USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 370 ASN : amide:sc= -0.56 K(o=-0.56,f=-0.003) USER MOD Set 1.2: A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 340 TYR OH : rot 30:sc= -0.96 USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 346 SER OG : rot -40:sc= 0.576 USER MOD Single : A 348 SER OG : rot 180:sc= 0.018 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.704 K(o=0.7,f=-0.18) USER MOD Single : A 359 LYS NZ :NH3+ -169:sc=-0.000111 (180deg=-0.111) USER MOD Single : A 361 SER OG : rot 91:sc= 1.3 USER MOD Single : A 362 LYS NZ :NH3+ -160:sc= 0.425 (180deg=-0.374) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.06) USER MOD Single : A 381 ASN : amide:sc= -0.739 X(o=-0.74,f=-0.9) USER MOD Single : A 387 TYR OH : rot -96:sc= 0.0827 USER MOD Single : A 389 LYS NZ :NH3+ -163:sc= -0.0674 (180deg=-0.34) USER MOD Single : A 390 MET CE :methyl 143:sc= -1.84 (180deg=-3.79!) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HD1:sc= 0.038 K(o=0.038,f=-8.1!) USER MOD Single : A 397 TYR OH : rot 38:sc= -3.25! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.8) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -0.187 K(o=-0.19,f=-3.4!) USER MOD Single : A 416 MET CE :methyl -141:sc= -0.141 (180deg=-0.87) USER MOD Single : A 417 LYS NZ :NH3+ 175:sc= 0.957 (180deg=0.914) USER MOD Single : A 418 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 423 MET CE :methyl -112:sc= -1.43 (180deg=-1.7) USER MOD Single : A 424 SER OG : rot 106:sc= 0.555 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 432 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 435 SER OG : rot 58:sc= 0.166 USER MOD Single : A 436 GLN : amide:sc= -0.0463 K(o=-0.046,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.565 7.764 -5.745 1.00 1.08 N ATOM 81 CA LEU A 336 -1.211 7.188 -4.447 1.00 0.60 C ATOM 82 C LEU A 336 -1.415 5.671 -4.398 1.00 0.50 C ATOM 83 O LEU A 336 -1.818 5.046 -5.384 1.00 0.62 O ATOM 84 CB LEU A 336 -1.995 7.864 -3.313 1.00 0.36 C ATOM 85 CG LEU A 336 -1.763 9.372 -3.162 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.444 9.900 -1.913 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.284 9.691 -3.112 1.00 0.39 C ATOM 0 HA LEU A 336 -0.147 7.376 -4.307 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.059 7.692 -3.477 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.734 7.377 -2.373 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.197 9.861 -4.034 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.266 10.972 -1.827 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.516 9.715 -1.977 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.040 9.393 -1.037 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.147 10.767 -3.005 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.170 9.181 -2.262 1.00 0.39 H new ATOM 0 HD23 LEU A 336 0.192 9.355 -4.033 1.00 0.39 H new ATOM 99 N LEU A 337 -1.125 5.090 -3.242 1.00 0.39 N ATOM 100 CA LEU A 337 -1.225 3.649 -3.037 1.00 0.30 C ATOM 101 C LEU A 337 -2.677 3.176 -3.047 1.00 0.26 C ATOM 102 O LEU A 337 -3.009 2.198 -3.726 1.00 0.25 O ATOM 103 CB LEU A 337 -0.535 3.285 -1.712 1.00 0.32 C ATOM 104 CG LEU A 337 -1.023 2.021 -0.994 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.673 0.760 -1.767 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.421 1.960 0.398 1.00 0.39 C ATOM 0 H LEU A 337 -0.813 5.604 -2.418 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.725 3.140 -3.861 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.532 3.173 -1.906 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.648 4.127 -1.029 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.110 2.073 -0.925 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.036 -0.112 -1.224 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.140 0.795 -2.751 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.409 0.692 -1.881 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.769 1.061 0.906 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.666 1.936 0.324 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.727 2.839 0.966 1.00 0.39 H new ATOM 118 N TRP A 338 -3.543 3.884 -2.323 1.00 0.25 N ATOM 119 CA TRP A 338 -4.919 3.434 -2.120 1.00 0.24 C ATOM 120 C TRP A 338 -5.709 3.306 -3.425 1.00 0.24 C ATOM 121 O TRP A 338 -6.643 2.514 -3.501 1.00 0.24 O ATOM 122 CB TRP A 338 -5.666 4.317 -1.104 1.00 0.24 C ATOM 123 CG TRP A 338 -5.423 5.792 -1.236 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.763 6.586 -0.346 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.844 6.652 -2.298 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.743 7.879 -0.790 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.396 7.945 -1.991 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.547 6.454 -3.481 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.636 9.034 -2.823 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.780 7.533 -4.308 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.324 8.808 -3.978 1.00 0.28 C ATOM 0 H TRP A 338 -3.317 4.769 -1.869 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.843 2.430 -1.703 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.735 4.131 -1.203 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.381 4.007 -0.099 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.320 6.243 0.577 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.312 8.666 -0.305 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -6.905 5.471 -3.748 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.290 10.023 -2.563 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.326 7.387 -5.228 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.519 9.631 -4.649 1.00 0.28 H new ATOM 142 N ASP A 339 -5.339 4.062 -4.452 1.00 0.25 N ATOM 143 CA ASP A 339 -6.060 3.996 -5.722 1.00 0.27 C ATOM 144 C ASP A 339 -5.693 2.727 -6.461 1.00 0.26 C ATOM 145 O ASP A 339 -6.548 2.056 -7.037 1.00 0.33 O ATOM 146 CB ASP A 339 -5.750 5.206 -6.604 1.00 0.36 C ATOM 147 CG ASP A 339 -6.576 5.225 -7.879 1.00 1.00 C ATOM 148 OD1 ASP A 339 -6.131 4.644 -8.893 1.00 1.19 O ATOM 149 OD2 ASP A 339 -7.670 5.832 -7.874 1.00 1.80 O ATOM 0 H ASP A 339 -4.558 4.718 -4.435 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.127 3.998 -5.499 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.937 6.120 -6.040 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.691 5.202 -6.861 1.00 0.36 H new ATOM 154 N TYR A 340 -4.413 2.396 -6.416 1.00 0.22 N ATOM 155 CA TYR A 340 -3.906 1.215 -7.083 1.00 0.20 C ATOM 156 C TYR A 340 -4.456 -0.050 -6.434 1.00 0.17 C ATOM 157 O TYR A 340 -4.938 -0.953 -7.117 1.00 0.17 O ATOM 158 CB TYR A 340 -2.380 1.204 -7.049 1.00 0.21 C ATOM 159 CG TYR A 340 -1.795 -0.011 -7.713 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.636 -0.059 -9.089 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.426 -1.116 -6.963 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.126 -1.181 -9.706 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.910 -2.242 -7.571 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.763 -2.270 -8.946 1.00 0.24 C ATOM 165 OH TYR A 340 -0.267 -3.396 -9.564 1.00 0.28 O ATOM 0 H TYR A 340 -3.704 2.935 -5.920 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.236 1.239 -8.122 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -2.003 2.100 -7.542 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.043 1.245 -6.013 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.916 0.796 -9.687 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.544 -1.096 -5.890 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.012 -1.206 -10.780 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.623 -3.097 -6.977 1.00 0.18 H new ATOM 0 HH TYR A 340 0.200 -3.139 -10.387 1.00 0.28 H new ATOM 175 N VAL A 341 -4.383 -0.113 -5.111 1.00 0.17 N ATOM 176 CA VAL A 341 -4.892 -1.265 -4.375 1.00 0.15 C ATOM 177 C VAL A 341 -6.399 -1.413 -4.580 1.00 0.15 C ATOM 178 O VAL A 341 -6.913 -2.520 -4.748 1.00 0.15 O ATOM 179 CB VAL A 341 -4.550 -1.170 -2.867 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.937 0.180 -2.293 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.232 -2.279 -2.084 1.00 0.15 C ATOM 0 H VAL A 341 -3.978 0.617 -4.526 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.401 -2.154 -4.770 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.470 -1.285 -2.774 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.683 0.211 -1.234 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.397 0.967 -2.819 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.010 0.333 -2.413 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -4.976 -2.190 -1.028 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.312 -2.197 -2.203 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.898 -3.247 -2.458 1.00 0.15 H new ATOM 191 N TYR A 342 -7.091 -0.286 -4.608 1.00 0.17 N ATOM 192 CA TYR A 342 -8.524 -0.264 -4.864 1.00 0.17 C ATOM 193 C TYR A 342 -8.812 -0.715 -6.299 1.00 0.17 C ATOM 194 O TYR A 342 -9.853 -1.308 -6.585 1.00 0.18 O ATOM 195 CB TYR A 342 -9.064 1.146 -4.612 1.00 0.20 C ATOM 196 CG TYR A 342 -10.567 1.248 -4.558 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.290 0.623 -3.553 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.261 1.989 -5.505 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.663 0.728 -3.494 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.635 2.103 -5.452 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.332 1.470 -4.444 1.00 0.71 C ATOM 202 OH TYR A 342 -14.701 1.583 -4.381 1.00 0.92 O ATOM 0 H TYR A 342 -6.680 0.635 -4.455 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.026 -0.957 -4.188 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.655 1.513 -3.671 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.697 1.806 -5.398 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.769 0.045 -2.805 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.717 2.484 -6.296 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.212 0.232 -2.708 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.161 2.684 -6.195 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.018 2.140 -5.122 1.00 0.92 H new ATOM 212 N GLN A 343 -7.876 -0.424 -7.196 1.00 0.18 N ATOM 213 CA GLN A 343 -7.975 -0.838 -8.592 1.00 0.19 C ATOM 214 C GLN A 343 -7.802 -2.352 -8.726 1.00 0.18 C ATOM 215 O GLN A 343 -8.422 -2.981 -9.584 1.00 0.23 O ATOM 216 CB GLN A 343 -6.915 -0.111 -9.426 1.00 0.26 C ATOM 217 CG GLN A 343 -6.901 -0.499 -10.894 1.00 0.71 C ATOM 218 CD GLN A 343 -5.780 0.176 -11.659 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.372 1.292 -11.338 1.00 2.07 O ATOM 220 NE2 GLN A 343 -5.273 -0.500 -12.676 1.00 2.22 N ATOM 0 H GLN A 343 -7.031 0.103 -6.978 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.966 -0.575 -8.961 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.082 0.963 -9.348 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.932 -0.313 -8.999 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.796 -1.581 -10.980 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.857 -0.234 -11.346 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -5.640 -1.423 -12.909 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -4.515 -0.099 -13.228 1.00 2.22 H new ATOM 229 N LEU A 344 -6.976 -2.936 -7.861 1.00 0.16 N ATOM 230 CA LEU A 344 -6.727 -4.372 -7.890 1.00 0.15 C ATOM 231 C LEU A 344 -7.988 -5.103 -7.477 1.00 0.17 C ATOM 232 O LEU A 344 -8.316 -6.165 -8.001 1.00 0.24 O ATOM 233 CB LEU A 344 -5.585 -4.745 -6.946 1.00 0.15 C ATOM 234 CG LEU A 344 -4.248 -4.060 -7.218 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.228 -4.489 -6.181 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.748 -4.379 -8.617 1.00 0.19 C ATOM 0 H LEU A 344 -6.468 -2.435 -7.132 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.443 -4.659 -8.902 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.891 -4.511 -5.926 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.436 -5.824 -6.995 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.392 -2.982 -7.151 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.276 -3.996 -6.381 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.579 -4.210 -5.188 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.094 -5.570 -6.228 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.794 -3.879 -8.785 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.616 -5.456 -8.719 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.475 -4.031 -9.351 1.00 0.19 H new ATOM 248 N LEU A 345 -8.699 -4.493 -6.540 1.00 0.18 N ATOM 249 CA LEU A 345 -9.952 -5.023 -6.041 1.00 0.20 C ATOM 250 C LEU A 345 -11.015 -5.039 -7.132 1.00 0.25 C ATOM 251 O LEU A 345 -11.999 -5.778 -7.047 1.00 0.36 O ATOM 252 CB LEU A 345 -10.437 -4.172 -4.869 1.00 0.17 C ATOM 253 CG LEU A 345 -9.545 -4.216 -3.635 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.872 -3.080 -2.681 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.691 -5.551 -2.932 1.00 0.15 C ATOM 0 H LEU A 345 -8.419 -3.614 -6.105 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.783 -6.048 -5.712 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.523 -3.137 -5.201 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.438 -4.501 -4.589 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.511 -4.096 -3.960 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.219 -3.137 -1.810 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.720 -2.126 -3.186 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.911 -3.161 -2.362 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.049 -5.571 -2.052 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.728 -5.690 -2.628 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.401 -6.353 -3.611 1.00 0.15 H new ATOM 267 N SER A 346 -10.808 -4.232 -8.161 1.00 0.28 N ATOM 268 CA SER A 346 -11.800 -4.054 -9.203 1.00 0.35 C ATOM 269 C SER A 346 -11.595 -5.046 -10.349 1.00 0.36 C ATOM 270 O SER A 346 -12.334 -5.024 -11.334 1.00 0.54 O ATOM 271 CB SER A 346 -11.753 -2.614 -9.717 1.00 0.46 C ATOM 272 OG SER A 346 -12.770 -2.367 -10.675 1.00 1.06 O ATOM 0 H SER A 346 -9.956 -3.688 -8.295 