101 -0.810 1.00 41.24 N ATOM 970 CA ALA A 62 -0.759 4.092 0.257 1.00 4.25 C ATOM 971 C ALA A 62 0.660 4.611 0.464 1.00 44.01 C ATOM 972 O ALA A 62 1.591 3.834 0.671 1.00 23.11 O ATOM 973 CB ALA A 62 -1.300 3.500 1.551 1.00 44.45 C ATOM 0 H ALA A 62 -0.056 2.409 -0.776 1.00 41.24 H new ATOM 0 HA ALA A 62 -1.387 4.934 -0.036 1.00 4.25 H new ATOM 0 HB1 ALA A 62 -1.260 4.251 2.340 1.00 44.45 H new ATOM 0 HB2 ALA A 62 -2.333 3.184 1.403 1.00 44.45 H new ATOM 0 HB3 ALA A 62 -0.695 2.640 1.838 1.00 44.45 H new ATOM 979 N ASN A 63 0.818 5.929 0.405 1.00 11.40 N ATOM 980 CA ASN A 63 2.125 6.552 0.584 1.00 34.24 C ATOM 981 C ASN A 63 2.368 6.892 2.052 1.00 65.34 C ATOM 982 O ASN A 63 1.690 7.745 2.623 1.00 11.24 O ATOM 983 CB ASN A 63 2.231 7.818 -0.269 1.00 21.45 C ATOM 984 CG ASN A 63 3.619 8.426 -0.229 1.00 4.53 C ATOM 985 OD1 ASN A 63 4.202 8.601 0.842 1.00 42.24 O ATOM 986 ND2 ASN A 63 4.156 8.753 -1.399 1.00 12.12 N ATOM 0 H ASN A 63 0.057 6.587 0.235 1.00 11.40 H new ATOM 0 HA ASN A 63 2.886 5.841 0.263 1.00 34.24 H new ATOM 0 HB2 ASN A 63 1.971 7.581 -1.301 1.00 21.45 H new ATOM 0 HB3 ASN A 63 1.505 8.552 0.082 1.00 21.45 H new ATOM 0 HD21 ASN A 63 5.088 9.167 -1.435 1.00 12.12 H new ATOM 0 HD22 ASN A 63 3.637 8.590 -2.262 1.00 12.12 H new ATOM 993 N PHE A 64 3.342 6.218 2.655 1.00 2.42 N ATOM 994 CA PHE A 64 3.676 6.448 4.056 1.00 1.40 C ATOM 995 C PHE A 64 4.368 7.796 4.236 1.00 43.31 C ATOM 996 O PHE A 64 5.371 8.085 3.582 1.00 74.52 O ATOM 997 CB PHE A 64 4.576 5.327 4.579 1.00 71.54 C ATOM 998 CG PHE A 64 3.904 4.440 5.588 1.00 10.53 C ATOM 999 CD1 PHE A 64 3.621 4.909 6.861 1.00 12.02 C ATOM 1000 CD2 PHE A 64 3.555 3.139 5.264 1.00 1.35 C ATOM 1001 CE1 PHE A 64 3.003 4.095 7.792 1.00 4.42 C ATOM 1002 CE2 PHE A 64 2.937 2.321 6.191 1.00 1.14 C ATOM 1003 CZ PHE A 64 2.660 2.800 7.457 1.00 50.34 C ATOM 0 H PHE A 64 3.913 5.509 2.196 1.00 2.42 H new ATOM 0 HA PHE A 64 2.748 6.456 4.628 1.00 1.40 H new ATOM 0 HB2 PHE A 64 4.911 4.719 3.739 1.00 71.54 H new ATOM 0 HB3 PHE A 64 5.466 5.767 5.029 1.00 71.54 H new ATOM 0 HD1 PHE A 64 3.886 5.921 7.129 1.00 12.02 H new ATOM 0 HD2 PHE A 64 3.768 2.760 4.276 1.00 1.35 H new ATOM 0 HE1 PHE A 64 2.789 4.472 8.781 1.00 4.42 H new ATOM 0 HE2 PHE A 64 2.671 1.308 5.926 1.00 1.14 H new ATOM 0 HZ PHE A 64 2.176 2.163 8.183 1.00 50.34 H new ATOM 1013 N VAL A 65 3.825 8.619 5.128 1.00 44.24 N ATOM 1014 CA VAL A 65 4.390 9.937 5.395 1.00 32.30 C ATOM 1015 C VAL A 65 5.819 9.827 5.914 1.00 1.30 C ATOM 1016 O VAL A 65 6.609 10.764 5.793 1.00 61.32 O ATOM 1017 CB VAL A 65 3.541 10.713 6.419 1.00 4.34 C ATOM 1018 CG1 VAL A 65 4.188 12.051 6.744 1.00 42.20 C ATOM 1019 CG2 VAL A 65 2.125 10.909 5.899 1.00 64.30 C ATOM 0 H VAL A 65 2.995 8.397 5.678 1.00 44.24 H new ATOM 0 HA VAL A 65 4.391 10.479 4.450 1.00 32.30 H new ATOM 0 HB VAL A 65 3.488 10.129 7.338 1.00 4.34 H new ATOM 0 HG11 VAL A 65 3.574 12.585 7.469 1.00 42.20 H new ATOM 0 HG12 VAL A 65 5.180 11.883 7.162 1.00 42.20 H new ATOM 0 HG13 VAL A 65 4.274 12.644 5.834 1.00 42.20 H new ATOM 0 HG21 VAL A 65 1.540 11.459 6.636 1.00 64.30 H new ATOM 0 HG22 VAL A 65 2.155 11.471 4.966 1.00 64.30 H new ATOM 0 HG23 VAL A 65 1.664 9.937 5.722 1.00 64.30 H new ATOM 1029 N LYS A 66 6.146 8.677 6.493 1.00 71.21 N ATOM 1030 CA LYS A 66 7.481 8.442 7.030 1.00 41.12 C ATOM 1031 C LYS A 66 8.103 7.193 6.414 1.00 20.44 C ATOM 1032 O LYS A 66 7.504 6.548 5.553 1.00 2.01 O ATOM 1033 CB LYS A 66 7.423 8.299 8.552 1.00 30.23 C ATOM 1034 CG LYS A 66 7.619 9.609 9.295 1.00 52.45 C ATOM 1035 CD LYS A 66 6.362 10.463 9.260 1.00 21.12 C ATOM 1036 CE LYS A 66 6.696 11.947 9.262 1.00 70.20 C ATOM 1037 NZ LYS A 66 5.487 12.787 9.486 1.00 21.00 N ATOM 0 H LYS A 66 5.504 7.892 6.603 1.00 71.21 H new ATOM 0 HA LYS A 66 8.104 9.300 6.776 1.00 41.12 H new ATOM 0 HB2 LYS A 66 6.459 7.873 8.832 1.00 30.23 H new ATOM 0 HB3 LYS A 66 8.189 7.592 8.871 1.00 30.23 H new ATOM 0 HG2 LYS A 66 7.892 9.404 10.330 1.00 52.45 H new ATOM 0 HG3 LYS A 66 8.447 10.160 8.850 1.00 52.45 H new ATOM 0 HD2 LYS A 66 5.781 10.221 8.370 1.00 21.12 H new ATOM 0 HD3 LYS A 66 5.737 10.228 10.122 1.00 21.12 H new ATOM 0 HE2 LYS A 66 7.431 12.153 10.040 1.00 70.20 H new ATOM 0 HE3 LYS A 66 7.155 12.217 8.311 1.00 70.20 H new ATOM 0 HZ1 LYS A 66 5.459 13.551 8.781 1.00 21.00 H new ATOM 0 HZ2 LYS A 66 4.634 12.199 9.394 1.00 21.00 H new ATOM 0 HZ3 LYS A 66 5.522 13.199 10.440 1.00 21.00 H new ATOM 1051 N LYS A 67 9.307 6.855 6.862 1.00 24.35 N ATOM 1052 CA LYS A 67 10.010 5.681 6.358 1.00 22.25 C ATOM 1053 C LYS A 67 9.669 4.446 7.186 1.00 61.41 C ATOM 1054 O LYS A 67 9.950 4.393 8.383 1.00 40.21 O ATOM 1055 CB LYS A 67 11.522 5.919 6.377 1.00 32.22 C ATOM 1056 CG LYS A 67 11.967 7.073 5.496 1.00 13.43 C ATOM 1057 CD LYS A 67 12.357 6.597 4.107 1.00 34.12 C ATOM 1058 CE LYS A 67 13.861 6.670 3.895 1.00 60.41 C ATOM 1059 NZ LYS A 67 14.287 8.007 3.396 1.00 32.51 N ATOM 0 H LYS A 67 9.817 7.378 7.574 1.00 24.35 H new ATOM 0 HA LYS A 67 9.688 5.509 5.331 1.00 22.25 H new ATOM 0 HB2 LYS A 67 11.838 6.113 7.402 1.00 32.22 H new ATOM 0 HB3 LYS A 67 12.029 5.010 6.054 1.00 32.22 H new ATOM 0 HG2 LYS A 67 11.162 7.804 5.418 1.00 13.43 H new ATOM 0 HG3 LYS A 67 12.814 7.580 5.959 1.00 13.43 H new ATOM 0 HD2 LYS A 67 12.018 5.571 3.964 1.00 34.12 H new ATOM 0 HD3 LYS A 