USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 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 432 HIS : no HD1:sc= -0.104 X(o=-0.21,f=-0.014) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.104 X(o=-0.21,f=-0.26) USER MOD Set 2.1: A 401 ASN : amide:sc= -1.37 K(o=-0.16,f=-2.4) USER MOD Set 2.2: A 417 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.14) USER MOD Set 3.1: A 370 ASN : amide:sc= 0.96 K(o=0.96,f=-4.6!) USER MOD Set 3.2: A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 340 TYR OH : rot 80:sc= -2.21! USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 346 SER OG : rot -29:sc= 0.916 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.694 K(o=0.69,f=-0.19) USER MOD Single : A 359 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0592) USER MOD Single : A 361 SER OG : rot -1:sc= -3.15! USER MOD Single : A 362 LYS NZ :NH3+ 179:sc= 0.002 (180deg=0.00189) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -129:sc= 1.09 (180deg=0.666) USER MOD Single : A 381 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.23) USER MOD Single : A 387 TYR OH : rot -108:sc= 0.261 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 MET CE :methyl 139:sc= -2.67! (180deg=-3.65!) USER MOD Single : A 391 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 396 HIS : no HE2:sc= -0.52 K(o=-0.52,f=-1.8) USER MOD Single : A 397 TYR OH : rot 30:sc= -3.72! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ 159:sc= -1.83 (180deg=-2.51!) USER MOD Single : A 405 LYS NZ :NH3+ -167:sc= 0.028 (180deg=-0.165) USER MOD Single : A 409 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.4) USER MOD Single : A 416 MET CE :methyl -138:sc= -0.17 (180deg=-0.661) USER MOD Single : A 418 THR OG1 : rot -69:sc= 1.06 USER MOD Single : A 423 MET CE :methyl 156:sc= -0.778 (180deg=-1.62!) USER MOD Single : A 424 SER OG : rot -47:sc= 0.172 USER MOD Single : A 427 THR OG1 : rot 96:sc= 1.13 USER MOD Single : A 435 SER OG : rot 180:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.309 7.038 -6.150 1.00 1.08 N ATOM 81 CA LEU A 336 -1.724 6.670 -4.871 1.00 0.60 C ATOM 82 C LEU A 336 -1.894 5.182 -4.578 1.00 0.50 C ATOM 83 O LEU A 336 -2.586 4.470 -5.310 1.00 0.62 O ATOM 84 CB LEU A 336 -2.381 7.482 -3.750 1.00 0.36 C ATOM 85 CG LEU A 336 -2.031 8.972 -3.695 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.555 9.600 -2.413 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.540 9.182 -3.790 1.00 0.39 C ATOM 0 HA LEU A 336 -0.657 6.887 -4.921 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.462 7.388 -3.849 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -2.108 7.031 -2.796 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.507 9.455 -4.549 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.296 10.659 -2.394 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.639 9.491 -2.371 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.107 9.101 -1.554 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.319 10.249 -3.749 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.048 8.677 -2.959 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.174 8.772 -4.731 1.00 0.39 H new ATOM 99 N LEU A 337 -1.274 4.730 -3.492 1.00 0.39 N ATOM 100 CA LEU A 337 -1.383 3.348 -3.046 1.00 0.30 C ATOM 101 C LEU A 337 -2.840 2.917 -2.947 1.00 0.26 C ATOM 102 O LEU A 337 -3.235 1.945 -3.590 1.00 0.25 O ATOM 103 CB LEU A 337 -0.676 3.178 -1.691 1.00 0.32 C ATOM 104 CG LEU A 337 -1.087 1.959 -0.856 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.725 0.666 -1.554 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.425 2.012 0.511 1.00 0.39 C ATOM 0 H LEU A 337 -0.683 5.312 -2.898 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.897 2.709 -3.783 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.398 3.123 -1.870 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.855 4.075 -1.098 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.170 1.987 -0.734 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.030 -0.179 -0.936 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.237 0.616 -2.515 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.352 0.628 -1.714 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.725 1.141 1.094 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.658 2.013 0.391 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.733 2.920 1.030 1.00 0.39 H new ATOM 118 N TRP A 338 -3.642 3.661 -2.184 1.00 0.25 N ATOM 119 CA TRP A 338 -5.044 3.300 -1.970 1.00 0.24 C ATOM 120 C TRP A 338 -5.827 3.246 -3.281 1.00 0.24 C ATOM 121 O TRP A 338 -6.817 2.533 -3.381 1.00 0.24 O ATOM 122 CB TRP A 338 -5.733 4.229 -0.955 1.00 0.24 C ATOM 123 CG TRP A 338 -5.494 5.698 -1.170 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.725 6.514 -0.397 1.00 0.20 C ATOM 125 CD2 TRP A 338 -6.033 6.527 -2.207 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.741 7.789 -0.890 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.535 7.824 -2.004 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.881 6.299 -3.286 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.858 8.884 -2.845 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.197 7.350 -4.120 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.687 8.630 -3.896 1.00 0.28 C ATOM 0 H TRP A 338 -3.347 4.513 -1.706 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.041 2.296 -1.545 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.807 4.043 -0.986 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.393 3.964 0.046 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.180 6.199 0.481 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.242 8.585 -0.492 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.285 5.314 -3.467 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.465 9.875 -2.671 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.851 