1.00 0.28 H new ATOM 0 HA SER A 346 -12.784 -4.251 -8.778 1.00 0.35 H new ATOM 0 HB2 SER A 346 -11.866 -1.925 -8.880 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.778 -2.418 -10.162 1.00 0.46 H new ATOM 0 HG SER A 346 -12.859 -3.144 -11.265 1.00 1.06 H new ATOM 278 N ASP A 347 -10.613 -5.931 -10.225 1.00 0.32 N ATOM 279 CA ASP A 347 -10.343 -6.892 -11.289 1.00 0.34 C ATOM 280 C ASP A 347 -10.141 -8.292 -10.725 1.00 0.34 C ATOM 281 O ASP A 347 -9.566 -8.463 -9.650 1.00 0.43 O ATOM 282 CB ASP A 347 -9.113 -6.478 -12.094 1.00 0.41 C ATOM 283 CG ASP A 347 -9.259 -6.836 -13.558 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.321 -8.044 -13.881 1.00 0.99 O ATOM 285 OD2 ASP A 347 -9.286 -5.914 -14.396 1.00 1.18 O ATOM 0 H ASP A 347 -10.000 -6.004 -9.413 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.211 -6.904 -11.949 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.957 -5.404 -11.995 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.229 -6.967 -11.686 1.00 0.41 H new ATOM 290 N SER A 348 -10.611 -9.290 -11.466 1.00 0.40 N ATOM 291 CA SER A 348 -10.564 -10.676 -11.033 1.00 0.43 C ATOM 292 C SER A 348 -9.153 -11.256 -11.134 1.00 0.35 C ATOM 293 O SER A 348 -8.871 -12.317 -10.579 1.00 0.40 O ATOM 294 CB SER A 348 -11.539 -11.493 -11.875 1.00 0.59 C ATOM 295 OG SER A 348 -11.328 -11.268 -13.262 1.00 0.79 O ATOM 0 H SER A 348 -11.035 -9.157 -12.384 1.00 0.40 H new ATOM 0 HA SER A 348 -10.852 -10.721 -9.983 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.417 -12.553 -11.652 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.563 -11.228 -11.612 1.00 0.59 H new ATOM 0 HG SER A 348 -11.964 -11.804 -13.781 1.00 0.79 H new ATOM 301 N ARG A 349 -8.277 -10.562 -11.855 1.00 0.34 N ATOM 302 CA ARG A 349 -6.893 -10.983 -12.007 1.00 0.37 C ATOM 303 C ARG A 349 -6.239 -11.202 -10.654 1.00 0.31 C ATOM 304 O ARG A 349 -5.653 -12.250 -10.381 1.00 0.42 O ATOM 305 CB ARG A 349 -6.110 -9.921 -12.743 1.00 0.45 C ATOM 306 CG ARG A 349 -6.774 -9.447 -14.007 1.00 0.71 C ATOM 307 CD ARG A 349 -5.846 -8.565 -14.790 1.00 1.07 C ATOM 308 NE ARG A 349 -6.483 -8.001 -15.977 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.821 -7.387 -16.953 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.496 -7.302 -16.913 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.486 -6.853 -17.965 1.00 3.43 N ATOM 0 H ARG A 349 -8.507 -9.698 -12.346 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.890 -11.918 -12.567 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.959 -9.069 -12.081 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.123 -10.314 -12.987 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.069 -10.304 -14.613 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.685 -8.901 -13.763 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.493 -7.755 -14.151 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.970 -9.140 -15.090 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.496 -8.083 -16.062 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -3.982 -7.709 -16.131 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -3.992 -6.830 -17.664 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.504 -6.913 -17.995 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -5.981 -6.381 -18.715 1.00 3.43 H new ATOM 325 N TYR A 350 -6.363 -10.194 -9.812 1.00 0.26 N ATOM 326 CA TYR A 350 -5.633 -10.135 -8.561 1.00 0.30 C ATOM 327 C TYR A 350 -6.394 -10.755 -7.396 1.00 0.24 C ATOM 328 O TYR A 350 -6.087 -10.452 -6.254 1.00 0.25 O ATOM 329 CB TYR A 350 -5.328 -8.675 -8.241 1.00 0.40 C ATOM 330 CG TYR A 350 -4.907 -7.898 -9.456 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.643 -8.062 -9.989 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.786 -7.028 -10.093 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.254 -7.380 -11.116 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.405 -6.343 -11.230 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.136 -6.521 -11.738 1.00 0.63 C ATOM 336 OH TYR A 350 -3.749 -5.849 -12.874 1.00 0.72 O ATOM 0 H TYR A 350 -6.973 -9.393 -9.976 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.719 -10.715 -8.688 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.211 -8.210 -7.804 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.538 -8.628 -7.491 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.949 -8.738 -9.511 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.779 -6.886 -9.693 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.259 -7.516 -11.514 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.097 -5.672 -11.718 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.487 -5.286 -13.188 1.00 0.72 H new ATOM 346 N GLU A 351 -7.360 -11.629 -7.664 1.00 0.22 N ATOM 347 CA GLU A 351 -8.163 -12.218 -6.585 1.00 0.23 C ATOM 348 C GLU A 351 -7.297 -13.041 -5.622 1.00 0.21 C ATOM 349 O GLU A 351 -7.639 -13.203 -4.450 1.00 0.25 O ATOM 350 CB GLU A 351 -9.289 -13.092 -7.144 1.00 0.31 C ATOM 351 CG GLU A 351 -8.807 -14.311 -7.912 1.00 0.36 C ATOM 352 CD GLU A 351 -9.940 -15.249 -8.267 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.687 -14.957 -9.224 1.00 1.22 O ATOM 354 OE2 GLU A 351 -10.095 -16.283 -7.583 1.00 1.45 O ATOM 0 H GLU A 351 -7.607 -11.944 -8.602 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.604 -11.390 -6.031 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.921 -13.422 -6.320 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.913 -12.486 -7.801 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.306 -13.988 -8.824 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -8.069 -14.846 -7.315 1.00 0.36 H new ATOM 361 N ASN A 352 -6.179 -13.555 -6.126 1.00 0.22 N ATOM 362 CA ASN A 352 -5.257 -14.341 -5.317 1.00 0.24 C ATOM 363 C ASN A 352 -4.223 -13.424 -4.669 1.00 0.19 C ATOM 364 O ASN A 352 -3.357 -13.866 -3.918 1.00 0.21 O ATOM 365 CB ASN A 352 -4.564 -15.397 -6.175 1.00 0.32 C ATOM 366 CG ASN A 352 -4.177 -16.649 -5.403 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.241 -17.756 -5.934 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.753 -16.492 -4.163 1.00 1.06 N ATOM 0 H ASN A 352 -5.890 -13.439 -7.097 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.820 -14.848 -4.534 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.224 -15.676 -6.997 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.668 -14.962 -6.619 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.466 -17.303 -3.616 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.712 -15.559 -3.752 1.00 1.06 H new ATOM 375 N PHE A 353 -4.318 -12.142 -4.979 1.00 0.16 N ATOM 376 CA PHE A 353 -3.449 -11.137 -4.386 1.00 0.14 C ATOM 377 C PHE A 353 -4.239 -10.322 -3.377 1.00 0.12 C ATOM 378 O PHE A 353 -3.773 -10.045 -2.274 1.00 0.11 O ATOM 379 CB PHE A 353 -2.875 -10.203 -5.457 1.00 0.16 C ATOM 380 CG PHE A 353 -1.961 -10.873 -6.444 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.474 -11.607 -7.501 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.587 -10.758 -6.317 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.635 -12.216 -8.411 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.259 -11.363 -7.226 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.266 -12.093 -8.274 1.00 0.29 C ATOM 0 H PHE A 353 -4.995 -11.769 -5.645 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.620 -11.645 -3.893 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.701 -9.743 -6.000 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.330 -9.398 -4.964 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.544 -11.704 -7.614 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.172 -10.189 -5.498 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -2.048 -12.788 -9.229 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.329 -11.265 -7.117 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.393 -12.567 -8.986 1.00 0.29 H new ATOM 395 N ILE A 354 -5.444 -9.943 -3.774 1.00 0.11 N ATOM 396 CA ILE A 354 -6.329 -9.156 -2.943 1.00 0.11 C ATOM 397 C ILE A 354 -7.777 -9.344 -3.403 1.00 0.12 C ATOM 398 O ILE A 354 -8.040 -9.459 -4.599 1.00 0.16 O ATOM 399 CB ILE A 354 -5.937 -7.668 -2.998 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.710 -6.881 -1.952 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.167 -7.091 -4.394 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.184 -5.484 -1.757 1.00 0.12 C ATOM 0 H ILE A 354 -5.833 -10.176 -4.687 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.239 -9.496 -1.911 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.873 -7.585 -2.777 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.759 -6.830 -2.245 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.670 -7.414 -1.002 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.882 -6.039 -4.404 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.563 -7.638 -5.118 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.221 -7.184 -4.657 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.778 -4.974 -0.998 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.144 -5.529 -1.434 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.249 -4.936 -2.697 1.00 0.12 H new ATOM 414 N ARG A 355 -8.715 -9.401 -2.470 1.00 0.12 N ATOM 415 CA ARG A 355 -10.114 -9.580 -2.832 1.00 0.14 C ATOM 416 C ARG A 355 -11.040 -9.014 -1.767 1.00 0.14 C ATOM 417 O ARG A 355 -10.685 -8.934 -0.588 1.00 0.15 O ATOM 418 CB ARG A 355 -10.414 -11.062 -3.083 1.00 0.18 C ATOM 419 CG ARG A 355 -10.186 -11.961 -1.878 1.00 0.24 C ATOM 420 CD ARG A 355 -10.273 -13.427 -2.266 1.00 0.40 C ATOM 421 NE ARG A 355 -10.078 -14.319 -1.124 1.00 0.90 N ATOM 422 CZ ARG A 355 -11.024 -15.128 -0.645 1.00 1.53 C ATOM 423 NH1 ARG A 355 -12.237 -15.137 -1.190 1.00 1.59 N ATOM 424 NH2 ARG A 355 -10.750 -15.935 0.373 1.00 2.39 N ATOM 0 H ARG A 355 -8.537 -9.327 -1.468 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.297 -9.027 -3.753 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.451 -11.161 -3.404 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.791 -11.412 -3.906 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.207 -11.753 -1.445 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.927 -11.740 -1.110 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.246 -13.624 -2.715 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.522 -13.644 -3.025 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.166 -14.323 -0.667 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.447 -14.524 -1.977 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -12.958 -15.757 -0.821 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -9.818 -15.935 0.787 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -11.472 -16.555 0.741 1.00 2.39 H new ATOM 438 N TRP A 356 -12.217 -8.594 -2.209 1.00 0.15 N ATOM 439 CA TRP A 356 -13.241 -8.054 -1.324 1.00 0.16 C ATOM 440 C TRP A 356 -13.826 -9.129 -0.417 1.00 0.18 C ATOM 441 O TRP A 356 -14.175 -10.219 -0.873 1.00 0.25 O ATOM 442 CB TRP A 356 -14.374 -7.443 -2.146 1.00 0.18 C ATOM 443 CG TRP A 356 -14.027 -6.135 -2.775 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.847 -5.878 -4.100 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.816 -4.902 -2.093 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.552 -4.549 -4.279 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.527 -3.932 -3.058 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.850 -4.524 -0.757 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.274 -2.608 -2.725 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.595 -3.214 -0.426 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.312 -2.265 -1.406 1.00 0.20 C ATOM 0 H TRP A 356 -12.490 -8.618 -3.192 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.765 -7.293 -0.705 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.663 -8.146 -2.928 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.244 -7.307 -1.503 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.925 -6.609 -4.891 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.380 -4.095 -5.176 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.074 -5.249 0.011 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.054 -1.874 -3.486 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.614 -2.916 0.612 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.120 -1.242 -1.117 1.00 0.20 H new ATOM 462 N GLU A 357 -13.936 -8.808 0.863 1.00 0.18 N ATOM 463 CA GLU A 357 -14.641 -9.653 1.810 1.00 0.22 C ATOM 464 C GLU A 357 -16.074 -9.172 1.940 1.00 0.22 C ATOM 465 O GLU A 357 -17.017 -9.960 1.978 1.00 0.31 O ATOM 466 CB GLU A 357 -13.954 -9.616 3.168 1.00 0.25 C ATOM 467 CG GLU A 357 -12.614 -10.317 3.185 1.00 0.52 C ATOM 468 CD GLU A 357 -12.736 -11.800 2.916 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.121 -12.544 3.845 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.456 -12.227 1.780 1.00 0.79 O ATOM 0 H GLU A 357 -13.542 -7.960 1.271 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.632 -10.681 1.448 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.816 -8.577 3.468 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.606 -10.078 3.909 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -11.962 -9.867 2.436 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.139 -10.164 4.154 1.00 0.52 H new ATOM 477 N ASP A 358 -16.221 -7.859 1.996 1.00 0.19 N ATOM 478 CA ASP A 358 -17.527 -7.223 2.043 1.00 0.22 C ATOM 479 C ASP A 358 -17.434 -5.874 1.348 1.00 0.20 C ATOM 480 O ASP A 358 -17.085 -4.870 1.969 1.00 0.22 O ATOM 481 CB ASP A 358 -17.987 -7.041 3.492 1.00 0.28 C ATOM 482 CG ASP A 358 -19.484 -6.832 3.597 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.971 -5.743 3.236 1.00 2.07 O ATOM 484 OD2 ASP A 358 -20.182 -7.768 4.042 1.00 1.30 O ATOM 0 H ASP A 358 -15.439 -7.204 2.010 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.258 -7.853 1.536 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.703 -7.918 4.074 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.471 -6.187 3.930 1.00 0.28 H new ATOM 489 N LYS A 359 -17.728 -5.867 0.054 1.00 0.23 N ATOM 490 CA LYS A 359 -17.475 -4.703 -0.790 1.00 0.26 C ATOM 491 C LYS A 359 -18.290 -3.487 -0.364 1.00 0.28 C ATOM 492 O LYS A 359 -17.765 -2.373 -0.339 1.00 0.33 O ATOM 493 CB LYS A 359 -17.737 -5.043 -2.256 1.00 0.35 C ATOM 494 CG LYS A 359 -17.459 -3.894 -3.211 1.00 0.41 C ATOM 495 CD LYS A 359 -17.247 -4.396 -4.626 1.00 0.60 C ATOM 496 CE LYS A 359 -17.064 -3.252 -5.607 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.315 -2.473 -5.792 1.00 1.65 N ATOM 0 H LYS A 359 -18.144 -6.658 -0.437 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.425 -4.438 -0.668 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.119 -5.895 -2.538 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.776 -5.353 -2.367 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.293 -3.192 -3.192 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.576 -3.348 -2.880 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.371 -5.044 -4.655 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.101 -5.002 -4.929 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.275 -2.591 -5.250 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.738 -3.648 -6.569 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.205 -1.825 -6.598 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -19.105 -3.124 -5.976 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.512 -1.924 -4.931 1.00 1.65 H new ATOM 511 N GLU A 360 -19.557 -3.688 -0.017 1.00 0.32 N ATOM 512 CA GLU A 360 -20.403 -2.575 0.400 1.00 0.36 C ATOM 513 C GLU A 360 -19.883 -1.954 1.693 1.00 0.34 C ATOM 514 O GLU A 360 -19.944 -0.736 1.880 1.00 0.42 O ATOM 515 CB GLU A 360 -21.857 -3.012 0.583 1.00 0.45 C ATOM 516 CG GLU A 360 -22.792 -1.845 0.865 1.00 0.94 C ATOM 517 CD GLU A 360 -24.228 -2.269 1.076 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.935 -2.506 0.074 1.00 1.33 O ATOM 519 OE2 GLU A 360 -24.652 -2.394 2.242 1.00 1.40 O ATOM 0 H GLU A 360 -20.016 -4.599 -0.016 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.368 -1.828 -0.393 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.192 -3.531 -0.315 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.916 -3.726 1.404 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.443 -1.314 1.751 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.746 -1.142 0.033 1.00 0.94 H new ATOM 526 N SER A 361 -19.365 -2.792 2.578 1.00 0.28 N ATOM 527 CA SER A 361 -18.794 -2.322 3.827 1.00 0.27 C ATOM 528 C SER A 361 -17.401 -1.736 3.604 1.00 0.23 C ATOM 529 O SER A 361 -16.870 -1.037 4.468 1.00 0.25 O ATOM 530 CB SER A 361 -18.729 -3.479 4.820 1.00 0.29 C ATOM 531 OG SER A 361 -20.027 -3.946 5.149 1.00 1.10 O ATOM 0 H SER A 361 -19.329 -3.804 2.452 1.00 0.28 H new ATOM 0 HA SER A 361 -19.429 -1.532 4.229 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.143 -4.294 4.395 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.215 -3.156 5.726 1.00 0.29 H new ATOM 0 HG SER A 361 -20.283 -4.663 4.532 1.00 1.10 H new ATOM 537 N LYS A 362 -16.843 -2.010 2.420 1.00 0.20 N ATOM 538 CA LYS A 362 -15.486 -1.603 2.047 1.00 0.19 C ATOM 539 C LYS A 362 -14.440 -2.440 2.783 1.00 0.15 C ATOM 540 O LYS A 362 -13.299 -2.014 2.954 1.00 0.16 O ATOM 541 CB LYS A 362 -15.249 -0.113 2.313 1.00 0.24 C ATOM 542 CG LYS A 362 -16.225 0.801 1.593 1.00 0.33 C ATOM 543 CD LYS A 362 -15.906 0.916 0.113 1.00 0.46 C ATOM 544 CE LYS A 362 -14.568 1.597 -0.122 1.00 1.22 C ATOM 545 NZ LYS A 362 -14.466 2.896 0.601 1.00 1.83 N ATOM 0 H LYS A 362 -17.327 -2.527 1.686 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.383 -1.776 0.976 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.317 0.070 3.385 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.234 0.144 2.010 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.239 0.420 1.717 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.199 1.791 2.048 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.892 -0.078 -0.335 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.694 1.480 -0.386 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -13.764 0.937 0.203 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -14.430 1.765 -1.190 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -13.720 3.477 0.168 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -15.375 3.399 0.542 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -14.232 2.720 1.599 1.00 1.83 H new ATOM 559 N ILE A 363 -14.836 -3.640 3.198 1.00 0.14 N ATOM 560 CA ILE A 363 -13.931 -4.557 3.880 1.00 0.13 C ATOM 561 C ILE A 363 -13.226 -5.417 2.840 1.00 0.11 C ATOM 562 O ILE A 363 -13.869 -6.159 2.090 1.00 0.14 O ATOM 563 CB ILE A 363 -14.668 -5.476 4.898 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.086 -4.725 6.169 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.779 -6.644 5.292 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.772 -3.410 5.940 1.00 0.19 C ATOM 0 H ILE A 363 -15.782 -4.000 3.073 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.215 -3.960 4.444 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.570 -5.833 4.400 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.750 -5.366 6.749 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.198 -4.552 6.778 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.306 -7.279 6.004 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.527 -7.225 4.405 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.865 -6.267 5.750 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.026 -2.960 6.900 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.107 -2.743 5.392 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.682 -3.570 5.362 1.00 0.19 H new ATOM 578 N PHE A 364 -11.913 -5.320 2.792 1.00 0.09 N ATOM 579 CA PHE A 364 -11.147 -5.996 1.765 1.00 0.08 C ATOM 580 C PHE A 364 -9.983 -6.753 2.389 1.00 0.08 C ATOM 581 O PHE A 364 -9.376 -6.290 3.356 1.00 0.09 O ATOM 582 CB PHE A 364 -10.652 -4.989 0.719 1.00 0.09 C ATOM 583 CG PHE A 364 -9.463 -4.170 1.139 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.591 -3.139 2.054 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.216 -4.428 0.601 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.491 -2.383 2.423 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.117 -3.676 0.962 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.251 -2.653 1.871 1.00 0.10 C ATOM 0 H PHE A 364 -11.354 -4.780 3.452 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.791 -6.717 1.261 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.398 -5.530 -0.193 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.471 -4.313 0.471 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.558 -2.922 2.484 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.100 -5.230 -0.113 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.601 -1.584 3.141 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.151 -3.891 0.530 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.392 -2.062 2.153 1.00 0.10 H new ATOM 598 N ARG A 365 -9.686 -7.918 1.846 1.00 0.08 N ATOM 599 CA ARG A 365 -8.622 -8.744 2.374 1.00 0.09 C ATOM 600 C ARG A 365 -7.450 -8.763 1.429 1.00 0.09 C ATOM 601 O ARG A 365 -7.601 -9.033 0.236 1.00 0.10 O ATOM 602 CB ARG A 365 -9.093 -10.180 2.604 1.00 0.13 C ATOM 603 CG ARG A 365 -7.950 -11.153 2.867 1.00 0.20 C ATOM 604 CD ARG A 365 -8.380 -12.603 2.699 1.00 0.26 C ATOM 605 NE ARG A 365 -8.850 -13.217 3.943 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.914 -14.021 4.021 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.730 -14.159 2.987 1.00 1.04 N ATOM 608 NH2 ARG A 365 -10.182 -14.665 5.148 1.00 1.14 N ATOM 0 H ARG A 365 -10.168 -8.313 1.038 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.321 -8.312 3.329 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.779 -10.199 3.450 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.654 -10.516 1.731 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.128 -10.938 2.184 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.572 -11.003 3.878 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.174 -12.655 1.954 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.541 -13.181 2.311 1.00 0.26 H new ATOM 0 HE ARG A 365 -8.334 -13.019 4.800 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -10.548 -13.649 2.122 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.540 -14.775 3.055 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -9.575 -14.547 5.959 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -10.995 -15.278 5.204 1.00 1.14 H new ATOM 622 N ILE A 366 -6.283 -8.482 1.963 1.00 0.09 N ATOM 623 CA ILE A 366 -5.070 -8.682 1.217 1.00 0.09 C ATOM 624 C ILE A 366 -4.698 -10.153 1.295 1.00 0.09 C ATOM 625 O ILE A 366 -4.364 -10.683 2.361 1.00 0.12 O ATOM 626 CB ILE A 366 -3.945 -7.762 1.711 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.280 -6.324 1.286 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.601 -8.219 1.166 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.258 -5.287 1.684 1.00 0.12 C ATOM 0 H ILE A 366 -6.152 -8.116 2.906 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.227 -8.413 0.172 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.869 -7.803 2.798 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.398 -6.299 0.203 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.242 -6.048 1.717 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.817 -7.554 1.528 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.399 -9.236 1.503 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.623 -8.195 0.076 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.583 -4.305 1.340 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.155 -5.276 2.769 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.297 -5.530 1.231 1.00 0.12 H new ATOM 641 N VAL A 367 -4.824 -10.803 0.155 1.00 0.10 N ATOM 642 CA VAL A 367 -4.730 -12.247 0.053 1.00 0.12 C ATOM 643 C VAL A 367 -3.280 -12.698 0.020 1.00 0.13 C ATOM 644 O VAL A 367 -2.876 -13.589 0.771 1.00 0.19 O ATOM 645 CB VAL A 367 -5.477 -12.723 -1.205 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.251 -14.193 -1.471 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.958 -12.440 -1.068 1.00 0.20 C ATOM 0 H VAL A 367 -4.996 -10.339 -0.737 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.193 -12.693 0.934 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.079 -12.169 -2.055 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.796 -14.488 -2.368 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.186 -14.377 -1.616 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.608 -14.775 -0.621 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.478 -12.781 -1.963 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.350 -12.967 -0.198 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.114 -11.368 -0.944 1.00 0.20 H new ATOM 657 N ASP A 368 -2.495 -12.068 -0.832 1.00 0.12 N ATOM 658 CA ASP A 368 -1.079 -12.358 -0.906 1.00 0.13 C ATOM 659 C ASP A 368 -0.299 -11.069 -0.788 1.00 0.12 C ATOM 660 O ASP A 368 0.032 -10.428 -1.784 1.00 0.12 O ATOM 661 CB ASP A 368 -0.719 -13.085 -2.199 1.00 0.18 C ATOM 662 CG ASP A 368 0.656 -13.712 -2.126 1.00 0.25 C ATOM 663 OD1 ASP A 368 0.767 -14.880 -1.693 1.00 0.52 O ATOM 664 OD2 ASP A 368 1.636 -13.037 -2.509 1.00 0.50 O ATOM 0 H ASP A 368 -2.816 -11.351 -1.483 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.819 -13.021 -0.081 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.461 -13.858 -2.400 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.755 -12.384 -3.033 1.00 0.18 H new ATOM 669 N PRO A 369 -0.038 -10.665 0.452 1.00 0.11 N ATOM 670 CA PRO A 369 0.605 -9.402 0.774 1.00 0.11 C ATOM 671 C PRO A 369 1.932 -9.181 0.057 1.00 0.12 C ATOM 672 O PRO A 369 2.211 -8.076 -0.414 1.00 0.14 O ATOM 673 CB PRO A 369 0.801 -9.500 2.289 1.00 0.13 C ATOM 674 CG PRO A 369 -0.301 -10.366 2.719 1.00 0.13 C ATOM 675 CD PRO A 369 -0.388 -11.407 1.665 1.00 0.13 C ATOM 0 HA PRO A 369 0.005 -8.551 0.452 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.771 -9.928 2.542 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.751 -8.521 2.765 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.102 -10.806 3.696 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.234 -9.809 2.804 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.303 -12.230 1.850 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.387 -11.838 1.602 1.00 0.13 H new ATOM 683 N ASN A 370 2.741 -10.224 -0.033 1.00 0.15 N ATOM 684 CA ASN A 370 4.044 -10.116 -0.684 1.00 0.18 C ATOM 685 C ASN A 370 3.860 -9.759 -2.155 1.00 0.16 C ATOM 686 O ASN A 370 4.555 -8.889 -2.684 1.00 0.17 O ATOM 687 CB ASN A 370 4.826 -11.425 -0.556 1.00 0.25 C ATOM 688 CG ASN A 370 6.337 -11.235 -0.622 1.00 0.43 C ATOM 689 OD1 ASN A 370 7.091 -12.024 -0.055 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.796 -10.191 -1.301 1.00 0.99 N ATOM 0 H ASN A 370 2.524 -11.151 0.333 1.00 0.15 H new ATOM 0 HA ASN A 370 4.613 -9.328 -0.191 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.568 -11.903 0.389 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.517 -12.104 -1.351 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.800 -10.025 -1.364 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.144 -9.555 -1.760 1.00 0.99 H new ATOM 697 N GLY A 371 2.913 -10.426 -2.806 1.00 0.16 N ATOM 698 CA GLY A 371 2.621 -10.148 -4.198 1.00 0.17 C ATOM 699 C GLY A 371 1.925 -8.813 -4.376 1.00 0.14 C ATOM 700 O GLY A 371 2.157 -8.111 -5.359 1.00 0.16 O ATOM 0 H GLY A 371 2.339 -11.159 -2.390 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.548 -10.153 -4.771 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.992 -10.941 -4.602 1.00 0.17 H new ATOM 704 N LEU A 372 1.073 -8.467 -3.416 1.00 0.13 N ATOM 705 CA LEU A 372 0.365 -7.187 -3.419 1.00 0.12 C ATOM 706 C LEU A 372 1.372 -6.039 -3.404 1.00 0.12 C ATOM 707 O LEU A 372 1.255 -5.076 -4.166 1.00 0.12 O ATOM 708 CB LEU A 372 -0.558 -7.111 -2.193 1.00 0.12 C ATOM 709 CG LEU A 372 -1.853 -6.308 -2.364 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.571 -4.835 -2.610 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.679 -6.885 -3.498 1.00 0.14 C ATOM 0 H LEU A 372 0.853 -9.061 -2.617 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.240 -7.105 -4.322 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.822 -8.127 -1.901 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.006 -6.678 -1.367 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.418 -6.384 -1.435 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.513 -4.299 -2.726 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.021 -4.424 -1.764 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.977 -4.725 -3.517 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.596 -6.307 -3.611 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.106 -6.841 -4.424 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.929 -7.922 -3.275 1.00 0.14 H new ATOM 723 N ALA A 373 2.367 -6.164 -2.537 1.00 0.13 N ATOM 724 CA ALA A 373 3.450 -5.194 -2.444 1.00 0.16 C ATOM 725 C ALA A 373 4.226 -5.116 -3.756 1.00 0.18 C ATOM 726 O ALA A 373 4.637 -4.039 -4.180 1.00 0.22 O ATOM 727 CB ALA A 373 4.367 -5.580 -1.304 1.00 0.18 C ATOM 0 H ALA A 373 2.447 -6.939 -1.879 1.00 0.13 H new ATOM 0 HA ALA A 373 3.029 -4.207 -2.251 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.180 -4.857 -1.230 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.804 -5.589 -0.371 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.779 -6.572 -1.489 1.00 0.18 H new ATOM 733 N ARG A 374 4.418 -6.268 -4.398 1.00 0.19 N ATOM 734 CA ARG A 374 5.085 -6.313 -5.697 1.00 0.24 C ATOM 735 C ARG A 374 4.261 -5.588 -6.750 1.00 0.19 C ATOM 736 O ARG A 374 4.800 -4.857 -7.581 1.00 0.21 O ATOM 737 CB ARG A 374 5.346 -7.746 -6.137 1.00 0.33 C ATOM 738 CG ARG A 374 6.661 -8.294 -5.620 1.00 0.67 C ATOM 739 CD ARG A 374 6.464 -9.671 -5.042 1.00 0.92 C ATOM 740 NE ARG A 374 7.709 -10.256 -4.549 1.00 1.47 N ATOM 741 CZ ARG A 374 7.841 -11.539 -4.213 1.00 1.99 C ATOM 742 NH1 ARG A 374 6.823 -12.378 -4.373 1.00 2.45 N ATOM 743 NH2 ARG A 374 8.997 -11.981 -3.739 1.00 2.67 N ATOM 0 H ARG A 374 4.123 -7.177 -4.042 1.00 0.19 H new ATOM 0 HA ARG A 374 6.045 -5.809 -5.590 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.532 -8.381 -5.788 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.342 -7.792 -7.226 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.390 -8.333 -6.430 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.066 -7.627 -4.859 1.00 0.67 H new ATOM 0 HD2 ARG A 374 5.743 -9.619 -4.226 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.037 -10.323 -5.804 1.00 0.92 H new ATOM 0 HE ARG A 374 8.523 -9.648 -4.457 1.00 1.47 H new ATOM 0 HH11 ARG A 374 5.939 -12.040 -4.753 1.00 2.45 H new ATOM 0 HH12 ARG A 374 6.926 -13.360 -4.115 1.00 2.45 H new ATOM 0 HH21 ARG A 374 9.783 -11.340 -3.632 1.00 2.67 H new ATOM 0 HH22 ARG A 374 9.101 -12.962 -3.481 1.00 2.67 H new ATOM 757 N LEU A 375 2.947 -5.794 -6.704 1.00 0.17 N ATOM 758 CA LEU A 375 2.032 -5.103 -7.598 1.00 0.18 C ATOM 759 C LEU A 375 2.153 -3.596 -7.410 1.00 0.19 C ATOM 760 O LEU A 375 2.315 -2.851 -8.374 1.00 0.22 O ATOM 761 CB LEU A 375 0.586 -5.548 -7.347 1.00 0.18 C ATOM 762 CG LEU A 375 0.270 -7.002 -7.711 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.158 -7.347 -7.321 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.472 -7.238 -9.198 1.00 0.26 C ATOM 0 H LEU A 375 2.495 -6.437 -6.054 1.00 0.17 H new ATOM 0 HA LEU A 375 2.298 -5.357 -8.624 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.356 -5.398 -6.292 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.079 -4.897 -7.914 1.00 0.18 H new ATOM 0 HG LEU A 375 0.953 -7.647 -7.159 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.367 -8.383 -7.586 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.284 -7.215 -6.246 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.848 -6.691 -7.851 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.242 -8.277 -9.436 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.189 -6.581 -9.764 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.508 -7.026 -9.463 1.00 0.26 H new ATOM 776 N TRP A 376 2.091 -3.149 -6.161 1.00 0.18 N ATOM 777 CA TRP A 376 2.237 -1.733 -5.855 1.00 0.20 C ATOM 778 C TRP A 376 3.613 -1.237 -6.298 1.00 0.25 C ATOM 779 O TRP A 376 3.772 -0.087 -6.716 1.00 0.30 O ATOM 780 CB TRP A 376 2.025 -1.483 -4.362 1.00 0.20 C ATOM 781 CG TRP A 376 2.103 -0.037 -3.986 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.294 0.970 -4.424 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.038 0.558 -3.081 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.689 2.165 -3.869 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.754 1.935 -3.034 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.091 0.061 -2.311 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.486 2.819 -2.245 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.813 0.937 -1.529 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.509 2.301 -1.499 1.00 0.35 C ATOM 0 H TRP A 376 1.941 -3.745 -5.347 1.00 0.18 H new ATOM 0 HA TRP A 376 1.477 -1.176 -6.403 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.051 -1.875 -4.070 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.774 -2.039 -3.798 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.466 0.847 -5.106 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.261 3.073 -4.048 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.336 -0.991 -2.328 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.255 3.874 -2.223 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.629 0.562 -0.928 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.094 2.960 -0.874 1.00 0.35 H new ATOM 800 N GLY A 377 4.599 -2.120 -6.216 1.00 0.27 N ATOM 801 CA GLY A 377 5.922 -1.813 -6.712 1.00 0.33 C ATOM 802 C GLY A 377 5.921 -1.534 -8.202 1.00 0.38 C ATOM 803 O GLY A 377 6.597 -0.623 -8.667 1.00 0.41 O ATOM 0 H GLY A 377 4.502 -3.051 -5.811 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.316 -0.946 -6.181 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.591 -2.647 -6.500 1.00 0.33 H new ATOM 807 N ASN A 378 5.143 -2.312 -8.945 1.00 0.41 N ATOM 808 CA ASN A 378 4.986 -2.116 -10.386 1.00 0.50 C ATOM 809 C ASN A 378 4.455 -0.714 -10.684 1.00 0.51 C ATOM 810 O ASN A 378 4.823 -0.091 -11.680 1.00 0.62 O ATOM 811 CB ASN A 378 4.032 -3.176 -10.947 1.00 0.54 C ATOM 812 CG ASN A 378 3.811 -3.075 -12.447 1.00 0.72 C ATOM 813 OD1 ASN A 378 4.698 -2.676 -13.202 1.00 0.89 O ATOM 814 ND2 ASN A 378 2.620 -3.455 -12.895 1.00 1.06 N ATOM 0 H ASN A 378 4.605 -3.093 -8.571 1.00 0.41 H new ATOM 0 HA ASN A 378 5.960 -2.219 -10.865 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.426 -4.165 -10.714 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.070 -3.089 -10.441 1.00 0.54 H new ATOM 0 HD21 ASN A 378 2.416 -3.422 -13.894 1.00 1.06 H new ATOM 0 HD22 ASN A 378 1.909 -3.780 -12.240 1.00 1.06 H new ATOM 821 N HIS A 379 3.612 -0.216 -9.793 1.00 0.44 N ATOM 822 CA HIS A 379 3.004 1.098 -9.955 1.00 0.49 C ATOM 823 C HIS A 379 3.970 2.213 -9.538 1.00 0.53 C ATOM 824 O HIS A 379 3.971 3.292 -10.134 1.00 0.67 O ATOM 825 CB HIS A 379 1.702 1.162 -9.142 1.00 0.51 C ATOM 826 CG HIS A 379 1.009 2.497 -9.157 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.295 2.930 -10.251 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.933 3.435 -8.181 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.196 4.113 -9.915 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.162 4.459 -8.671 1.00 0.89 N ATOM 0 H HIS A 379 3.331 -0.705 -8.943 1.00 0.44 H new ATOM 0 HA HIS A 379 2.773 1.252 -11.009 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.014 0.408 -9.525 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.923 0.896 -8.108 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.392 3.386 -7.204 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.808 4.723 -10.563 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.090 5.318 -8.182 1.00 0.89 H new ATOM 838 N LYS A 380 4.797 1.950 -8.529 1.00 0.47 N ATOM 839 CA LYS A 380 5.696 2.964 -7.993 1.00 0.55 C ATOM 840 C LYS A 380 7.135 2.746 -8.457 1.00 0.56 C ATOM 841 O LYS A 380 8.074 3.110 -7.751 1.00 0.70 O ATOM 842 CB LYS A 380 5.631 2.982 -6.464 1.00 0.62 C ATOM 843 CG LYS A 380 4.269 3.387 -5.926 1.00 0.79 C ATOM 844 CD LYS A 380 3.864 4.784 -6.384 1.00 0.75 C ATOM 845 CE LYS A 380 4.818 5.851 -5.868 1.00 0.84 C ATOM 846 NZ LYS A 380 4.346 7.226 -6.185 1.00 1.36 N ATOM 0 H LYS A 380 4.862 1.043 -8.067 1.00 0.47 H new ATOM 0 HA LYS A 380 5.366 3.930 -8.376 1.00 0.55 H new ATOM 0 HB2 LYS A 380 5.884 1.992 -6.085 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.384 3.672 -6.083 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.520 2.667 -6.256 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.285 3.354 -4.837 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.839 4.816 -7.473 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.854 5.001 -6.036 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.929 5.746 -4.789 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.804 5.697 -6.306 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 5.058 7.918 -5.875 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 4.200 7.315 -7.211 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 3.449 7.408 -5.691 1.00 1.36 H new ATOM 860 N ASN A 381 7.285 2.118 -9.631 1.00 0.52 N ATOM 861 CA ASN A 381 8.594 1.830 -10.247 1.00 0.60 C ATOM 862 C ASN A 381 9.575 1.203 -9.253 1.00 0.59 C ATOM 863 O ASN A 381 10.778 1.471 -9.274 1.00 0.76 O ATOM 864 CB ASN A 381 9.199 3.078 -10.932 1.00 0.76 C ATOM 865 CG ASN A 381 9.508 4.241 -9.998 1.00 1.50 C ATOM 866 OD1 ASN A 381 8.673 5.124 -9.786 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.716 4.267 -9.456 1.00 2.17 N ATOM 0 H ASN A 381 6.495 1.791 -10.188 1.00 0.52 H new ATOM 0 HA ASN A 381 8.413 1.090 -11.027 1.00 0.60 H new ATOM 0 HB2 ASN A 381 10.118 2.785 -11.439 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.507 3.423 -11.700 1.00 0.76 H new ATOM 0 HD21 ASN A 381 10.982 5.035 -8.840 1.00 2.17 H new ATOM 0 HD22 ASN A 381 11.380 3.519 -9.654 1.00 2.17 H new ATOM 874 N ARG A 382 9.043 0.332 -8.413 1.00 0.49 N ATOM 875 CA ARG A 382 9.822 -0.367 -7.409 1.00 0.55 C ATOM 876 C ARG A 382 10.213 -1.747 -7.916 1.00 0.67 C ATOM 877 O ARG A 382 9.396 -2.460 -8.500 1.00 0.79 O ATOM 878 CB ARG A 382 9.009 -0.479 -6.126 1.00 0.51 C ATOM 879 CG ARG A 382 8.888 0.841 -5.414 1.00 0.70 C ATOM 880 CD ARG A 382 10.229 1.269 -4.842 1.00 1.09 C ATOM 881 NE ARG A 382 10.566 0.544 -3.612 1.00 1.88 N ATOM 882 CZ ARG A 382 11.728 0.668 -2.966 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.704 1.405 -3.479 1.00 2.40 N ATOM 884 NH2 ARG A 382 11.922 0.023 -1.820 1.00 3.26 N ATOM 0 H ARG A 382 8.052 0.089 -8.409 1.00 0.49 H new ATOM 0 HA ARG A 382 10.735 0.192 -7.204 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.014 -0.856 -6.360 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.478 -1.206 -5.463 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.523 1.600 -6.106 1.00 0.70 H new ATOM 0 HG3 ARG A 382 8.154 0.761 -4.612 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.009 1.102 -5.585 1.00 1.09 H new ATOM 0 HD3 ARG A 382 10.209 2.339 -4.637 1.00 1.09 H new ATOM 0 HE ARG A 382 9.870 -0.094 -3.227 1.00 1.88 H new ATOM 0 HH11 ARG A 382 12.569 1.881 -4.371 1.00 2.40 H new ATOM 0 HH12 ARG A 382 13.590 1.496 -2.981 1.00 2.40 H new ATOM 0 HH21 ARG A 382 11.184 -0.566 -1.435 1.00 3.26 H new ATOM 0 HH22 ARG A 382 12.809 0.117 -1.326 1.00 3.26 H new ATOM 943 N THR A 386 8.399 -5.928 -0.719 1.00 0.33 N ATOM 944 CA THR A 386 7.725 -6.892 0.135 1.00 0.28 C ATOM 945 C THR A 386 6.646 -6.173 0.950 1.00 0.21 C ATOM 946 O THR A 386 6.732 -4.958 1.116 1.00 0.24 O ATOM 947 CB THR A 386 8.759 -7.587 1.051 1.00 0.33 C ATOM 948 OG1 THR A 386 9.436 -8.617 0.324 1.00 0.54 O ATOM 949 CG2 THR A 386 8.132 -8.166 2.297 1.00 0.26 C ATOM 0 HA THR A 386 7.244 -7.661 -0.469 1.00 0.28 H new ATOM 0 HB THR A 386 9.470 -6.826 1.372 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.091 -9.053 0.908 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.902 -8.642 2.904 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.659 -7.369 2.870 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.382 -8.906 2.017 1.00 0.26 H new ATOM 957 N TYR A 387 5.620 -6.884 1.425 1.00 0.19 N ATOM 958 CA TYR A 387 4.498 -6.220 2.083 1.00 0.17 C ATOM 959 C TYR A 387 4.956 -5.359 3.248 1.00 0.16 C ATOM 960 O TYR A 387 4.516 -4.227 3.381 1.00 0.18 O ATOM 961 CB TYR A 387 3.453 -7.198 2.580 1.00 0.19 C ATOM 962 CG TYR A 387 2.200 -6.478 3.007 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.103 -5.884 4.258 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.123 -6.373 2.148 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.968 -5.206 4.636 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.017 -5.703 2.520 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.089 -5.119 3.764 1.00 0.26 C ATOM 968 OH TYR A 387 -1.225 -4.451 4.145 1.00 0.30 O ATOM 0 H TYR A 387 5.545 -7.900 1.367 1.00 0.19 H new ATOM 0 HA TYR A 387 4.047 -5.587 1.319 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.215 -7.913 1.793 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.853 -7.768 3.419 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.933 -5.956 4.946 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.178 -6.825 1.169 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.908 -4.746 5.611 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.853 -5.635 1.839 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.883 -5.092 4.487 1.00 0.30 H new ATOM 978 N GLU A 388 5.825 -5.898 4.094 1.00 0.20 N ATOM 979 CA GLU A 388 6.370 -5.142 5.223 1.00 0.26 C ATOM 980 C GLU A 388 6.944 -3.804 4.763 1.00 0.25 C ATOM 981 O GLU A 388 6.969 -2.822 5.505 1.00 0.31 O ATOM 982 CB GLU A 388 7.456 -5.948 5.919 1.00 0.38 C ATOM 983 CG GLU A 388 6.943 -7.210 6.590 1.00 1.00 C ATOM 984 CD GLU A 388 5.717 -6.954 7.440 1.00 1.78 C ATOM 985 OE1 GLU A 388 5.856 -6.358 8.529 1.00 2.34 O ATOM 986 OE2 GLU A 388 4.608 -7.366 7.041 1.00 2.37 O ATOM 0 H GLU A 388 6.170 -6.855 4.023 1.00 0.20 H new ATOM 0 HA GLU A 388 5.555 -4.949 5.921 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.219 -6.219 5.189 