67 11.853 7.207 3.357 1.00 34.12 H new ATOM 0 HE2 LYS A 67 14.371 6.453 4.834 1.00 60.41 H new ATOM 0 HE3 LYS A 67 14.165 5.903 3.183 1.00 60.41 H new ATOM 0 HZ1 LYS A 67 15.319 8.016 3.264 1.00 32.51 H new ATOM 0 HZ2 LYS A 67 13.820 8.203 2.488 1.00 32.51 H new ATOM 0 HZ3 LYS A 67 14.020 8.737 4.087 1.00 32.51 H new ATOM 1073 N GLN A 68 9.064 3.454 6.540 1.00 51.55 N ATOM 1074 CA GLN A 68 8.686 2.220 7.217 1.00 71.22 C ATOM 1075 C GLN A 68 9.173 1.001 6.439 1.00 10.44 C ATOM 1076 O GLN A 68 9.362 1.061 5.224 1.00 50.30 O ATOM 1077 CB GLN A 68 7.168 2.154 7.393 1.00 71.12 C ATOM 1078 CG GLN A 68 6.574 3.401 8.027 1.00 2.24 C ATOM 1079 CD GLN A 68 7.341 3.853 9.255 1.00 60.03 C ATOM 1080 OE1 GLN A 68 7.845 3.033 10.022 1.00 24.05 O ATOM 1081 NE2 GLN A 68 7.433 5.164 9.446 1.00 22.31 N ATOM 0 H GLN A 68 8.825 3.481 5.549 1.00 51.55 H new ATOM 0 HA GLN A 68 9.159 2.215 8.199 1.00 71.22 H new ATOM 0 HB2 GLN A 68 6.704 1.996 6.419 1.00 71.12 H new ATOM 0 HB3 GLN A 68 6.919 1.290 8.009 1.00 71.12 H new ATOM 0 HG2 GLN A 68 6.563 4.207 7.293 1.00 2.24 H new ATOM 0 HG3 GLN A 68 5.538 3.206 8.302 1.00 2.24 H new ATOM 0 HE21 GLN A 68 6.999 5.807 8.784 1.00 22.31 H new ATOM 0 HE22 GLN A 68 7.937 5.527 10.255 1.00 22.31 H new ATOM 1090 N THR A 69 9.375 -0.105 7.148 1.00 3.14 N ATOM 1091 CA THR A 69 9.842 -1.337 6.526 1.00 72.23 C ATOM 1092 C THR A 69 8.674 -2.249 6.169 1.00 73.24 C ATOM 1093 O THR A 69 7.529 -1.979 6.531 1.00 14.21 O ATOM 1094 CB THR A 69 10.811 -2.101 7.448 1.00 41.42 C ATOM 1095 OG1 THR A 69 10.078 -2.789 8.467 1.00 71.21 O ATOM 1096 CG2 THR A 69 11.810 -1.149 8.089 1.00 31.34 C ATOM 0 H THR A 69 9.222 -0.172 8.154 1.00 3.14 H new ATOM 0 HA THR A 69 10.369 -1.051 5.616 1.00 72.23 H new ATOM 0 HB THR A 69 11.358 -2.825 6.844 1.00 41.42 H new ATOM 0 HG1 THR A 69 10.701 -3.274 9.048 1.00 71.21 H new ATOM 0 HG21 THR A 69 12.484 -1.710 8.736 1.00 31.34 H new ATOM 0 HG22 THR A 69 12.387 -0.649 7.311 1.00 31.34 H new ATOM 0 HG23 THR A 69 11.276 -0.405 8.680 1.00 31.34 H new ATOM 1104 N PHE A 70 8.970 -3.331 5.456 1.00 22.23 N ATOM 1105 CA PHE A 70 7.944 -4.284 5.050 1.00 54.12 C ATOM 1106 C PHE A 70 7.275 -4.916 6.267 1.00 4.14 C ATOM 1107 O PHE A 70 6.053 -4.888 6.402 1.00 10.11 O ATOM 1108 CB PHE A 70 8.551 -5.374 4.164 1.00 1.32 C ATOM 1109 CG PHE A 70 7.731 -6.631 4.113 1.00 22.14 C ATOM 1110 CD1 PHE A 70 6.576 -6.690 3.350 1.00 22.44 C ATOM 1111 CD2 PHE A 70 8.115 -7.754 4.829 1.00 1.42 C ATOM 1112 CE1 PHE A 70 5.820 -7.846 3.301 1.00 35.11 C ATOM 1113 CE2 PHE A 70 7.363 -8.912 4.784 1.00 72.15 C ATOM 1114 CZ PHE A 70 6.213 -8.958 4.020 1.00 70.05 C ATOM 0 H PHE A 70 9.913 -3.570 5.147 1.00 22.23 H new ATOM 0 HA PHE A 70 7.187 -3.743 4.482 1.00 54.12 H new ATOM 0 HB2 PHE A 70 8.669 -4.985 3.153 1.00 1.32 H new ATOM 0 HB3 PHE A 70 9.549 -5.615 4.531 1.00 1.32 H new ATOM 0 HD1 PHE A 70 6.263 -5.823 2.787 1.00 22.44 H new ATOM 0 HD2 PHE A 70 9.012 -7.723 5.429 1.00 1.42 H new ATOM 0 HE1 PHE A 70 4.923 -7.880 2.701 1.00 35.11 H new ATOM 0 HE2 PHE A 70 7.674 -9.781 5.346 1.00 72.15 H new ATOM 0 HZ PHE A 70 5.622 -9.862 3.985 1.00 70.05 H new ATOM 1124 N ASN A 71 8.088 -5.486 7.151 1.00 31.23 N ATOM 1125 CA ASN A 71 7.576 -6.127 8.358 1.00 43.35 C ATOM 1126 C ASN A 71 6.837 -5.121 9.235 1.00 22.55 C ATOM 1127 O ASN A 71 5.781 -5.424 9.791 1.00 11.11 O ATOM 1128 CB ASN A 71 8.722 -6.764 9.146 1.00 33.44 C ATOM 1129 CG ASN A 71 8.758 -8.273 8.995 1.00 45.12 C ATOM 1130 OD1 ASN A 71 8.195 -8.827 8.051 1.00 41.02 O ATOM 1131 ND2 ASN A 71 9.424 -8.945 9.927 1.00 12.11 N ATOM 0 H ASN A 71 9.103 -5.517 7.055 1.00 31.23 H new ATOM 0 HA ASN A 71 6.874 -6.905 8.058 1.00 43.35 H new ATOM 0 HB2 ASN A 71 9.669 -6.345 8.807 1.00 33.44 H new ATOM 0 HB3 ASN A 71 8.620 -6.509 10.201 1.00 33.44 H new ATOM 0 HD21 ASN A 71 9.484 -9.962 9.878 1.00 12.11 H new ATOM 0 HD22 ASN A 71 9.876 -8.444 10.692 1.00 12.11 H new ATOM 1138 N LYS A 72 7.399 -3.924 9.356 1.00 43.42 N ATOM 1139 CA LYS A 72 6.794 -2.872 10.164 1.00 3.40 C ATOM 1140 C LYS A 72 5.455 -2.438 9.578 1.00 54.41 C ATOM 1141 O LYS A 72 4.451 -2.363 10.286 1.00 13.44 O ATOM 1142 CB LYS A 72 7.735 -1.668 10.259 1.00 21.32 C ATOM 1143 CG LYS A 72 7.626 -0.913 11.573 1.00 71.25 C ATOM 1144 CD LYS A 72 6.199 -0.467 11.842 1.00 34.23 C ATOM 1145 CE LYS A 72 6.117 0.427 13.070 1.00 53.43 C ATOM 1146 NZ LYS A 72 6.786 -0.187 14.250 1.00 71.24 N ATOM 0 H LYS A 72 8.274 -3.658 8.904 1.00 43.42 H new ATOM 0 HA LYS A 72 6.621 -3.271 11.164 1.00 3.40 H new ATOM 0 HB2 LYS A 72 8.762 -2.009 10.130 1.00 21.32 H new ATOM 0 HB3 LYS A 72 7.521 -0.984 9.438 1.00 21.32 H new ATOM 0 HG2 LYS A 72 7.969 -1.549 12.389 1.00 71.25 H new ATOM 0 HG3 LYS A 72 8.282 -0.043 11.549 1.00 71.25 H new ATOM 0 HD2 LYS A 72 5.814 0.069 10.974 1.00 34.23 H new ATOM 0 HD3 LYS A 72 5.564 -1.341 11.984 1.00 34.23 H new ATOM 0 HE2 LYS A 72 6.580 1.389 12.850 1.00 53.43 H new ATOM 0 HE3 LYS A 72 5.071 0.623 13.307 1.00 53.43 H new ATOM 0 HZ1 LYS A 72 6.524 0.337 15.109 1.00 71.24 H new ATOM 0 HZ2 LYS A 72 6.485 -1.178 14.343 1.00 71.24 H new ATOM 0 HZ3 LYS A 72 7.818 -0.149 14.123 1.00 71.24 H new ATOM 1160 N VAL A 73 5.446 -2.154 8.279 1.00 31.12 N ATOM 1161 CA VAL A 73 4.229 -1.730 7.597 1.00 31.33 C ATOM 1162 C VAL A 73 3.097 -2.726 7.823 1.00 21.33 C ATOM 1163 O VAL A 73 1.920 -2.372 7.755 1.00 10.13 O ATOM 1164 CB VAL A 73 4.461 -1.569 6.083 1.00 0.43 C ATOM 1165 CG1 VAL A 73 3.134 -1.449 5.349 1.00 22.32 C ATOM 1166 CG2 VAL A 73 5.344 -0.361 5.806 1.00 73.10 C ATOM 0 H VAL A 73 6.268 -2.210 7.678 1.00 31.12 H new ATOM 0 HA VAL A 73 3.950 -0.765 8.019 1.00 31.33 H new ATOM 0 HB VAL A 73 4.973 -2.458 5.714 1.00 0.43 H new ATOM 0 HG11 VAL A 73 3.318 -1.336 4.281 1.00 22.32 H new ATOM 0 HG12 VAL A 73 2.540 -2.346 5.522 1.00 22.32 H new ATOM 0 HG13 VAL A 73 2.592 -0.578 5.718 1.00 22.32 H new ATOM 0 HG21 VAL A 73 5.498 -0.262 4.732 1.00 73.10 H new ATOM 0 HG22 VAL A 73 4.861 0.538 6.188 1.00 73.10 H new ATOM 0 HG23 VAL A 73 6.307 -0.493 6.300 1.00 73.10 H new ATOM 1176 N LYS A 74 3.461 -3.975 8.093 1.00 32.43 N ATOM 1177 CA LYS A 74 2.477 -5.025 8.332 1.00 51.23 C ATOM 1178 C LYS A 74 1.669 -4.736 9.593 1.00 73.42 C ATOM 1179 O LYS A 74 0.648 -5.376 9.847 1.00 62.33 O ATOM 1180 CB LYS A 74 3.170 -6.383 8.457 1.00 61.40 C ATOM 1181 CG LYS A 74 3.999 -6.758 7.241 1.00 41.34 C ATOM 1182 CD LYS A 74 3.786 -8.210 6.846 1.00 41.51 C ATOM 1183 CE LYS A 74 2.856 -8.331 5.649 1.00 51.15 C ATOM 1184 NZ LYS A 74 2.784 -9.729 5.141 1.00 23.13 N ATOM 0 H LYS A 74 4.431 -4.285 8.152 1.00 32.43 H new ATOM 0 HA LYS A 74 1.795 -5.050 7.482 1.00 51.23 H new ATOM 0 HB2 LYS A 74 3.814 -6.373 9.336 1.00 61.40 H new ATOM 0 HB3 LYS A 74 2.416 -7.152 8.623 1.00 61.40 H new ATOM 0 HG2 LYS A 74 3.734 -6.110 6.405 1.00 41.34 H new ATOM 0 HG3 LYS A 74 5.055 -6.589 7.453 1.00 41.34 H new ATOM 0 HD2 LYS A 74 4.746 -8.669 6.610 1.00 41.51 H new ATOM 0 HD3 LYS A 74 3.369 -8.760 7.689 1.00 41.51 H new ATOM 0 HE2 LYS A 74 1.858 -7.995 5.929 1.00 51.15 H new ATOM 0 HE3 LYS A 74 3.202 -7.673 4.852 1.00 51.15 H new ATOM 0 HZ1 LYS A 74 2.140 -9.769 4.325 1.00 23.13 H new ATOM 0 HZ2 LYS A 74 3.732 -10.042 4.849 1.00 23.13 H new ATOM 0 HZ3 LYS A 74 2.429 -10.354 5.893 1.00 23.13 H new ATOM 1198 N TRP A 75 2.131 -3.770 10.378 1.00 54.25 N ATOM 1199 CA TRP A 75 1.449 -3.396 11.612 1.00 72.23 C ATOM 1200 C TRP A 75 0.133 -2.687 11.313 1.00 34.02 C ATOM 1201 O TRP A 75 -0.754 -2.620 12.165 1.00 74.34 O ATOM 1202 CB TRP A 75 2.346 -2.496 12.462 1.00 44.42 C ATOM 1203 CG TRP A 75 2.355 -1.067 12.008 1.00 63.22 C ATOM 1204 CD1 TRP A 75 2.388 -0.617 10.719 1.00 71.12 C ATOM 1205 CD2 TRP A 75 2.333 0.097 12.841 1.00 63.11 C ATOM 1206 NE1 TRP A 75 2.388 0.757 10.700 1.00 35.25 N ATOM 1207 CE2 TRP A 75 2.353 1.219 11.989 1.00 24.05 C ATOM 1208 CE3 TRP A 75 2.296 0.301 14.223 1.00 65.21 C ATOM 1209 CZ2 TRP A 75 2.339 2.523 12.477 1.00 42.12 C ATOM 1210 CZ3 TRP A 75 2.283 1.596 14.705 1.00 73.21 C ATOM 1211 CH2 TRP A 75 2.303 2.693 13.834 1.00 2.41 C ATOM 0 H TRP A 75 2.975 -3.231 10.182 1.00 54.25 H new ATOM 0 HA TRP A 75 1.231 -4.308 12.168 1.00 72.23 H new ATOM 0 HB2 TRP A 75 2.013 -2.538 13.499 1.00 44.42 H new ATOM 0 HB3 TRP A 75 3.364 -2.884 12.438 1.00 44.42 H new ATOM 0 HD1 TRP A 75 2.411 -1.248 9.843 1.00 71.12 H new ATOM 0 HE1 TRP A 75 2.410 1.338 9.862 1.00 35.25 H new ATOM 0 HE3 TRP A 75 2.278 -0.538 14.902 1.00 65.21 H new ATOM 0 HZ2 TRP A 75 2.356 3.370 11.808 1.00 42.12 H new ATOM 0 HZ3 TRP A 75 2.257 1.765 15.771 1.00 73.21 H new ATOM 0 HH2 TRP A 75 2.290 3.693 14.242 1.00 2.41 H new ATOM 1222 N TYR A 76 0.012 -2.159 10.100 1.00 31.13 N ATOM 1223 CA TYR A 76 -1.196 -1.453 9.691 1.00 52.30 C ATOM 1224 C TYR A 76 -1.926 -2.214 8.588 1.00 25.44 C ATOM 1225 O TYR A 76 -3.129 -2.462 8.679 1.00 2.35 O ATOM 1226 CB TYR A 76 -0.849 -0.043 9.209 1.00 74.12 C ATOM 1227 CG TYR A 76 -1.170 1.038 10.217 1.00 70.55 C ATOM 1228 CD1 TYR A 76 -2.343 0.996 10.960 1.00 53.35 C ATOM 1229 CD2 TYR A 76 -0.299 2.099 10.426 1.00 2.53 C ATOM 1230 CE1 TYR A 76 -2.640 1.982 11.881 1.00 74.04 C ATOM 1231 CE2 TYR A 76 -0.587 3.089 11.346 1.00 30.14 C ATOM 1232 CZ TYR A 76 -1.759 3.026 12.071 1.00 72.13 C ATOM 1233 OH TYR A 76 -2.051 4.009 12.988 1.00 21.04 O ATOM 0 H TYR A 76 0.736 -2.207 9.383 1.00 31.13 H new ATOM 0 HA TYR A 76 -1.855 -1.383 10.556 1.00 52.30 H new ATOM 0 HB2 TYR A 76 0.214 -0.001 8.970 1.00 74.12 H new ATOM 0 HB3 TYR A 76 -1.392 0.160 8.286 1.00 74.12 H new ATOM 0 HD1 TYR A 76 -3.034 0.179 10.815 1.00 53.35 H new ATOM 0 HD2 TYR A 76 0.619 2.151 9.860 1.00 2.53 H new ATOM 0 HE1 TYR A 76 -3.557 1.936 12.449 1.00 74.04 H new ATOM 0 HE2 TYR A 76 0.101 3.907 11.497 1.00 30.14 H new ATOM 0 HH TYR A 76 -1.218 4.370 13.357 1.00 21.04 H new ATOM 1243 N LEU A 77 -1.188 -2.584 7.547 1.00 33.41 N ATOM 1244 CA LEU A 77 -1.763 -3.319 6.425 1.00 21.35 C ATOM 1245 C LEU A 77 -2.067 -4.762 6.818 1.00 42.42 C ATOM 1246 O LEU A 77 -2.746 -5.484 6.089 1.00 24.02 O ATOM 1247 CB LEU A 77 -0.808 -3.294 5.231 1.00 63.11 C ATOM 1248 CG LEU A 77 -0.655 -1.948 4.522 1.00 74.14 C ATOM 1249 CD1 LEU A 77 0.471 -2.007 3.501 1.00 34.00 C ATOM 1250 CD2 LEU A 77 -1.962 -1.546 3.854 1.00 74.21 C ATOM 0 H LEU A 77 -0.191 -2.387 7.456 1.00 33.41 H new ATOM 0 HA LEU A 77 -2.698 -2.833 6.145 1.00 21.35 H new ATOM 0 HB2 LEU A 77 0.176 -3.617 5.571 1.00 63.11 H new ATOM 0 HB3 LEU A 77 -1.150 -4.029 4.502 1.00 63.11 H new ATOM 0 HG LEU A 77 -0.403 -1.193 5.267 1.00 74.14 H new ATOM 0 HD11 LEU A 77 0.565 -1.040 3.007 1.00 34.00 H new ATOM 0 HD12 LEU A 77 1.407 -2.249 4.005 1.00 34.00 H new ATOM 0 HD13 LEU A 77 0.249 -2.774 2.759 1.00 34.00 H