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.939 -5.320 6.667 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.705 -7.952 5.828 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.731 -7.633 7.212 1.00 1.00 H new ATOM 993 N LYS A 389 7.428 -3.799 3.539 1.00 0.24 N ATOM 994 CA LYS A 389 7.970 -2.611 2.908 1.00 0.28 C ATOM 995 C LYS A 389 6.855 -1.739 2.306 1.00 0.26 C ATOM 996 O LYS A 389 6.965 -0.515 2.272 1.00 0.32 O ATOM 997 CB LYS A 389 9.014 -3.050 1.872 1.00 0.34 C ATOM 998 CG LYS A 389 10.066 -3.949 2.505 1.00 0.46 C ATOM 999 CD LYS A 389 11.088 -4.466 1.520 1.00 0.52 C ATOM 1000 CE LYS A 389 12.151 -5.273 2.246 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.963 -4.442 3.176 1.00 1.62 N ATOM 0 H LYS A 389 7.457 -4.629 2.946 1.00 0.24 H new ATOM 0 HA LYS A 389 8.461 -1.980 3.649 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.522 -3.579 1.056 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.494 -2.172 1.439 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.579 -3.396 3.292 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.571 -4.795 2.981 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.599 -5.086 0.769 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.551 -3.632 0.993 1.00 0.52 H new ATOM 0 HE2 LYS A 389 11.673 -6.077 2.806 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.809 -5.742 1.514 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.836 -4.950 3.423 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 13.205 -3.542 2.715 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.416 -4.253 4.040 1.00 1.62 H new ATOM 1015 N MET A 390 5.772 -2.374 1.851 1.00 0.19 N ATOM 1016 CA MET A 390 4.604 -1.655 1.316 1.00 0.20 C ATOM 1017 C MET A 390 3.763 -1.052 2.447 1.00 0.20 C ATOM 1018 O MET A 390 3.207 0.040 2.314 1.00 0.22 O ATOM 1019 CB MET A 390 3.728 -2.596 0.474 1.00 0.18 C ATOM 1020 CG MET A 390 2.310 -2.768 1.015 1.00 0.23 C ATOM 1021 SD MET A 390 1.274 -3.803 -0.031 1.00 0.68 S ATOM 1022 CE MET A 390 1.039 -2.715 -1.431 1.00 1.18 C ATOM 0 H MET A 390 5.676 -3.389 1.841 1.00 0.19 H new ATOM 0 HA MET A 390 4.975 -0.848 0.685 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.674 -2.212 -0.545 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.208 -3.573 0.421 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.359 -3.204 2.013 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.846 -1.787 1.119 1.00 0.23 H new ATOM 0 HE1 MET A 390 1.036 -3.301 -2.350 1.00 1.18 H new ATOM 0 HE2 MET A 390 0.088 -2.193 -1.330 1.00 1.18 H new ATOM 0 HE3 MET A 390 1.850 -1.988 -1.467 1.00 1.18 H new ATOM 1032 N SER A 391 3.686 -1.779 3.561 1.00 0.20 N ATOM 1033 CA SER A 391 2.832 -1.423 4.687 1.00 0.21 C ATOM 1034 C SER A 391 3.243 -0.089 5.288 1.00 0.18 C ATOM 1035 O SER A 391 2.470 0.547 5.996 1.00 0.18 O ATOM 1036 CB SER A 391 2.880 -2.516 5.749 1.00 0.26 C ATOM 1037 OG SER A 391 4.203 -2.737 6.196 1.00 0.64 O ATOM 0 H SER A 391 4.219 -2.637 3.706 1.00 0.20 H new ATOM 0 HA SER A 391 1.810 -1.327 4.320 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.250 -2.234 6.593 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.472 -3.441 5.341 1.00 0.26 H new ATOM 0 HG SER A 391 4.205 -3.441 6.877 1.00 0.64 H new ATOM 1043 N ARG A 392 4.477 0.310 5.021 1.00 0.19 N ATOM 1044 CA ARG A 392 4.988 1.593 5.486 1.00 0.20 C ATOM 1045 C ARG A 392 4.120 2.733 4.961 1.00 0.19 C ATOM 1046 O ARG A 392 3.849 3.699 5.675 1.00 0.23 O ATOM 1047 CB ARG A 392 6.433 1.789 5.034 1.00 0.24 C ATOM 1048 CG ARG A 392 7.415 0.812 5.647 1.00 0.52 C ATOM 1049 CD ARG A 392 7.566 1.051 7.131 1.00 0.67 C ATOM 1050 NE ARG A 392 7.917 2.438 7.425 1.00 1.31 N ATOM 1051 CZ ARG A 392 7.985 2.948 8.650 1.00 1.66 C ATOM 1052 NH1 ARG A 392 7.738 2.192 9.711 1.00 1.88 N ATOM 1053 NH2 ARG A 392 8.305 4.222 8.814 1.00 2.48 N ATOM 0 H ARG A 392 5.147 -0.238 4.482 1.00 0.19 H new ATOM 0 HA ARG A 392 4.957 1.599 6.576 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.478 1.698 3.949 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.745 2.804 5.282 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.074 -0.209 5.473 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.385 0.912 5.159 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.634 0.797 7.637 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.335 0.389 7.529 1.00 0.67 H new ATOM 0 HE ARG A 392 8.123 3.055 6.639 1.00 1.31 H new ATOM 0 HH11 ARG A 392 7.493 1.209 9.591 1.00 1.88 H new ATOM 0 HH12 ARG A 392 7.793 2.593 10.647 1.00 1.88 H new ATOM 0 HH21 ARG A 392 8.498 4.808 8.002 1.00 2.48 H new ATOM 0 HH22 ARG A 392 8.358 4.618 9.753 1.00 2.48 H new ATOM 1067 N ALA A 393 3.664 2.599 3.716 1.00 0.16 N ATOM 1068 CA ALA A 393 2.770 3.586 3.123 1.00 0.16 C ATOM 1069 C ALA A 393 1.389 3.487 3.774 1.00 0.16 C ATOM 1070 O ALA A 393 0.770 4.495 4.109 1.00 0.19 O ATOM 1071 CB ALA A 393 2.674 3.396 1.608 1.00 0.19 C ATOM 0 H ALA A 393 3.899 1.819 3.103 1.00 0.16 H new ATOM 0 HA ALA A 393 3.175 4.582 3.305 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.001 4.144 1.189 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.663 3.508 1.164 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.289 2.400 1.390 1.00 0.19 H new ATOM 1077 N LEU A 394 0.932 2.251 3.971 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.350 1.973 4.622 1.00 0.18 C ATOM 1079 C LEU A 394 -0.377 2.474 6.065 1.00 0.18 C ATOM 1080 O LEU A 394 -1.439 2.806 6.591 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.637 0.469 4.585 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.935 -0.088 3.196 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.777 -1.592 3.183 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.343 0.290 2.765 1.00 0.24 C ATOM 0 H LEU A 394 1.439 1.414 3.684 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.124 2.509 4.073 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.221 -0.061 4.998 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.486 0.258 5.236 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.223 0.345 2.493 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.993 -1.972 2.185 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.245 -1.853 3.457 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.469 -2.037 3.898 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.541 -0.114 1.772 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.063 -0.120 3.474 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.437 1.376 2.740 1.00 0.24 H new ATOM 1096 N ARG A 395 0.793 2.515 6.697 1.00 0.20 N ATOM 1097 CA ARG A 395 0.922 2.955 8.087 1.00 0.26 C ATOM 1098 C ARG A 395 0.295 4.332 8.301 1.00 0.21 C ATOM 1099 O ARG A 395 -0.296 4.600 9.348 1.00 0.22 O ATOM 1100 CB ARG A 395 2.396 2.990 8.502 1.00 0.36 C ATOM 1101 CG ARG A 395 2.736 2.048 9.649 1.00 0.94 C ATOM 1102 CD ARG A 395 2.555 0.591 9.253 1.00 0.94 C ATOM 1103 NE ARG A 395 2.855 -0.321 10.358 1.00 1.59 N ATOM 1104 CZ ARG A 395 3.234 -1.588 10.203 1.00 1.91 C ATOM 1105 NH1 ARG A 395 3.388 -2.097 8.989 1.00 1.87 N ATOM 1106 NH2 ARG A 395 3.467 -2.340 11.269 1.00 2.78 N ATOM 0 H ARG A 395 1.676 2.246 6.264 1.00 0.20 H new ATOM 0 HA ARG A 395 0.387 2.236 8.708 1.00 0.26 H new ATOM 0 HB2 ARG A 395 3.012 2.735 7.640 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.658 4.008 8.791 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.766 2.214 9.963 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.101 2.274 10.506 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.530 0.431 8.920 1.00 0.94 H new ATOM 0 HD3 ARG A 395 3.204 0.362 8.408 1.00 0.94 H new ATOM 0 HE ARG A 395 2.768 0.038 11.309 1.00 1.59 H new ATOM 0 HH11 ARG A 395 3.216 -1.517 8.167 1.00 1.87 H new ATOM 0 HH12 ARG A 395 3.679 -3.068 8.876 1.00 1.87 H new ATOM 0 HH21 ARG A 395 3.356 -1.948 12.204 1.00 2.78 H new ATOM 0 HH22 ARG A 395 3.757 -3.311 11.154 1.00 2.78 H new ATOM 1120 N HIS A 396 0.415 5.194 7.300 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.152 6.532 7.378 1.00 0.19 C ATOM 1122 C HIS A 396 -1.656 6.477 7.184 1.00 0.16 C ATOM 1123 O HIS A 396 -2.401 7.204 7.839 1.00 0.22 O ATOM 1124 CB HIS A 396 0.501 7.450 6.342 1.00 0.24 C ATOM 1125 CG HIS A 396 1.973 7.619 6.562 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.466 8.584 7.409 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.008 6.905 6.056 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.780 8.432 7.404 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.152 7.428 6.601 1.00 1.17 N ATOM 0 H HIS A 396 0.899 4.990 6.426 1.00 0.20 H new ATOM 0 HA HIS A 396 0.050 6.942 8.368 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.332 7.043 5.345 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.019 8.427 6.374 1.00 0.24 H new ATOM 0 HD2 HIS A 396 2.944 6.083 5.358 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.465 9.041 7.975 1.00 1.63 H new ATOM 0 HE2 HIS A 396 5.106 7.112 6.427 1.00 1.17 H new ATOM 1137 N TYR A 397 -2.100 5.561 6.328 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.515 5.443 5.978 1.00 0.15 C ATOM 1139 C TYR A 397 -4.340 5.069 7.202 1.00 0.18 C ATOM 1140 O TYR A 397 -5.526 5.395 7.284 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.726 4.393 4.876 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.087 4.739 3.546 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.045 5.650 3.458 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.524 4.139 2.376 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.464 5.960 2.253 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.948 4.441 1.163 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.915 5.355 1.104 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.339 5.673 -0.105 1.00 0.35 O ATOM 0 H TYR A 397 -1.497 4.885 5.860 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.845 6.413 5.605 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.326 3.439 5.220 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.796 4.254 4.725 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.683 6.126 4.357 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.331 3.422 2.417 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.657 6.676 2.208 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.303 3.965 0.261 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.374 5.796 0.015 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.695 4.384 8.145 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.330 4.004 9.400 1.00 0.29 C ATOM 1160 C TYR A 398 -4.728 5.239 10.194 1.00 0.31 C ATOM 1161 O TYR A 398 -5.788 5.281 10.819 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.387 3.134 10.236 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.044 1.821 9.575 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.028 1.067 8.960 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.741 1.343 9.550 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.732 -0.127 8.342 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.433 0.146 8.932 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.432 -0.585 8.327 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.129 -1.779 7.711 1.00 0.60 O ATOM 0 H TYR A 398 -2.725 4.080 8.059 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.227 3.431 9.166 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.468 3.687 10.428 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.848 2.936 11.204 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.048 1.422 8.965 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.956 1.916 10.021 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.515 -0.702 7.871 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.415 -0.214 8.923 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.168 -1.954 7.791 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.875 6.252 10.145 1.00 0.28 N ATOM 1180 CA LYS A 399 -4.088 7.466 10.914 1.00 0.32 C ATOM 1181 C LYS A 399 -5.013 8.408 10.168 1.00 0.29 C ATOM 1182 O LYS A 399 -5.766 9.175 10.767 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.763 8.160 11.174 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.680 7.201 11.631 1.00 0.53 C ATOM 1185 CD LYS A 399 -2.187 6.275 12.718 1.00 0.68 C ATOM 1186 CE LYS A 399 -1.152 5.229 13.071 1.00 1.31 C ATOM 1187 NZ LYS A 399 -1.604 4.333 14.168 1.00 1.98 N ATOM 0 H LYS A 399 -3.027 6.255 9.578 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.546 7.194 11.865 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.436 8.664 10.264 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.904 8.931 11.932 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.331 6.612 10.783 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.824 7.765 12.001 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.439 6.855 13.606 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -3.103 5.787 12.386 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.927 4.632 12.187 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -0.226 5.723 13.367 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -0.862 3.634 14.374 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -1.794 4.897 15.021 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -2.473 3.840 13.878 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.948 8.328 8.846 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.794 9.125 7.973 1.00 0.23 C ATOM 1203 C LEU A 400 -7.188 8.544 7.925 1.00 0.22 C ATOM 1204 O LEU A 400 -8.061 9.043 7.210 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.227 9.118 6.567 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.757 9.463 6.475 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.149 8.816 5.259 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.583 10.954 6.415 1.00 0.36 C ATOM 0 H LEU A 400 -4.307 7.709 8.350 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.830 10.142 8.362 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.382 8.130 6.133 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.791 9.826 5.959 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.247 9.086 7.362 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.091 9.071 5.202 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.259 