new ATOM 0 HD21 LEU A 77 -1.835 -0.586 3.354 1.00 74.21 H new ATOM 0 HD22 LEU A 77 -2.244 -2.302 3.121 1.00 74.21 H new ATOM 0 HD23 LEU A 77 -2.745 -1.462 4.608 1.00 74.21 H new ATOM 1262 N GLY A 78 -1.561 -5.174 7.976 1.00 4.23 N ATOM 1263 CA GLY A 78 -1.790 -6.527 8.447 1.00 75.34 C ATOM 1264 C GLY A 78 -1.090 -7.565 7.592 1.00 2.21 C ATOM 1265 O GLY A 78 -0.834 -7.335 6.411 1.00 63.34 O ATOM 0 H GLY A 78 -0.996 -4.594 8.597 1.00 4.23 H new ATOM 0 HA2 GLY A 78 -1.442 -6.614 9.476 1.00 75.34 H new ATOM 0 HA3 GLY A 78 -2.861 -6.729 8.455 1.00 75.34 H new ATOM 1269 N ALA A 79 -0.777 -8.709 8.191 1.00 33.31 N ATOM 1270 CA ALA A 79 -0.102 -9.786 7.477 1.00 51.20 C ATOM 1271 C ALA A 79 -1.065 -10.517 6.548 1.00 53.22 C ATOM 1272 O ALA A 79 -0.657 -11.075 5.529 1.00 23.04 O ATOM 1273 CB ALA A 79 0.526 -10.760 8.462 1.00 35.54 C ATOM 0 H ALA A 79 -0.980 -8.914 9.169 1.00 33.31 H new ATOM 0 HA ALA A 79 0.686 -9.345 6.866 1.00 51.20 H new ATOM 0 HB1 ALA A 79 1.026 -11.559 7.915 1.00 35.54 H new ATOM 0 HB2 ALA A 79 1.253 -10.234 9.081 1.00 35.54 H new ATOM 0 HB3 ALA A 79 -0.250 -11.186 9.097 1.00 35.54 H new ATOM 1279 N ARG A 80 -2.345 -10.510 6.906 1.00 52.05 N ATOM 1280 CA ARG A 80 -3.366 -11.174 6.104 1.00 20.32 C ATOM 1281 C ARG A 80 -3.308 -10.707 4.653 1.00 44.31 C ATOM 1282 O ARG A 80 -3.424 -11.510 3.726 1.00 4.25 O ATOM 1283 CB ARG A 80 -4.756 -10.903 6.683 1.00 3.12 C ATOM 1284 CG ARG A 80 -4.901 -11.317 8.138 1.00 20.43 C ATOM 1285 CD ARG A 80 -5.445 -12.732 8.263 1.00 55.21 C ATOM 1286 NE ARG A 80 -6.852 -12.813 7.877 1.00 2.24 N ATOM 1287 CZ ARG A 80 -7.562 -13.935 7.919 1.00 2.33 C ATOM 1288 NH1 ARG A 80 -7.000 -15.064 8.328 1.00 41.11 N ATOM 1289 NH2 ARG A 80 -8.837 -13.928 7.552 1.00 20.44 N ATOM 0 H ARG A 80 -2.700 -10.052 7.746 1.00 52.05 H new ATOM 0 HA ARG A 80 -3.171 -12.246 6.130 1.00 20.32 H new ATOM 0 HB2 ARG A 80 -4.977 -9.839 6.593 1.00 3.12 H new ATOM 0 HB3 ARG A 80 -5.498 -11.434 6.087 1.00 3.12 H new ATOM 0 HG2 ARG A 80 -3.932 -11.253 8.634 1.00 20.43 H new ATOM 0 HG3 ARG A 80 -5.568 -10.623 8.650 1.00 20.43 H new ATOM 0 HD2 ARG A 80 -4.858 -13.403 7.636 1.00 55.21 H new ATOM 0 HD3 ARG A 80 -5.331 -13.075 9.291 1.00 55.21 H new ATOM 0 HE ARG A 80 -7.314 -11.962 7.558 1.00 2.24 H new ATOM 0 HH11 ARG A 80 -6.020 -15.072 8.611 1.00 41.11 H new ATOM 0 HH12 ARG A 80 -7.547 -15.924 8.359 1.00 41.11 H new ATOM 0 HH21 ARG A 80 -9.272 -13.061 7.237 1.00 20.44 H new ATOM 0 HH22 ARG A 80 -9.382 -14.790 7.584 1.00 20.44 H new ATOM 1303 N CYS A 81 -3.128 -9.404 4.463 1.00 23.34 N ATOM 1304 CA CYS A 81 -3.055 -8.829 3.125 1.00 73.31 C ATOM 1305 C CYS A 81 -1.609 -8.734 2.652 1.00 45.13 C ATOM 1306 O CYS A 81 -0.737 -8.252 3.377 1.00 75.22 O ATOM 1307 CB CYS A 81 -3.703 -7.444 3.107 1.00 50.03 C ATOM 1308 SG CYS A 81 -5.308 -7.368 3.937 1.00 64.44 S ATOM 0 H CYS A 81 -3.030 -8.726 5.219 1.00 23.34 H new ATOM 0 HA CYS A 81 -3.598 -9.485 2.444 1.00 73.31 H new ATOM 0 HB2 CYS A 81 -3.027 -6.732 3.581 1.00 50.03 H new ATOM 0 HB3 CYS A 81 -3.826 -7.126 2.072 1.00 50.03 H new ATOM 0 HG CYS A 81 -5.516 -8.478 4.581 1.00 64.44 H new ATOM 1314 N HIS A 82 -1.359 -9.198 1.431 1.00 3.52 N ATOM 1315 CA HIS A 82 -0.016 -9.165 0.861 1.00 35.51 C ATOM 1316 C HIS A 82 0.377 -7.742 0.476 1.00 35.33 C ATOM 1317 O HIS A 82 -0.344 -7.067 -0.259 1.00 0.30 O ATOM 1318 CB HIS A 82 0.062 -10.078 -0.364 1.00 2.55 C ATOM 1319 CG HIS A 82 1.464 -10.411 -0.773 1.00 52.31 C ATOM 1320 ND1 HIS A 82 2.190 -11.436 -0.206 1.00 30.44 N ATOM 1321 CD2 HIS A 82 2.272 -9.848 -1.702 1.00 22.43 C ATOM 1322 CE1 HIS A 82 3.385 -11.489 -0.766 1.00 61.31 C ATOM 1323 NE2 HIS A 82 3.460 -10.537 -1.678 1.00 3.53 N ATOM 0 H HIS A 82 -2.068 -9.601 0.818 1.00 3.52 H new ATOM 0 HA HIS A 82 0.682 -9.523 1.617 1.00 35.51 H new ATOM 0 HB2 HIS A 82 -0.476 -11.002 -0.153 1.00 2.55 H new ATOM 0 HB3 HIS A 82 -0.447 -9.597 -1.199 1.00 2.55 H new ATOM 0 HD2 HIS A 82 2.028 -9.013 -2.342 1.00 22.43 H new ATOM 0 HE1 HIS A 82 4.168 -12.191 -0.520 1.00 61.31 H new ATOM 0 HE2 HIS A 82 4.269 -10.345 -2.269 1.00 3.53 H new ATOM 1331 N ILE A 83 1.522 -7.294 0.979 1.00 50.25 N ATOM 1332 CA ILE A 83 2.010 -5.952 0.687 1.00 51.42 C ATOM 1333 C ILE A 83 3.292 -6.000 -0.137 1.00 42.21 C ATOM 1334 O ILE A 83 4.092 -6.925 -0.003 1.00 45.23 O ATOM 1335 CB ILE A 83 2.273 -5.155 1.978 1.00 15.04 C ATOM 1336 CG1 ILE A 83 3.394 -5.809 2.788 1.00 32.41 C ATOM 1337 CG2 ILE A 83 1.001 -5.056 2.808 1.00 71.52 C ATOM 1338 CD1 ILE A 83 3.748 -5.054 4.050 1.00 33.42 C ATOM 0 H ILE A 83 2.129 -7.840 1.590 1.00 50.25 H new ATOM 0 HA ILE A 83 1.230 -5.451 0.113 1.00 51.42 H new ATOM 0 HB ILE A 83 2.587 -4.147 1.707 1.00 15.04 H new ATOM 0 HG12 ILE A 83 3.095 -6.823 3.053 1.00 32.41 H new ATOM 0 HG13 ILE A 83 4.283 -5.891 2.162 1.00 32.41 H new ATOM 0 HG21 ILE A 83 1.203 -4.490 3.717 1.00 71.52 H new ATOM 0 HG22 ILE A 83 0.228 -4.550 2.230 1.00 71.52 H new ATOM 0 HG23 ILE A 83 0.660 -6.057 3.072 1.00 71.52 H new ATOM 0 HD11 ILE A 83 4.550 -5.575 4.573 1.00 33.42 H new ATOM 0 HD12 ILE A 83 4.078 -4.048 3.792 1.00 33.42 H new ATOM 0 HD13 ILE A 83 2.872 -4.994 4.696 1.00 33.42 H new ATOM 1350 N GLU A 84 3.481 -4.996 -0.988 1.00 13.22 N ATOM 1351 CA GLU A 84 4.667 -4.924 -1.833 1.00 10.24 C ATOM 1352 C GLU A 84 5.049 -3.473 -2.112 1.00 72.00 C ATOM 1353 O GLU A 84 4.254 -2.557 -1.898 1.00 22.33 O ATOM 1354 CB GLU A 84 4.427 -5.662 -3.151 1.00 70.50 C ATOM 1355 CG GLU A 84 5.622 -6.476 -3.619 1.00 51.12 C ATOM 1356 CD GLU A 84 5.402 -7.970 -3.479 1.00 11.44 C ATOM 1357 OE1 GLU A 84 4.601 -8.527 -4.258 1.00 52.43 O ATOM 1358 OE2 GLU A 84 6.030 -8.581 -2.590 1.00 20.34 O ATOM 0 H GLU A 84 2.828 -4.222 -1.110 1.00 13.22 H new ATOM 0 HA GLU A 84 5.490 -5.403 -1.302 1.00 10.24 H new ATOM 0 HB2 GLU A 84 3.569 -6.325 -3.036 1.00 70.50 H new ATOM 0 HB3 GLU A 84 4.168 -4.936 -3.922 1.00 70.50 H new ATOM 0 HG2 GLU A 84 5.832 -6.240 -4.662 1.00 51.12 H new ATOM 0 HG3 GLU A 84 6.502 -6.187 -3.044 1.00 51.12 H new ATOM 1365 N LYS A 85 6.271 -3.271 -2.591 1.00 64.14 N ATOM 1366 CA LYS A 85 6.761 -1.933 -2.902 1.00 32.05 C ATOM 1367 C LYS A 85 6.174 -1.431 -4.217 1.00 4.51 C ATOM 1368 O LYS A 85 6.169 -2.146 -5.218 1.00 42.33 O ATOM 1369 CB LYS A 85 8.289 -1.932 -2.979 1.00 2.12 C ATOM 1370 CG LYS A 85 8.845 -2.869 -4.037 1.00 44.53 C ATOM 1371 CD LYS A 85 10.358 -2.976 -3.947 1.00 64.12 C ATOM 1372 CE LYS A 85 10.807 -4.423 -3.807 1.00 51.25 C ATOM 1373 NZ LYS A 85 10.530 -5.211 -5.040 1.00 43.24 N ATOM 0 H LYS A 85 6.942 -4.018 -2.773 1.00 64.14 H new ATOM 0 HA LYS A 85 6.444 -1.262 -2.104 1.00 32.05 H new ATOM 0 HB2 LYS A 85 8.633 -0.919 -3.186 1.00 2.12 H new ATOM 0 HB3 LYS A 85 8.694 -2.214 -2.007 1.00 2.12 H new ATOM 0 HG2 LYS A 85 8.402 -3.858 -3.918 1.00 44.53 H new ATOM 0 HG3 LYS A 85 8.563 -2.510 -5.027 1.00 44.53 H new ATOM 0 HD2 LYS A 85 10.808 -2.539 -4.838 1.00 64.12 H new ATOM 0 HD3 LYS A 85 10.715 -2.399 -3.094 1.00 64.12 H new ATOM 0 HE2 LYS A 85 11.875 -4.453 -3.589 1.00 51.25 H new ATOM 0 HE3 LYS A 85 10.296 -4.882 -2.960 1.00 51.25 H new ATOM 0 HZ1 LYS A 85 10.850 -6.191 -4.905 1.00 43.24 H new ATOM 0 HZ2 LYS A 85 9.508 -5.204 -5.234 1.00 43.24 H new ATOM 0 HZ3 LYS A 85 11.038 -4.789 -5.843 1.00 43.24 H new ATOM 1387 N ALA A 86 5.683 -0.196 -4.207 1.00 14.11 N ATOM 1388 CA ALA A 86 5.097 0.403 -5.400 1.00 64.11 C ATOM 1389 C ALA A 86 6.153 1.138 -6.220 1.00 32.44 C ATOM 1390 O ALA A 86 7.201 1.521 -5.700 1.00 43.25 O ATOM 1391 CB ALA A 86 3.970 1.350 -5.017 1.00 3.44 C ATOM 0 H ALA A 86 5.679 0.409 -3.386 1.00 14.11 H new ATOM 0 HA ALA A 86 4.689 -0.399 -6.016 1.00 64.11 H new ATOM 0 HB1 ALA A 86 3.542 1.790 -5.918 1.00 3.44 H new ATOM 0 HB2 ALA A 86 3.198 0.799 -4.480 1.00 3.44 H new ATOM 0 HB3 ALA A 86 4.361 2.141 -4.378 1.00 3.44 H new ATOM 1397 N LYS A 87 5.870 1.330 -7.503 1.00 52.45 N ATOM 1398 CA LYS A 87 6.794 2.020 -8.396 1.00 60.31 C ATOM 1399 C LYS A 87 6.037 2.826 -9.446 1.00 53.03 C ATOM 1400 O LYS A 87 4.994 2.397 -9.939 1.00 42.42 O ATOM 1401 CB LYS A 87 7.720 1.013 -9.081 1.00 64.43 C ATOM 1402 CG LYS A 87 7.039 0.202 -10.170 1.00 33.11 C ATOM 1403 CD LYS A 87 7.395 -1.272 -10.073 1.00 60.05 C ATOM 1404 CE LYS A 87 6.362 -2.142 -10.773 1.00 62.14 C ATOM 1405 NZ LYS A 87 6.821 -3.553 -10.902 1.00 31.03 N ATOM 0 H LYS A 87 5.007 1.017 -7.949 1.00 52.45 H new ATOM 0 HA LYS A 87 7.392 2.707 -7.798 1.00 60.31 H new ATOM 0 HB2 LYS A 87 8.567 1.546 -9.513 1.00 64.43 H new ATOM 0 HB3 LYS A 87 8.121 0.332 -8.330 1.00 64.43 H new ATOM 0 HG2 LYS A 87 5.958 0.322 -10.092 1.00 33.11 H new ATOM 0 HG3 LYS A 87 7.333 0.585 -11.147 1.00 33.11 H new ATOM 0 HD2 LYS A 87 8.376 -1.441 -10.518 1.00 60.05 H new ATOM 0 HD3 LYS A 87 7.466 -1.562 -9.025 1.00 60.05 H new ATOM 0 HE2 LYS A 87 5.426 -2.114 -10.215 1.00 62.14 H new ATOM 0 HE3 LYS A 87 6.155 -1.735 -11.763 1.00 62.14 H new ATOM 0 HZ1 LYS A 87 6.089 -4.113 -11.384 1.00 31.03 H new ATOM 0 HZ2 LYS A 87 7.701 -3.583 -11.456 1.00 31.03 H new ATOM 0 HZ3 LYS A 87 6.994 -3.950 -9.956 1.00 31.03 H new ATOM 1419 N GLY A 88 6.569 3.996 -9.785 1.00 43.32 N ATOM 1420 CA GLY A 88 5.931 4.843 -10.776 1.00 72.20 C ATOM 1421 C GLY A 88 5.570 6.208 -10.226 1.00 14.32 C ATOM 1422 O GLY A 88 5.746 6.474 -9.036 1.00 71.12 O ATOM 0 H GLY A 88 7.431 4.373 -9.391 1.00 43.32 H new ATOM 0 HA2 GLY A 88 6.598 4.964 -11.630 1.00 72.20 H new ATOM 0 HA3 GLY A 88 5.029 4.352 -11.142 1.00 72.20 H new ATOM 1426 N THR A 89 5.064 7.079 -11.093 1.00 54.43 N ATOM 1427 CA THR A 89 4.679 8.426 -10.689 1.00 25.24 C ATOM 1428 C THR A 89 3.314 8.428 -10.011 1.00 71.32 C ATOM 1429 O THR A 89 2.636 7.401 -9.956 1.00 3.31 O ATOM 1430 CB THR A 89 4.644 9.386 -11.893 1.00 31.32 C ATOM 1431 OG1 THR A 89 3.496 9.112 -12.704 1.00 30.22 O ATOM 1432 CG2 THR A 89 5.907 9.250 -12.730 1.00 53.41 C ATOM 0 H THR A 89 4.911 6.876 -12.081 1.00 54.43 H new ATOM 0 HA THR A 89 5.433 8.771 -9.981 1.00 25.24 H new ATOM 0 HB THR A 89 4.586 10.407 -11.515 1.00 31.32 H new ATOM 0 HG1 THR A 89 3.480 9.727 -13.466 1.00 30.22 H new ATOM 0 HG21 THR A 89 5.860 9.938 -13.574 1.00 53.41 H new ATOM 0 HG22 THR A 89 6.777 9.487 -12.117 1.00 53.41 H new ATOM 0 HG23 THR A 89 5.991 8.228 -13.099 1.00 53.41 H new ATOM 1440 N ASP A 90 2.915 9.586 -9.498 1.00 2.14 N ATOM 1441 CA ASP A 90 1.629 9.722 -8.825 1.00 35.12 C ATOM 1442 C ASP A 90 0.492 9.252 -9.727 1.00 35.54 C ATOM 1443 O ASP A 90 -0.445 8.597 -9.269 1.00 51.33 O ATOM 1444 CB ASP A 90 1.398 11.175 -8.408 1.00 54.31 C ATOM 1445 CG ASP A 90 1.168 12.089 -9.596 1.00 71.31 C ATOM 1446 OD1 ASP A 90 2.145 12.384 -10.315 1.00 43.34 O ATOM 1447 OD2 ASP A 90 0.011 12.507 -9.807 1.00 54.21 O ATOM 0 H ASP A 90 3.464 