7.734 5.330 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.657 9.174 4.364 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.522 11.194 6.349 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.099 11.346 5.538 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.002 11.406 7.314 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.359 7.455 8.681 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.597 6.687 8.733 1.00 0.24 C ATOM 1222 C ASN A 401 -9.128 6.419 7.332 1.00 0.19 C ATOM 1223 O ASN A 401 -10.326 6.479 7.075 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.651 7.328 9.666 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.868 8.818 9.458 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.745 9.232 8.698 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -9.059 9.632 10.128 1.00 1.24 N ATOM 0 H ASN A 401 -6.626 7.080 9.283 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.368 5.719 9.179 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.602 6.814 9.524 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.350 7.160 10.700 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -9.151 10.642 10.023 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.346 9.246 10.747 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.193 6.144 6.426 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.506 5.688 5.080 1.00 0.13 C ATOM 1236 C ILE A 402 -8.706 4.192 5.111 1.00 0.13 C ATOM 1237 O ILE A 402 -9.679 3.654 4.587 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.351 6.006 4.106 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.172 7.517 3.980 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.592 5.371 2.738 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.882 7.915 3.305 1.00 0.14 C ATOM 0 H ILE A 402 -7.193 6.233 6.609 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.406 6.199 4.739 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.434 5.578 4.510 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.010 7.929 3.417 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.206 7.963 4.974 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.762 5.612 2.074 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.667 4.289 2.847 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.519 5.758 2.316 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.821 9.002 3.249 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.038 7.533 3.879 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.854 7.498 2.298 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.766 3.539 5.760 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.752 2.103 5.873 1.00 0.14 C ATOM 1255 C ILE A 403 -7.492 1.721 7.316 1.00 0.17 C ATOM 1256 O ILE A 403 -6.556 2.223 7.930 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.653 1.496 4.976 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.949 1.778 3.503 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.518 0.001 5.220 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.819 1.397 2.576 1.00 0.20 C ATOM 0 H ILE A 403 -6.984 3.998 6.227 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.718 1.715 5.550 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.704 1.967 5.234 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.847 1.234 3.211 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.166 2.839 3.381 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.737 -0.404 4.576 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.256 -0.175 6.263 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.464 -0.491 4.996 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.099 1.625 1.548 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.925 1.960 2.842 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.616 0.330 2.669 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.336 0.872 7.865 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.105 0.340 9.196 1.00 0.18 C ATOM 1274 C ARG A 404 -8.069 -1.169 9.120 1.00 0.20 C ATOM 1275 O ARG A 404 -8.591 -1.758 8.175 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.203 0.781 10.170 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.517 0.059 9.985 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.138 -0.271 11.330 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.358 -1.070 11.196 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.370 -1.058 12.062 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.355 -0.252 13.115 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.404 -1.861 11.863 1.00 2.08 N ATOM 0 H ARG A 404 -9.186 0.535 7.413 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.154 0.724 9.566 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.854 0.622 11.190 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.369 1.852 10.053 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.200 0.679 9.405 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.358 -0.858 9.417 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.415 -0.814 11.938 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.368 0.654 11.859 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.438 -1.679 10.382 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.561 0.370 13.270 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.137 -0.254 13.770 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.420 -2.481 11.053 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.184 -1.860 12.520 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.450 -1.788 10.098 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.442 -3.234 10.182 1.00 0.26 C ATOM 1298 C LYS A 405 -8.707 -3.699 10.869 1.00 0.27 C ATOM 1299 O LYS A 405 -9.055 -3.197 11.939 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.222 -3.732 10.952 1.00 0.31 C ATOM 1301 CG LYS A 405 -4.910 -3.471 10.241 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.736 -4.044 11.015 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.785 -5.564 11.072 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.750 -6.119 11.982 1.00 1.73 N ATOM 0 H LYS A 405 -6.945 -1.315 10.848 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.395 -3.643 9.173 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.198 -3.251 11.930 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.325 -4.803 11.126 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -4.941 -3.912 9.245 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.772 -2.398 10.111 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -2.803 -3.728 10.548 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -3.737 -3.642 12.028 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -4.772 -5.883 11.408 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -3.643 -5.969 10.070 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.817 -7.157 11.992 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -1.806 -5.837 11.648 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -2.901 -5.753 12.944 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.407 -4.633 10.250 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.642 -5.127 10.819 1.00 0.27 C ATOM 1320 C GLU A 406 -10.386 -5.862 12.120 1.00 0.29 C ATOM 1321 O GLU A 406 -9.366 -6.537 12.293 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.396 -6.011 9.832 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.169 -5.199 8.815 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.293 -4.386 9.425 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.382 -4.939 9.672 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.095 -3.174 9.649 1.00 0.81 O ATOM 0 H GLU A 406 -9.143 -5.059 9.362 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.272 -4.264 11.037 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.690 -6.661 9.315 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.084 -6.658 10.377 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.483 -4.527 8.299 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.583 -5.871 8.063 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.331 -5.700 13.043 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.271 -6.227 14.406 1.00 0.38 C ATOM 1335 C PRO A 407 -10.846 -7.692 14.476 1.00 0.41 C ATOM 1336 O PRO A 407 -11.586 -8.588 14.068 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.721 -6.062 14.899 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.516 -5.749 13.676 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.576 -4.972 12.821 1.00 0.45 C ATOM 0 HA PRO A 407 -10.525 -5.706 15.006 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -13.080 -6.972 15.380 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.798 -5.261 15.635 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.852 -6.657 13.176 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.407 -5.170 13.917 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.874 -4.975 11.773 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.504 -3.929 13.129 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.649 -7.917 15.010 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.159 -9.265 15.234 1.00 0.60 C ATOM 1349 C GLY A 408 -8.926 -10.047 13.953 1.00 0.56 C ATOM 1350 O GLY A 408 -9.105 -11.265 13.930 1.00 0.66 O ATOM 0 H GLY A 408 -9.003 -7.180 15.294 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.225 -9.215 15.794 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.875 -9.805 15.854 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.529 -9.359 12.891 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.276 -10.015 11.613 1.00 0.52 C ATOM 1356 C GLN A 409 -6.795 -9.957 11.246 1.00 0.48 C ATOM 1357 O GLN A 409 -6.013 -9.264 11.900 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.099 -9.358 10.507 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.604 -9.405 10.743 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.224 -10.750 10.446 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -10.600 -11.798 10.599 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.465 -10.720 9.999 1.00 1.10 N ATOM 0 H GLN A 409 -8.375 -8.351 12.888 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.569 -11.060 11.714 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -8.790 -8.318 10.407 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.874 -9.850 9.560 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.808 -9.142 11.781 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.084 -8.649 10.122 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.945 -9.827 9.887 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -12.944 -11.590 9.765 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.416 -10.700 10.211 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.053 -10.647 9.684 1.00 0.41 C ATOM 1373 C ARG A 410 -4.852 -9.411 8.813 1.00 0.34 C ATOM 1374 O ARG A 410 -4.737 -8.293 9.314 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.690 -11.922 8.889 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.871 -12.798 8.460 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.779 -12.141 7.415 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.148 -12.032 6.090 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.813 -13.082 5.329 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -6.140 -14.313 5.701 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.186 -12.897 4.173 1.00 2.29 N ATOM 0 H ARG A 410 -7.032 -11.347 9.719 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.384 -10.587 10.542 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.138 -11.626 7.997 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.015 -12.526 9.496 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.489 -13.736 8.058 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.465 -13.047 9.339 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.699 -12.719 7.327 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.060 -11.146 7.760 1.00 0.62 H new ATOM 0 HE ARG A 410 -5.954 -11.098 5.729 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.650 -14.464 6.571 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.882 -15.108 5.116 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.958 -11.953 3.862 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.932 -13.699 3.596 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.838 -9.616 7.504 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.710 -8.523 6.554 1.00 0.15 C ATOM 1397 C LEU A 411 -6.082 -8.094 6.055 1.00 0.11 C ATOM 1398 O LEU A 411 -6.239 -7.677 4.907 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.803 -8.903 5.384 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.334 -9.104 5.752 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.884 -10.523 5.444 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.476 -8.105 5.003 1.00 0.16 C ATOM 0 H LEU A 411 -4.914 -10.538 7.074 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.246 -7.682 7.069 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.179 -9.822 4.934 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.869 -8.125 4.623 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.221 -8.941 6.824 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.835 -10.639 5.715 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.487 -11.228 6.016 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.007 -10.721 4.379 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.429 -8.253 5.269 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.602 -8.250 3.930 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.779 -7.093 5.270 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.080 -8.256 6.909 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.418 -7.793 6.605 1.00 0.10 C ATOM 1416 C LEU A 412 -8.547 -6.347 7.007 1.00 0.09 C ATOM 1417 O LEU A 412 -8.355 -5.995 8.167 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.464 -8.622 7.331 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.625 -9.080 6.470 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -10.939 -8.032 5.439 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.285 -10.399 5.818 1.00 0.15 C ATOM 0 H LEU A 412 -6.985 -8.706 7.819 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.586 -7.899 5.533 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -8.979 -9.500 7.758 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.856 -8.038 8.163 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.509 -9.222 7.092 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.774 -8.366 4.823 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.206 -7.100 5.937 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.065 -7.869 4.808 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.121 -10.726 5.200 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.399 -10.279 5.195 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.089 -11.146 6.588 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.868 -5.521 6.041 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.871 -4.084 6.248 1.00 0.10 C ATOM 1435 C PHE A 413 -10.204 -3.490 5.829 1.00 0.09 C ATOM 1436 O PHE A 413 -11.076 -4.186 5.307 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.756 -3.397 5.451 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.376 -3.972 5.622 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.020 -4.682 6.756 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.434 -3.800 4.629 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.752 -5.209 6.893 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.167 -4.324 4.757 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.825 -5.031 5.891 1.00 0.14 C ATOM 0 H PHE A 413 -9.132 -5.815 5.101 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.703 -3.914 7.311 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.016 -3.435 4.393 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.728 -2.345 5.735 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.744 -4.825 7.544 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.694 -3.247 3.739 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.488 -5.760 7.784 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.441 -4.181 3.970 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.832 -5.444 5.993 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.338 -2.196 6.044 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.545 -1.479 5.686 1.00 0.10 C ATOM 1455 C ARG A 414 -11.206 -0.139 5.047 1.00 0.09 C ATOM 1456 O ARG A 414 -10.529 0.690 5.657 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.405 -1.251 6.930 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.684 -0.485 6.659 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.488 -0.290 7.933 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.869 -1.558 8.547 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.103 -1.858 8.949 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.083 -0.964 8.849 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.353 -3.057 9.458 1.00 2.09 N ATOM 0 H ARG A 414 -9.616 -1.614 6.470 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.100 -2.080 4.965 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.657 -2.217 7.368 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.818 -0.709 7.671 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.445 0.486 6.225 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.285 -1.023 5.926 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.903 0.294 8.643 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.385 0.287 7.709 1.00 0.35 H new ATOM 0 HE ARG A 414 -14.142 -2.261 8.677 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.893 -0.040 8.462 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -18.025 -1.203 9.159 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.603 -3.743 9.540 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.296 -3.293 9.768 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.666 0.061 3.817 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.547 1.353 3.157 1.00 0.11 C ATOM 1479 C PHE A 415 -12.627 2.301 3.669 1.00 0.12 C ATOM 1480 O PHE A 415 -13.732 2.338 3.132 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.691 1.216 1.638 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.416 0.936 0.894 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.442 1.914 0.779 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.204 -0.291 0.282 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.283 1.676 0.071 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.042 -0.536 -0.426 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.080 0.451 -0.531 1.00 0.21 C ATOM 0 H PHE A 415 -12.125 -0.657 3.257 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.558 1.751 3.384 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.398 0.414 1.428 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.126 2.136 1.247 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.592 2.874 1.249 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.955 -1.063 0.360 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.533 2.449 -0.012 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.886 -1.496 -0.896 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.171 0.264 -1.083 1.00 0.21 H new ATOM 1497 N MET A 416 -12.306 3.065 4.698 1.00 0.14 N ATOM 1498 CA MET A 416 -13.265 3.991 5.295 1.00 0.17 C ATOM 1499 C MET A 416 -13.729 5.025 4.275 1.00 0.20 C ATOM 1500 O MET A 416 -14.888 5.442 4.274 1.00 0.29 O ATOM 1501 CB MET A 416 -12.647 4.688 6.503 1.00 0.23 C ATOM 1502 CG MET A 416 -12.385 3.763 7.680 1.00 0.30 C ATOM 1503 SD MET A 416 -13.905 3.127 8.414 1.00 1.30 S ATOM 1504 CE MET A 416 -14.688 4.652 8.937 1.00 1.23 C ATOM 0 H MET A 416 -11.388 3.066 5.142 1.00 0.14 H new ATOM 0 HA MET A 416 -14.132 3.417 5.622 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.708 5.151 6.202 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.310 5.491 6.825 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.768 2.927 7.350 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.816 4.299 8.439 1.00 0.30 H new ATOM 0 HE1 MET A 416 -15.170 4.501 9.903 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.936 5.436 9.025 1.00 1.23 H new ATOM 0 HE3 MET A 416 -15.436 4.948 8.201 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.819 5.432 3.404 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.148 6.358 2.337 1.00 0.21 C ATOM 1516 C LYS A 417 -12.467 5.951 1.040 1.00 0.22 C ATOM 1517 O LYS A 417 -11.533 5.148 1.035 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.772 7.794 2.718 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.362 7.957 3.252 1.00 0.18 C ATOM 1520 CD LYS A 417 -11.021 9.428 3.439 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.943 9.637 4.489 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.446 9.359 5.859 1.00 0.61 N ATOM 0 H LYS A 417 -11.844 5.133 3.417 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.227 6.322 2.183 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.890 8.431 1.842 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.475 8.152 3.470 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.266 7.433 4.203 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.652 7.499 2.563 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.687 9.846 2.489 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.919 9.974 3.729 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.095 8.986 4.274 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.579 10.663 4.437 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.661 9.430 6.538 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.181 10.052 6.106 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.848 8.400 5.893 1.00 0.61 H new ATOM 1536 N THR A 418 -12.976 6.486 -0.052 1.00 0.24 N ATOM 1537 CA THR A 418 -12.467 6.197 -1.382 1.00 0.26 C ATOM 1538 C THR A 418 -11.551 7.320 -1.865 1.00 0.23 C ATOM 1539 O THR A 418 -11.505 8.379 -1.240 1.00 0.21 O ATOM 1540 CB THR A 418 -13.631 6.017 -2.382 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.541 7.123 -2.292 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.378 4.721 -2.115 1.00 0.40 C ATOM 0 H THR A 418 -13.760 7.138 -0.043 1.00 0.24 H new ATOM 0 HA THR A 418 -11.896 5.270 -1.327 1.00 0.26 H new ATOM 0 HB THR A 418 -13.209 5.978 -3.386 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.049 7.061 -1.456 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.193 4.616 -2.831 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.694 3.879 -2.218 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.784 4.737 -1.104 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.805 7.093 -2.971 1.00 0.24 N ATOM 1551 CA PRO A 419 -9.933 8.101 -3.598 1.00 0.24 C ATOM 1552 C PRO A 419 -10.502 9.516 -3.555 1.00 0.28 C ATOM 1553 O PRO A 419 -9.853 10.439 -3.059 1.00 0.28 O ATOM 1554 CB PRO A 419 -9.878 7.609 -5.040 1.00 0.29 C ATOM 1555 CG PRO A 419 -9.918 6.125 -4.931 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.737 5.807 -3.705 1.00 0.28 C ATOM 0 HA PRO A 419 -8.973 8.183 -3.089 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.720 7.987 -5.620 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -8.970 7.946 -5.540 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.365 5.683 -5.821 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -8.912 5.715 -4.842 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.731 5.448 -3.972 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.268 5.029 -3.103 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.722 9.674 -4.060 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.361 10.987 -4.145 1.00 0.43 C ATOM 1566 C ASP A 420 -12.454 11.649 -2.770 1.00 0.40 C ATOM 1567 O ASP A 420 -12.216 12.847 -2.631 1.00 0.44 O ATOM 1568 CB ASP A 420 -13.760 10.861 -4.752 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.443 12.206 -4.921 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.279 12.834 -5.986 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.141 12.648 -3.983 1.00 0.85 O ATOM 0 H ASP A 420 -12.291 8.907 -4.418 1.00 0.34 H new ATOM 0 HA ASP A 420 -11.744 11.614 -4.788 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -13.689 10.369 -5.722 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.373 10.223 -4.115 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.770 10.849 -1.760 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.931 11.344 -0.400 1.00 0.35 C ATOM 1578 C GLU A 421 -11.580 11.680 0.230 1.00 0.32 C ATOM 1579 O GLU A 421 -11.475 12.568 1.073 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.653 10.301 0.443 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.064 10.025 -0.036 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.659 8.781 0.587 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.350 7.668 0.118 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.449 8.910 1.546 1.00 0.51 O ATOM 0 H GLU A 421 -12.921 9.845 -1.859 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.523 12.259 -0.436 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.082 9.372 0.429 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.687 10.639 1.479 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.697 10.881 0.197 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.061 9.917 -1.121 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.551 10.955 -0.179 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.213 11.136 0.369 1.00 0.24 C ATOM 1593 C ILE A 422 -8.537 12.377 -0.207 1.00 0.29 C ATOM 1594 O ILE A 422 -7.871 13.128 0.510 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.327 9.907 0.088 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.017 8.636 0.585 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.967 10.074 0.753 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.377 7.361 0.088 1.00 0.18 C ATOM 0 H ILE A 422 -10.616 10.230 -0.894 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.328 11.261 1.446 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.175 9.820 -0.988 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.012 8.633 1.675 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.061 8.654 0.271 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.351 9.199 0.547 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.476 10.964 0.359 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.099 10.179 1.830 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.921 6.503 0.482 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.406 7.340 -1.001 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.341 7.319 0.424 1.00 0.18 H new ATOM 1610 N MET A 423 -8.721 12.590 -1.506 1.00 0.36 N ATOM 1611 CA MET A 423 -8.074 13.689 -2.216 1.00 0.46 C ATOM 1612 C MET A 423 -8.649 15.054 -1.831 1.00 0.55 C ATOM 1613 O MET A 423 -8.334 16.064 -2.460 1.00 0.71 O ATOM 1614 CB MET A 423 -8.196 13.471 -3.723 1.00 0.56 C ATOM 1615 CG MET A 423 -7.451 12.240 -4.206 1.00 0.59 C ATOM 1616 SD MET A 423 -7.570 11.988 -5.986 1.00 0.83 S ATOM 1617 CE MET A 423 -9.293 11.532 -6.144 1.00 1.83 C ATOM 0 H MET A 423 -9.319 12.010 -2.094 1.00 0.36 H new ATOM 0 HA MET A 423 -7.023 13.693 -1.926 1.00 0.46 H new ATOM 0 HB2 MET A 423 -9.249 13.378 -3.987 1.00 0.56 H new ATOM 0 HB3 MET A 423 -7.813 14.349 -4.244 1.00 0.56 H new ATOM 0 HG2 MET A 423 -6.401 12.327 -3.928 1.00 0.59 H new ATOM 0 HG3 MET A 423 -7.845 11.362 -3.695 1.00 0.59 H new ATOM 0 HE1 MET A 423 -9.367 10.486 -6.442 1.00 1.83 H new ATOM 0 HE2 MET A 423 -9.796 11.673 -5.187 1.00 1.83 H new ATOM 0 HE3 MET A 423 -9.768 12.159 -6.899 1.00 1.83 H new ATOM 1627 N SER A 424 -9.478 15.080 -0.796 1.00 0.60 N ATOM 1628 CA SER A 424 -10.054 16.299 -0.299 1.00 0.72 C ATOM 1629 C SER A 424 -9.046 17.108 0.519 1.00 0.74 C ATOM 1630 O SER A 424 -9.263 18.293 0.779 1.00 0.94 O ATOM 1631 CB SER A 424 -11.253 15.935 0.560 1.00 1.07 C ATOM 1632 OG SER A 424 -12.169 15.136 -0.165 1.00 1.70 O ATOM 0 H SER A 424 -9.764 14.246 -0.283 1.00 0.60 H new ATOM 0 HA SER A 424 -10.356 16.923 -1.140 1.00 0.72 H new ATOM 0 HB2 SER A 424 -10.920 15.398 1.448 1.00 1.07 H new ATOM 0 HB3 SER A 424 -11.749 16.843 0.903 1.00 1.07 H new ATOM 0 HG SER A 424 -12.107 14.207 0.141 