10.445 -9.535 1.00 2.14 H new ATOM 0 HA ASP A 90 1.645 9.095 -7.934 1.00 35.12 H new ATOM 0 HB2 ASP A 90 0.537 11.226 -7.742 1.00 54.31 H new ATOM 0 HB3 ASP A 90 2.260 11.529 -7.842 1.00 54.31 H new ATOM 1452 N GLN A 91 0.581 9.591 -11.009 1.00 30.53 N ATOM 1453 CA GLN A 91 -0.442 9.204 -11.974 1.00 4.04 C ATOM 1454 C GLN A 91 -0.407 7.701 -12.231 1.00 45.34 C ATOM 1455 O GLN A 91 -1.446 7.072 -12.428 1.00 2.13 O ATOM 1456 CB GLN A 91 -0.246 9.963 -13.287 1.00 54.50 C ATOM 1457 CG GLN A 91 -1.397 10.896 -13.627 1.00 55.23 C ATOM 1458 CD GLN A 91 -1.727 11.852 -12.498 1.00 15.21 C ATOM 1459 OE1 GLN A 91 -1.055 12.867 -12.311 1.00 60.34 O ATOM 1460 NE2 GLN A 91 -2.768 11.533 -11.737 1.00 3.12 N ATOM 0 H GLN A 91 1.350 10.132 -11.404 1.00 30.53 H new ATOM 0 HA GLN A 91 -1.416 9.460 -11.556 1.00 4.04 H new ATOM 0 HB2 GLN A 91 0.675 10.542 -13.228 1.00 54.50 H new ATOM 0 HB3 GLN A 91 -0.120 9.245 -14.097 1.00 54.50 H new ATOM 0 HG2 GLN A 91 -1.144 11.468 -14.520 1.00 55.23 H new ATOM 0 HG3 GLN A 91 -2.280 10.304 -13.867 1.00 55.23 H new ATOM 0 HE21 GLN A 91 -3.297 10.682 -11.927 1.00 3.12 H new ATOM 0 HE22 GLN A 91 -3.038 12.139 -10.962 1.00 3.12 H new ATOM 1469 N GLN A 92 0.795 7.133 -12.230 1.00 1.43 N ATOM 1470 CA GLN A 92 0.964 5.704 -12.465 1.00 5.33 C ATOM 1471 C GLN A 92 0.289 4.888 -11.367 1.00 44.41 C ATOM 1472 O GLN A 92 -0.344 3.869 -11.639 1.00 11.54 O ATOM 1473 CB GLN A 92 2.451 5.351 -12.538 1.00 71.23 C ATOM 1474 CG GLN A 92 2.948 5.104 -13.953 1.00 61.34 C ATOM 1475 CD GLN A 92 3.841 3.882 -14.053 1.00 53.45 C ATOM 1476 OE1 GLN A 92 3.363 2.764 -14.247 1.00 51.23 O ATOM 1477 NE2 GLN A 92 5.146 4.090 -13.922 1.00 14.13 N ATOM 0 H GLN A 92 1.665 7.640 -12.069 1.00 1.43 H new ATOM 0 HA GLN A 92 0.492 5.459 -13.416 1.00 5.33 H new ATOM 0 HB2 GLN A 92 3.030 6.161 -12.094 1.00 71.23 H new ATOM 0 HB3 GLN A 92 2.635 4.461 -11.937 1.00 71.23 H new ATOM 0 HG2 GLN A 92 2.093 4.980 -14.618 1.00 61.34 H new ATOM 0 HG3 GLN A 92 3.497 5.980 -14.299 1.00 61.34 H new ATOM 0 HE21 GLN A 92 5.499 5.034 -13.762 1.00 14.13 H new ATOM 0 HE22 GLN A 92 5.796 3.306 -13.981 1.00 14.13 H new ATOM 1486 N ASN A 93 0.430 5.344 -10.126 1.00 62.15 N ATOM 1487 CA ASN A 93 -0.166 4.655 -8.987 1.00 44.23 C ATOM 1488 C ASN A 93 -1.664 4.930 -8.909 1.00 33.42 C ATOM 1489 O ASN A 93 -2.465 4.015 -8.713 1.00 0.15 O ATOM 1490 CB ASN A 93 0.513 5.093 -7.688 1.00 2.40 C ATOM 1491 CG ASN A 93 1.859 4.424 -7.484 1.00 54.13 C ATOM 1492 OD1 ASN A 93 2.662 4.378 -8.540 1.00 43.02 O flip ATOM 1493 ND2 ASN A 93 2.171 3.954 -6.390 1.00 44.43 N flip ATOM 0 H ASN A 93 0.951 6.187 -9.884 1.00 62.15 H new ATOM 0 HA ASN A 93 -0.018 3.584 -9.123 1.00 44.23 H new ATOM 0 HB2 ASN A 93 0.646 6.175 -7.698 1.00 2.40 H new ATOM 0 HB3 ASN A 93 -0.137 4.859 -6.845 1.00 2.40 H new ATOM 0 HD21 ASN A 93 1.521 4.012 -5.606 1.00 44.43 H new ATOM 0 HD22 ASN A 93 3.079 3.506 -6.268 1.00 44.43 H new ATOM 1500 N LYS A 94 -2.037 6.195 -9.064 1.00 54.31 N ATOM 1501 CA LYS A 94 -3.440 6.592 -9.013 1.00 64.02 C ATOM 1502 C LYS A 94 -4.236 5.919 -10.127 1.00 11.43 C ATOM 1503 O LYS A 94 -5.351 5.448 -9.906 1.00 60.22 O ATOM 1504 CB LYS A 94 -3.565 8.113 -9.129 1.00 32.23 C ATOM 1505 CG LYS A 94 -4.991 8.618 -8.989 1.00 61.43 C ATOM 1506 CD LYS A 94 -5.027 10.080 -8.580 1.00 0.43 C ATOM 1507 CE LYS A 94 -6.451 10.557 -8.341 1.00 14.50 C ATOM 1508 NZ LYS A 94 -6.499 11.999 -7.972 1.00 41.53 N ATOM 0 H LYS A 94 -1.387 6.964 -9.226 1.00 54.31 H new ATOM 0 HA LYS A 94 -3.848 6.272 -8.054 1.00 64.02 H new ATOM 0 HB2 LYS A 94 -2.946 8.580 -8.363 1.00 32.23 H new ATOM 0 HB3 LYS A 94 -3.169 8.429 -10.094 1.00 32.23 H new ATOM 0 HG2 LYS A 94 -5.517 8.491 -9.935 1.00 61.43 H new ATOM 0 HG3 LYS A 94 -5.519 8.019 -8.247 1.00 61.43 H new ATOM 0 HD2 LYS A 94 -4.438 10.220 -7.673 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.564 10.688 -9.357 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -7.045 10.392 -9.240 1.00 14.50 H new ATOM 0 HE3 LYS A 94 -6.904 9.964 -7.547 1.00 14.50 H new ATOM 0 HZ1 LYS A 94 -7.487 12.285 -7.818 1.00 41.53 H new ATOM 0 HZ2 LYS A 94 -5.954 12.152 -7.100 1.00 41.53 H new ATOM 0 HZ3 LYS A 94 -6.090 12.568 -8.741 1.00 41.53 H new ATOM 1522 N GLU A 95 -3.655 5.878 -11.322 1.00 13.31 N ATOM 1523 CA GLU A 95 -4.312 5.262 -12.469 1.00 12.32 C ATOM 1524 C GLU A 95 -4.380 3.746 -12.308 1.00 1.44 C ATOM 1525 O GLU A 95 -5.367 3.114 -12.686 1.00 4.51 O ATOM 1526 CB GLU A 95 -3.571 5.616 -13.760 1.00 12.41 C ATOM 1527 CG GLU A 95 -3.748 7.064 -14.186 1.00 2.25 C ATOM 1528 CD GLU A 95 -5.124 7.340 -14.758 1.00 55.30 C ATOM 1529 OE1 GLU A 95 -5.789 6.379 -15.198 1.00 24.33 O ATOM 1530 OE2 GLU A 95 -5.538 8.519 -14.766 1.00 24.12 O ATOM 0 H GLU A 95 -2.732 6.264 -11.521 1.00 13.31 H new ATOM 0 HA GLU A 95 -5.329 5.650 -12.524 1.00 12.32 H new ATOM 0 HB2 GLU A 95 -2.508 5.413 -13.627 1.00 12.41 H new ATOM 0 HB3 GLU A 95 -3.922 4.965 -14.561 1.00 12.41 H new ATOM 0 HG2 GLU A 95 -3.578 7.714 -13.328 1.00 2.25 H new ATOM 0 HG3 GLU A 95 -2.992 7.315 -14.930 1.00 2.25 H new ATOM 1537 N TYR A 96 -3.324 3.170 -11.744 1.00 72.34 N ATOM 1538 CA TYR A 96 -3.261 1.728 -11.536 1.00 14.14 C ATOM 1539 C TYR A 96 -4.445 1.246 -10.702 1.00 2.31 C ATOM 1540 O TYR A 96 -5.176 0.342 -11.106 1.00 70.53 O ATOM 1541 CB TYR A 96 -1.950 1.348 -10.847 1.00 4.03 C ATOM 1542 CG TYR A 96 -1.753 -0.144 -10.699 1.00 53.12 C ATOM 1543 CD1 TYR A 96 -2.403 -0.854 -9.697 1.00 72.01 C ATOM 1544 CD2 TYR A 96 -0.917 -0.843 -11.561 1.00 35.32 C ATOM 1545 CE1 TYR A 96 -2.226 -2.217 -9.558 1.00 34.11 C ATOM 1546 CE2 TYR A 96 -0.736 -2.206 -11.430 1.00 61.40 C ATOM 1547 CZ TYR A 96 -1.392 -2.889 -10.427 1.00 53.20 C ATOM 1548 OH TYR A 96 -1.213 -4.246 -10.293 1.00 21.55 O ATOM 0 H TYR A 96 -2.501 3.679 -11.423 1.00 72.34 H new ATOM 0 HA TYR A 96 -3.305 1.243 -12.511 1.00 14.14 H new ATOM 0 HB2 TYR A 96 -1.117 1.761 -11.416 1.00 4.03 H new ATOM 0 HB3 TYR A 96 -1.921 1.809 -9.860 1.00 4.03 H new ATOM 0 HD1 TYR A 96 -3.058 -0.331 -9.015 1.00 72.01 H new ATOM 0 HD2 TYR A 96 -0.400 -0.312 -12.346 1.00 35.32 H new ATOM 0 HE1 TYR A 96 -2.738 -2.754 -8.773 1.00 34.11 H new ATOM 0 HE2 TYR A 96 -0.084 -2.735 -12.110 1.00 61.40 H new ATOM 0 HH TYR A 96 -0.596 -4.564 -10.985 1.00 21.55 H new ATOM 1558 N CYS A 97 -4.627 1.858 -9.537 1.00 21.22 N ATOM 1559 CA CYS A 97 -5.721 1.492 -8.644 1.00 53.43 C ATOM 1560 C CYS A 97 -7.071 1.726 -9.315 1.00 40.12 C ATOM 1561 O CYS A 97 -8.022 0.976 -9.096 1.00 53.24 O ATOM 1562 CB CYS A 97 -5.638 2.296 -7.346 1.00 23.34 C ATOM 1563 SG CYS A 97 -4.099 2.055 -6.427 1.00 12.24 S ATOM 0 H CYS A 97 -4.032 2.609 -9.189 1.00 21.22 H new ATOM 0 HA CYS A 97 -5.629 0.431 -8.412 1.00 53.43 H new ATOM 0 HB2 CYS A 97 -5.748 3.355 -7.579 1.00 23.34 H new ATOM 0 HB3 CYS A 97 -6.477 2.022 -6.707 1.00 23.34 H new ATOM 0 HG CYS A 97 -3.135 2.695 -7.019 1.00 12.24 H new ATOM 1569 N SER A 98 -7.147 2.772 -10.132 1.00 1.12 N ATOM 1570 CA SER A 98 -8.382 3.108 -10.831 1.00 2.45 C ATOM 1571 C SER A 98 -8.587 2.200 -12.039 1.00 21.11 C ATOM 1572 O SER A 98 -9.671 2.156 -12.621 1.00 61.11 O ATOM 1573 CB SER A 98 -8.358 4.572 -11.276 1.00 72.45 C ATOM 1574 OG SER A 98 -9.648 5.005 -11.672 1.00 50.11 O ATOM 0 H SER A 98 -6.368 3.401 -10.326 1.00 1.12 H new ATOM 0 HA SER A 98 -9.213 2.959 -10.142 1.00 2.45 H new ATOM 0 HB2 SER A 98 -7.995 5.198 -10.460 1.00 72.45 H new ATOM 0 HB3 SER A 98 -7.660 4.692 -12.105 1.00 72.45 H new ATOM 0 HG SER A 98 -10.095 4.289 -12.170 1.00 50.11 H new ATOM 1580 N LYS A 99 -7.537 1.475 -12.411 1.00 51.43 N ATOM 1581 CA LYS A 99 -7.599 0.566 -13.549 1.00 74.12 C ATOM 1582 C LYS A 99 -8.658 -0.510 -13.329 1.00 14.41 C ATOM 1583 O LYS A 99 -9.138 -1.125 -14.281 1.00 1.34 O ATOM 1584 CB LYS A 99 -6.235 -0.087 -13.782 1.00 0.11 C ATOM 1585 CG LYS A 99 -6.085 -0.708 -15.160 1.00 43.50 C ATOM 1586 CD LYS A 99 -4.670 -1.209 -15.395 1.00 4.15 C ATOM 1587 CE LYS A 99 -4.354 -2.416 -14.524 1.00 14.42 C ATOM 1588 NZ LYS A 99 -4.177 -3.653 -15.334 1.00 1.34 N ATOM 0 H LYS A 99 -6.632 1.500 -11.940 1.00 51.43 H new ATOM 0 HA LYS A 99 -7.873 1.146 -14.430 1.00 74.12 H new ATOM 0 HB2 LYS A 99 -5.455 0.661 -13.643 1.00 0.11 H new ATOM 0 HB3 LYS A 99 -6.076 -0.857 -13.027 1.00 0.11 H new ATOM 0 HG2 LYS A 99 -6.787 -1.535 -15.266 1.00 43.50 H new ATOM 0 HG3 LYS A 99 -6.343 0.028 -15.922 1.00 43.50 H new ATOM 0 HD2 LYS A 99 -4.547 -1.474 -16.445 1.00 4.15 H new ATOM 0 HD3 LYS A 99 -3.960 -0.410 -15.183 1.00 4.15 H new ATOM 0 HE2 LYS A 99 -3.446 -2.223 -13.952 1.00 14.42 H new ATOM 0 HE3 LYS A 99 -5.159 -2.565 -13.804 1.00 14.42 H new ATOM 0 HZ1 LYS A 99 -3.963 -4.453 -14.704 1.00 1.34 H new ATOM 0 HZ2 LYS A 99 -5.052 -3.851 -15.861 1.00 1.34 H new ATOM 0 HZ3 LYS A 99 -3.392 -3.520 -16.004 1.00 1.34 H new ATOM 1602 N GLU A 100 -9.019 -0.729 -12.068 1.00 70.33 N ATOM 1603 CA GLU A 100 -10.022 -1.730 -11.725 1.00 31.41 C ATOM 1604 C GLU A 100 -11.418 -1.261 -12.124 1.00 71.25 C ATOM 1605 O GLU A 100 -12.343 -2.063 -12.249 1.00 25.31 O ATOM 1606 CB GLU A 100 -9.983 -2.030 -10.225 1.00 22.40 C ATOM 1607 CG GLU A 100 -8.609 -2.440 -9.722 1.00 62.41 C ATOM 1608 CD GLU A 100 -8.460 -2.266 -8.223 1.00 52.21 C ATOM 1609 OE1 GLU A 100 -9.316 -2.785 -7.477 1.00 13.10 O ATOM 1610 OE2 GLU A 100 -7.487 -1.610 -7.797 1.00 2.34 O ATOM 0 H GLU A 100 -8.632 -0.227 -11.269 1.00 70.33 H new ATOM 0 HA GLU A 100 -9.792 -2.641 -12.277 1.00 31.41 H new ATOM 0 HB2 GLU A 100 -10.312 -1.147 -9.678 1.00 22.40 H new ATOM 0 HB3 GLU A 100 -10.694 -2.826 -10.004 1.00 22.40 H new ATOM 0 HG2 GLU A 100 -8.427 -3.483 -9.983 1.00 62.41 H new ATOM 0 HG3 GLU A 100 -7.848 -1.847 -10.230 1.00 62.41 H new ATOM 1617 N GLY A 101 -11.563 0.046 -12.324 1.00 24.53 N ATOM 1618 CA GLY A 101 -12.848 0.600 -12.706 1.00 70.11 C ATOM 1619 C GLY A 101 -13.747 0.857 -11.513 1.00 22.21 C ATOM 1620 O GLY A 101 -14.833 1.417 -11.655 1.00 21.13 O ATOM 0 H GLY A 101 -10.813 0.730 -12.228 1.00 24.53 H new ATOM 0 HA2 GLY A 101 -12.691 1.533 -13.247 1.00 70.11 H new ATOM 0 HA3 GLY A 101 -13.346 -0.086 -13.391 1.00 70.11 H new ATOM 1624 N ASN A 102 -13.294 0.445 -10.333 1.00 61.42 N ATOM 1625 CA ASN A 102 -14.066 0.631 -9.110 1.00 53.33 C ATOM 1626 C ASN A 102 -13.185 1.170 -7.987 1.00 52.55 C ATOM 1627 O ASN A 102 -12.167 0.571 -7.640 1.00 43.12 O ATOM 1628 CB ASN A 102 -14.708 -0.690 -8.681 1.00 4.22 C ATOM 1629 CG ASN A 102 -16.217 -0.676 -8.832 1.00 5.12 C ATOM 1630 OD1 ASN A 102 -16.768 0.116 -9.596 1.00 43.05 O ATOM 1631 ND2 ASN A 102 -16.892 -1.555 -8.101 1.00 12.11 N ATOM 0 H ASN A 102 -12.396 -0.020 -10.198 1.00 61.42 H new ATOM 0 HA ASN A 102 -14.851 1.359 -9.313 1.00 53.33 H new ATOM 0 HB2 ASN