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.950 16.473 0.939 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.965 17.193 1.723 1.00 1.23 C ATOM 1640 C GLY A 425 -5.739 16.379 2.103 1.00 0.79 C ATOM 1641 O GLY A 425 -4.621 16.765 1.771 1.00 1.10 O ATOM 0 H GLY A 425 -7.732 15.494 0.754 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -6.643 18.069 1.161 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -7.440 17.556 2.634 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.944 15.245 2.774 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.841 14.513 3.423 1.00 0.47 C ATOM 1647 C ARG A 426 -3.858 13.881 2.436 1.00 0.40 C ATOM 1648 O ARG A 426 -2.908 13.212 2.846 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.385 13.412 4.330 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.314 13.908 5.414 1.00 1.03 C ATOM 1651 CD ARG A 426 -5.736 15.112 6.137 1.00 1.41 C ATOM 1652 NE ARG A 426 -6.709 15.735 7.029 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.541 16.924 7.601 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -5.461 17.648 7.335 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.469 17.407 8.416 1.00 2.85 N ATOM 0 H ARG A 426 -6.859 14.809 2.886 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.299 15.262 4.000 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -5.915 12.681 3.719 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -4.547 12.892 4.794 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.276 14.173 4.976 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.499 13.107 6.130 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -4.863 14.804 6.712 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.394 15.844 5.405 1.00 1.41 H new ATOM 0 HE ARG A 426 -7.571 15.227 7.226 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -4.755 17.293 6.689 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -5.337 18.559 7.776 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -8.313 16.867 8.605 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -7.339 18.319 8.854 1.00 2.85 H new ATOM 1669 N THR A 427 -4.078 14.083 1.154 1.00 0.36 N ATOM 1670 CA THR A 427 -3.231 13.490 0.139 1.00 0.33 C ATOM 1671 C THR A 427 -1.877 14.189 0.036 1.00 0.37 C ATOM 1672 O THR A 427 -0.932 13.627 -0.511 1.00 0.38 O ATOM 1673 CB THR A 427 -3.929 13.521 -1.223 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.539 14.806 -1.419 1.00 0.48 O ATOM 1675 CG2 THR A 427 -4.978 12.426 -1.313 1.00 0.33 C ATOM 0 H THR A 427 -4.839 14.655 0.788 1.00 0.36 H new ATOM 0 HA THR A 427 -3.052 12.457 0.438 1.00 0.33 H new ATOM 0 HB THR A 427 -3.188 13.348 -2.003 1.00 0.35 H new ATOM 0 HG1 THR A 427 -4.985 14.827 -2.292 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.462 12.465 -2.289 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.502 11.454 -1.183 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.724 12.572 -0.532 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.778 15.396 0.585 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.549 16.188 0.486 1.00 0.54 C ATOM 1685 C ASP A 428 0.626 15.461 1.136 1.00 0.55 C ATOM 1686 O ASP A 428 1.710 15.361 0.556 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.745 17.572 1.127 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.960 17.513 2.631 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -2.054 17.102 3.067 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.031 17.870 3.387 1.00 1.76 O ATOM 0 H ASP A 428 -2.531 15.849 1.103 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.321 16.323 -0.571 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.128 18.190 0.916 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.601 18.061 0.663 1.00 0.67 H new ATOM 1695 N ARG A 429 0.388 14.933 2.323 1.00 0.54 N ATOM 1696 CA ARG A 429 1.401 14.201 3.073 1.00 0.58 C ATOM 1697 C ARG A 429 1.690 12.859 2.419 1.00 0.45 C ATOM 1698 O ARG A 429 2.803 12.357 2.482 1.00 0.46 O ATOM 1699 CB ARG A 429 0.919 14.014 4.514 1.00 0.72 C ATOM 1700 CG ARG A 429 1.706 13.003 5.331 1.00 0.88 C ATOM 1701 CD ARG A 429 1.222 12.985 6.771 1.00 1.22 C ATOM 1702 NE ARG A 429 1.670 11.802 7.505 1.00 1.86 N ATOM 1703 CZ ARG A 429 1.687 11.716 8.837 1.00 2.48 C ATOM 1704 NH1 ARG A 429 1.379 12.772 9.581 1.00 2.68 N ATOM 1705 NH2 ARG A 429 2.028 10.576 9.420 1.00 3.43 N ATOM 0 H ARG A 429 -0.513 14.998 2.797 1.00 0.54 H new ATOM 0 HA ARG A 429 2.330 14.771 3.077 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.958 14.978 5.022 1.00 0.72 H new ATOM 0 HB3 ARG A 429 -0.127 13.707 4.494 1.00 0.72 H new ATOM 0 HG2 ARG A 429 1.598 12.011 4.893 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.767 13.251 5.302 1.00 0.88 H new ATOM 0 HD2 ARG A 429 1.579 13.880 7.281 1.00 1.22 H new ATOM 0 HD3 ARG A 429 0.133 13.024 6.784 1.00 1.22 H new ATOM 0 HE ARG A 429 1.988 10.995 6.968 1.00 1.86 H new ATOM 0 HH11 ARG A 429 1.128 13.654 9.135 1.00 2.68 H new ATOM 0 HH12 ARG A 429 1.394 12.701 10.598 1.00 2.68 H new ATOM 0 HH21 ARG A 429 2.277 9.767 8.851 1.00 3.43 H new ATOM 0 HH22 ARG A 429 2.042 10.508 10.438 1.00 3.43 H new ATOM 1719 N LEU A 430 0.687 12.304 1.765 1.00 0.38 N ATOM 1720 CA LEU A 430 0.807 11.005 1.133 1.00 0.32 C ATOM 1721 C LEU A 430 1.618 11.099 -0.149 1.00 0.30 C ATOM 1722 O LEU A 430 2.526 10.300 -0.381 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.580 10.465 0.839 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.463 10.293 2.067 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.849 9.828 1.651 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.819 9.311 3.038 1.00 0.61 C ATOM 0 H LEU A 430 -0.229 12.739 1.657 1.00 0.38 H new ATOM 0 HA LEU A 430 1.328 10.328 1.809 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.078 11.138 0.140 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.483 9.501 0.339 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.567 11.252 2.575 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.473 9.708 2.536 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.297 10.568 0.988 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.771 8.874 1.129 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.457 9.194 3.914 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.693 8.345 2.549 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.155 9.691 3.347 1.00 0.61 H new ATOM 1738 N GLU A 431 1.285 12.089 -0.967 1.00 0.31 N ATOM 1739 CA GLU A 431 2.020 12.362 -2.194 1.00 0.35 C ATOM 1740 C GLU A 431 3.484 12.644 -1.875 1.00 0.39 C ATOM 1741 O GLU A 431 4.383 12.326 -2.651 1.00 0.44 O ATOM 1742 CB GLU A 431 1.390 13.548 -2.909 1.00 0.39 C ATOM 1743 CG GLU A 431 0.029 13.239 -3.498 1.00 0.50 C ATOM 1744 CD GLU A 431 0.073 12.993 -4.989 1.00 1.35 C ATOM 1745 OE1 GLU A 431 0.531 11.903 -5.395 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.349 13.875 -5.761 1.00 2.30 O ATOM 0 H GLU A 431 0.503 12.722 -0.800 1.00 0.31 H new ATOM 0 HA GLU A 431 1.974 11.490 -2.847 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.295 14.377 -2.208 1.00 0.39 H new ATOM 0 HB3 GLU A 431 2.056 13.879 -3.706 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.384 12.361 -3.002 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.647 14.069 -3.292 1.00 0.50 H new ATOM 1753 N HIS A 432 3.702 13.231 -0.706 1.00 0.39 N ATOM 1754 CA HIS A 432 5.037 13.557 -0.232 1.00 0.45 C ATOM 1755 C HIS A 432 5.704 12.321 0.364 1.00 0.44 C ATOM 1756 O HIS A 432 6.917 12.137 0.254 1.00 0.52 O ATOM 1757 CB HIS A 432 4.936 14.653 0.833 1.00 0.50 C ATOM 1758 CG HIS A 432 6.210 15.395 1.080 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.505 16.609 0.496 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.258 15.097 1.873 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.684 17.023 0.922 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.160 16.123 1.759 1.00 0.77 N ATOM 0 H HIS A 432 2.957 13.494 -0.061 1.00 0.39 H new ATOM 0 HA HIS A 432 5.640 13.908 -1.069 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.168 15.365 0.532 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.605 14.203 1.769 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.367 14.214 2.485 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.174 17.941 0.634 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.055 16.181 2.244 1.00 0.77 H new ATOM 1771 N LEU A 433 4.895 11.481 0.994 1.00 0.39 N ATOM 1772 CA LEU A 433 5.391 10.331 1.726 1.00 0.40 C ATOM 1773 C LEU A 433 5.859 9.236 0.794 1.00 0.36 C ATOM 1774 O LEU A 433 6.864 8.603 1.069 1.00 0.35 O ATOM 1775 CB LEU A 433 4.309 9.775 2.651 1.00 0.53 C ATOM 1776 CG LEU A 433 4.819 9.117 3.937 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.519 7.798 3.644 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.761 10.059 4.662 1.00 0.73 C ATOM 0 H LEU A 433 3.880 11.579 1.010 1.00 0.39 H new ATOM 0 HA LEU A 433 6.241 10.670 2.318 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.634 10.587 2.921 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.722 9.043 2.097 1.00 0.53 H new ATOM 0 HG LEU A 433 3.960 8.906 4.573 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.869 7.357 4.577 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.821 7.115 3.159 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.369 7.976 2.985 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.119 9.584 5.575 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.609 10.293 4.018 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.233 10.978 4.915 1.00 0.73 H new ATOM 1790 N GLU A 434 5.132 9.004 -0.296 1.00 0.40 N ATOM 1791 CA GLU A 434 5.448 7.888 -1.191 1.00 0.45 C ATOM 1792 C GLU A 434 6.922 7.839 -1.551 1.00 0.45 C ATOM 1793 O GLU A 434 7.558 6.809 -1.396 1.00 0.56 O ATOM 1794 CB GLU A 434 4.603 7.919 -2.452 1.00 0.66 C ATOM 1795 CG GLU A 434 3.183 7.466 -2.203 1.00 0.80 C ATOM 1796 CD GLU A 434 2.393 7.296 -3.481 1.00 1.20 C ATOM 1797 OE1 GLU A 434 2.552 8.128 -4.402 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.641 6.310 -3.585 1.00 1.47 O ATOM 0 H GLU A 434 4.329 9.565 -0.581 1.00 0.40 H new ATOM 0 HA GLU A 434 5.207 6.980 -0.638 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.593 8.932 -2.855 1.00 0.66 H new ATOM 0 HB3 GLU A 434 5.059 7.279 -3.208 1.00 0.66 H new ATOM 0 HG2 GLU A 434 3.197 6.521 -1.661 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.681 8.192 -1.564 1.00 0.80 H new ATOM 1805 N SER A 435 7.479 8.952 -1.976 1.00 0.46 N ATOM 1806 CA SER A 435 8.881 8.992 -2.330 1.00 0.53 C ATOM 1807 C SER A 435 9.754 8.679 -1.119 1.00 0.50 C ATOM 1808 O SER A 435 10.824 8.084 -1.233 1.00 0.58 O ATOM 1809 CB SER A 435 9.204 10.372 -2.849 1.00 0.62 C ATOM 1810 OG SER A 435 8.193 11.300 -2.474 1.00 1.01 O ATOM 0 H SER A 435 6.985 9.838 -2.085 1.00 0.46 H new ATOM 0 HA SER A 435 9.082 8.242 -3.095 1.00 0.53 H new ATOM 0 HB2 SER A 435 10.167 10.697 -2.456 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.295 10.345 -3.935 1.00 0.62 H new ATOM 0 HG SER A 435 8.103 11.309 -1.498 1.00 1.01 H new ATOM 1816 N GLN A 436 9.266 9.079 0.040 1.00 0.43 N ATOM 1817 CA GLN A 436 10.002 8.945 1.285 1.00 0.48 C ATOM 1818 C GLN A 436 9.959 7.514 1.802 1.00 0.45 C ATOM 1819 O GLN A 436 10.973 6.980 2.226 1.00 0.51 O ATOM 1820 CB GLN A 436 9.458 9.911 2.331 1.00 0.52 C ATOM 1821 CG GLN A 436 9.672 11.370 1.966 1.00 0.77 C ATOM 1822 CD GLN A 436 9.292 12.313 3.087 1.00 0.77 C ATOM 1823 OE1 GLN A 436 8.399 12.026 3.883 1.00 1.27 O ATOM 1824 NE2 GLN A 436 9.968 13.446 3.159 1.00 1.38 N ATOM 0 H GLN A 436 8.346 9.507 0.146 1.00 0.43 H new ATOM 0 HA GLN A 436 11.044 9.195 1.088 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.392 9.729 2.465 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.938 9.708 3.288 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.719 11.525 1.705 1.00 0.77 H new ATOM 0 HG3 GLN A 436 9.084 11.609 1.080 1.00 0.77 H new ATOM 0 HE21 GLN A 436 10.702 13.646 2.479 1.00 1.38 H new ATOM 0 HE22 GLN A 436 9.756 14.120 3.894 1.00 1.38 H new ATOM 1833 N VAL A 437 8.778 6.901 1.766 1.00 0.38 N ATOM 1834 CA VAL A 437 8.619 5.514 2.195 1.00 0.38 C ATOM 1835 C VAL A 437 9.356 4.574 1.249 1.00 0.42 C ATOM 1836 O VAL A 437 9.894 3.547 1.660 1.00 0.49 O ATOM 1837 CB VAL A 437 7.127 5.106 2.307 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.331 5.551 1.093 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.991 3.606 2.494 1.00 0.38 C ATOM 0 H VAL A 437 7.917 7.343 1.444 1.00 0.38 H new ATOM 0 HA VAL A 437 9.056 5.432 3.190 1.00 0.38 H new ATOM 0 HB VAL A 437 6.720 5.612 3.183 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.291 5.247 1.209 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.384 6.636 1.001 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.746 5.090 0.197 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.936 3.343 2.570 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.433 3.091 1.641 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.507 3.305 3.406 1.00 0.38 H new ATOM 1849 N LEU A 438 9.412 4.950 -0.016 1.00 0.41 N ATOM 1850 CA LEU A 438 10.135 4.174 -1.009 1.00 0.48 C ATOM 1851 C LEU A 438 11.639 4.334 -0.805 1.00 0.55 C ATOM 1852 O LEU A 438 12.444 3.611 -1.389 1.00 0.62 O ATOM 1853 CB LEU A 438 9.705 4.608 -2.408 1.00 0.48 C ATOM 1854 CG LEU A 438 8.201 4.453 -2.667 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.831 4.900 -4.066 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.748 3.023 -2.422 1.00 0.54 C ATOM 0 H LEU A 438 8.964 5.790 -0.381 1.00 0.41 H new ATOM 0 HA LEU A 438 9.899 3.116 -0.895 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.985 5.651 -2.557 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.254 4.022 -3.145 1.00 0.48 H new ATOM 0 HG LEU A 438 7.680 5.100 -1.961 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.758 4.777 -4.216 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.097 5.949 -4.195 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.371 4.296 -4.796 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.678 2.943 -2.613 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.287 2.351 -3.089 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.953 2.749 -1.387 1.00 0.54 H new