A 102 -14.294 -1.503 -9.278 1.00 4.22 H new ATOM 0 HB3 ASN A 102 -14.452 -0.895 -7.642 1.00 4.22 H new ATOM 0 HD21 ASN A 102 -17.910 -1.593 -8.160 1.00 12.11 H new ATOM 0 HD22 ASN A 102 -16.393 -2.193 -7.481 1.00 12.11 H new ATOM 1638 N LEU A 103 -13.584 2.305 -7.423 1.00 72.10 N ATOM 1639 CA LEU A 103 -12.832 2.926 -6.338 1.00 62.42 C ATOM 1640 C LEU A 103 -13.406 2.530 -4.981 1.00 65.25 C ATOM 1641 O LEU A 103 -14.621 2.543 -4.782 1.00 21.43 O ATOM 1642 CB LEU A 103 -12.847 4.448 -6.487 1.00 1.04 C ATOM 1643 CG LEU A 103 -11.491 5.113 -6.725 1.00 24.33 C ATOM 1644 CD1 LEU A 103 -10.643 5.062 -5.463 1.00 43.43 C ATOM 1645 CD2 LEU A 103 -10.766 4.445 -7.884 1.00 25.20 C ATOM 0 H LEU A 103 -14.424 2.814 -7.699 1.00 72.10 H new ATOM 0 HA LEU A 103 -11.803 2.572 -6.393 1.00 62.42 H new ATOM 0 HB2 LEU A 103 -13.506 4.705 -7.316 1.00 1.04 H new ATOM 0 HB3 LEU A 103 -13.286 4.877 -5.586 1.00 1.04 H new ATOM 0 HG LEU A 103 -11.660 6.159 -6.982 1.00 24.33 H new ATOM 0 HD11 LEU A 103 -9.682 5.540 -5.651 1.00 43.43 H new ATOM 0 HD12 LEU A 103 -11.157 5.586 -4.658 1.00 43.43 H new ATOM 0 HD13 LEU A 103 -10.482 4.023 -5.175 1.00 43.43 H new ATOM 0 HD21 LEU A 103 -9.803 4.931 -8.039 1.00 25.20 H new ATOM 0 HD22 LEU A 103 -10.608 3.391 -7.655 1.00 25.20 H new ATOM 0 HD23 LEU A 103 -11.367 4.534 -8.789 1.00 25.20 H new ATOM 1657 N LEU A 104 -12.524 2.180 -4.051 1.00 42.44 N ATOM 1658 CA LEU A 104 -12.942 1.783 -2.711 1.00 60.05 C ATOM 1659 C LEU A 104 -12.707 2.910 -1.711 1.00 12.10 C ATOM 1660 O LEU A 104 -13.422 3.029 -0.716 1.00 62.12 O ATOM 1661 CB LEU A 104 -12.185 0.529 -2.271 1.00 34.32 C ATOM 1662 CG LEU A 104 -12.623 -0.087 -0.941 1.00 41.31 C ATOM 1663 CD1 LEU A 104 -14.126 -0.318 -0.929 1.00 10.21 C ATOM 1664 CD2 LEU A 104 -11.879 -1.389 -0.686 1.00 31.51 C ATOM 0 H LEU A 104 -11.515 2.163 -4.200 1.00 42.44 H new ATOM 0 HA LEU A 104 -14.010 1.565 -2.739 1.00 60.05 H new ATOM 0 HB2 LEU A 104 -12.289 -0.226 -3.050 1.00 34.32 H new ATOM 0 HB3 LEU A 104 -11.125 0.774 -2.204 1.00 34.32 H new ATOM 0 HG LEU A 104 -12.377 0.611 -0.141 1.00 41.31 H new ATOM 0 HD11 LEU A 104 -14.419 -0.757 0.025 1.00 10.21 H new ATOM 0 HD12 LEU A 104 -14.641 0.633 -1.065 1.00 10.21 H new ATOM 0 HD13 LEU A 104 -14.396 -0.996 -1.738 1.00 10.21 H new ATOM 0 HD21 LEU A 104 -12.203 -1.813 0.264 1.00 31.51 H new ATOM 0 HD22 LEU A 104 -12.093 -2.094 -1.490 1.00 31.51 H new ATOM 0 HD23 LEU A 104 -10.807 -1.194 -0.650 1.00 31.51 H new ATOM 1676 N MET A 105 -11.702 3.736 -1.983 1.00 55.32 N ATOM 1677 CA MET A 105 -11.376 4.856 -1.108 1.00 51.42 C ATOM 1678 C MET A 105 -10.544 5.899 -1.847 1.00 44.15 C ATOM 1679 O MET A 105 -9.618 5.559 -2.583 1.00 25.43 O ATOM 1680 CB MET A 105 -10.618 4.363 0.126 1.00 54.21 C ATOM 1681 CG MET A 105 -9.822 5.453 0.825 1.00 22.45 C ATOM 1682 SD MET A 105 -9.818 5.267 2.619 1.00 42.20 S ATOM 1683 CE MET A 105 -8.189 4.571 2.884 1.00 42.42 C ATOM 0 H MET A 105 -11.100 3.651 -2.802 1.00 55.32 H new ATOM 0 HA MET A 105 -12.310 5.320 -0.791 1.00 51.42 H new ATOM 0 HB2 MET A 105 -11.329 3.934 0.832 1.00 54.21 H new ATOM 0 HB3 MET A 105 -9.940 3.562 -0.170 1.00 54.21 H new ATOM 0 HG2 MET A 105 -8.795 5.439 0.460 1.00 22.45 H new ATOM 0 HG3 MET A 105 -10.239 6.426 0.565 1.00 22.45 H new ATOM 0 HE1 MET A 105 -7.900 4.708 3.926 1.00 42.42 H new ATOM 0 HE2 MET A 105 -8.205 3.507 2.649 1.00 42.42 H new ATOM 0 HE3 MET A 105 -7.469 5.074 2.238 1.00 42.42 H new ATOM 1693 N GLU A 106 -10.880 7.169 -1.647 1.00 53.41 N ATOM 1694 CA GLU A 106 -10.163 8.261 -2.296 1.00 73.45 C ATOM 1695 C GLU A 106 -9.791 9.343 -1.288 1.00 12.52 C ATOM 1696 O GLU A 106 -10.645 10.110 -0.841 1.00 32.04 O ATOM 1697 CB GLU A 106 -11.013 8.863 -3.418 1.00 21.34 C ATOM 1698 CG GLU A 106 -10.195 9.540 -4.504 1.00 50.41 C ATOM 1699 CD GLU A 106 -10.342 11.050 -4.489 1.00 63.41 C ATOM 1700 OE1 GLU A 106 -9.638 11.705 -3.693 1.00 2.44 O ATOM 1701 OE2 GLU A 106 -11.160 11.575 -5.273 1.00 23.43 O ATOM 0 H GLU A 106 -11.644 7.468 -1.041 1.00 53.41 H new ATOM 0 HA GLU A 106 -9.245 7.856 -2.723 1.00 73.45 H new ATOM 0 HB2 GLU A 106 -11.617 8.075 -3.868 1.00 21.34 H new ATOM 0 HB3 GLU A 106 -11.704 9.589 -2.989 1.00 21.34 H new ATOM 0 HG2 GLU A 106 -9.144 9.280 -4.378 1.00 50.41 H new ATOM 0 HG3 GLU A 106 -10.503 9.158 -5.477 1.00 50.41 H new ATOM 1708 N CYS A 107 -8.512 9.399 -0.934 1.00 11.40 N ATOM 1709 CA CYS A 107 -8.026 10.387 0.023 1.00 0.11 C ATOM 1710 C CYS A 107 -6.561 10.721 -0.237 1.00 24.21 C ATOM 1711 O CYS A 107 -5.929 10.142 -1.119 1.00 65.33 O ATOM 1712 CB CYS A 107 -8.198 9.871 1.452 1.00 32.23 C ATOM 1713 SG CYS A 107 -9.841 10.163 2.150 1.00 45.21 S ATOM 0 H CYS A 107 -7.793 8.772 -1.295 1.00 11.40 H new ATOM 0 HA CYS A 107 -8.614 11.296 -0.100 1.00 0.11 H new ATOM 0 HB2 CYS A 107 -7.994 8.800 1.467 1.00 32.23 H new ATOM 0 HB3 CYS A 107 -7.454 10.347 2.091 1.00 32.23 H new ATOM 0 HG CYS A 107 -10.719 10.200 1.192 1.00 45.21 H new ATOM 1719 N GLY A 108 -6.026 11.661 0.537 1.00 35.33 N ATOM 1720 CA GLY A 108 -4.640 12.057 0.374 1.00 60.12 C ATOM 1721 C GLY A 108 -4.411 12.856 -0.894 1.00 0.14 C ATOM 1722 O GLY A 108 -5.348 13.122 -1.646 1.00 30.42 O ATOM 0 H GLY A 108 -6.529 12.155 1.274 1.00 35.33 H new ATOM 0 HA2 GLY A 108 -4.331 12.650 1.235 1.00 60.12 H new ATOM 0 HA3 GLY A 108 -4.011 11.167 0.358 1.00 60.12 H new