7.180 -4.962 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.954 9.433 -4.567 1.00 0.28 H new ATOM 142 N ASP A 339 -5.381 3.994 -4.283 1.00 0.25 N ATOM 143 CA ASP A 339 -6.058 4.019 -5.577 1.00 0.27 C ATOM 144 C ASP A 339 -5.660 2.798 -6.391 1.00 0.26 C ATOM 145 O ASP A 339 -6.487 2.183 -7.062 1.00 0.33 O ATOM 146 CB ASP A 339 -5.723 5.314 -6.331 1.00 0.36 C ATOM 147 CG ASP A 339 -6.353 5.399 -7.710 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.567 5.128 -7.824 1.00 1.80 O ATOM 149 OD2 ASP A 339 -5.640 5.718 -8.683 1.00 1.19 O ATOM 0 H ASP A 339 -4.556 4.591 -4.226 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.136 3.992 -5.417 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.054 6.166 -5.737 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.641 5.396 -6.430 1.00 0.36 H new ATOM 154 N TYR A 340 -4.390 2.434 -6.296 1.00 0.22 N ATOM 155 CA TYR A 340 -3.875 1.262 -6.981 1.00 0.20 C ATOM 156 C TYR A 340 -4.471 -0.016 -6.390 1.00 0.17 C ATOM 157 O TYR A 340 -4.938 -0.891 -7.120 1.00 0.17 O ATOM 158 CB TYR A 340 -2.349 1.222 -6.888 1.00 0.21 C ATOM 159 CG TYR A 340 -1.751 0.007 -7.545 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.620 -0.065 -8.923 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.334 -1.074 -6.782 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.089 -1.183 -9.529 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.797 -2.195 -7.378 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.680 -2.246 -8.755 1.00 0.24 C ATOM 165 OH TYR A 340 -0.162 -3.364 -9.362 1.00 0.28 O ATOM 0 H TYR A 340 -3.694 2.939 -5.747 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.164 1.325 -8.030 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.939 2.118 -7.353 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.054 1.243 -5.839 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.939 0.768 -9.531 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.431 -1.037 -5.707 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -0.994 -1.225 -10.604 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.470 -3.028 -6.773 1.00 0.18 H new ATOM 0 HH TYR A 340 0.775 -3.203 -9.599 1.00 0.28 H new ATOM 175 N VAL A 341 -4.451 -0.120 -5.065 1.00 0.17 N ATOM 176 CA VAL A 341 -4.999 -1.289 -4.381 1.00 0.15 C ATOM 177 C VAL A 341 -6.505 -1.404 -4.621 1.00 0.15 C ATOM 178 O VAL A 341 -7.030 -2.497 -4.844 1.00 0.15 O ATOM 179 CB VAL A 341 -4.687 -1.253 -2.863 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.041 0.089 -2.255 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.420 -2.359 -2.123 1.00 0.15 C ATOM 0 H VAL A 341 -4.062 0.589 -4.443 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.517 -2.172 -4.799 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.614 -1.410 -2.757 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.809 0.078 -1.190 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.464 0.874 -2.744 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.105 0.282 -2.393 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.180 -2.307 -1.061 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.495 -2.238 -2.259 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.111 -3.327 -2.517 1.00 0.15 H new ATOM 191 N TYR A 342 -7.184 -0.268 -4.607 1.00 0.17 N ATOM 192 CA TYR A 342 -8.610 -0.208 -4.909 1.00 0.17 C ATOM 193 C TYR A 342 -8.870 -0.657 -6.351 1.00 0.17 C ATOM 194 O TYR A 342 -9.908 -1.242 -6.654 1.00 0.18 O ATOM 195 CB TYR A 342 -9.105 1.221 -4.678 1.00 0.20 C ATOM 196 CG TYR A 342 -10.594 1.423 -4.817 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.491 0.808 -3.953 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.100 2.254 -5.807 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.851 1.013 -4.076 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.456 2.467 -5.932 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.328 1.845 -5.067 1.00 0.71 C ATOM 202 OH TYR A 342 -14.681 2.059 -5.189 1.00 0.92 O ATOM 0 H TYR A 342 -6.767 0.636 -4.387 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.156 -0.885 -4.252 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.805 1.533 -3.678 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.599 1.881 -5.383 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.119 0.160 -3.173 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.420 2.741 -6.490 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.537 0.525 -3.400 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -12.833 3.119 -6.706 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.849 2.671 -5.936 1.00 0.92 H new ATOM 212 N GLN A 343 -7.909 -0.386 -7.230 1.00 0.18 N ATOM 213 CA GLN A 343 -7.992 -0.812 -8.623 1.00 0.19 C ATOM 214 C GLN A 343 -7.842 -2.328 -8.738 1.00 0.18 C ATOM 215 O GLN A 343 -8.507 -2.965 -9.557 1.00 0.23 O ATOM 216 CB GLN A 343 -6.913 -0.115 -9.457 1.00 0.26 C ATOM 217 CG GLN A 343 -6.849 -0.598 -10.896 1.00 0.71 C ATOM 218 CD GLN A 343 -5.717 0.033 -11.680 1.00 1.41 C ATOM 219 OE1 GLN A 343 -4.679 0.394 -11.125 1.00 2.07 O ATOM 220 NE2 GLN A 343 -5.912 0.170 -12.980 1.00 2.22 N ATOM 0 H GLN A 343 -7.060 0.130 -7.000 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.974 -0.532 -9.005 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.099 0.959 -9.451 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.943 -0.273 -8.986 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.731 -1.682 -10.905 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.795 -0.376 -11.391 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -6.787 -0.143 -13.400 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -5.187 0.588 -13.563 1.00 2.22 H new ATOM 229 N LEU A 344 -6.986 -2.907 -7.895 1.00 0.16 N ATOM 230 CA LEU A 344 -6.731 -4.341 -7.930 1.00 0.15 C ATOM 231 C LEU A 344 -7.988 -5.084 -7.512 1.00 0.17 C ATOM 232 O LEU A 344 -8.274 -6.176 -7.994 1.00 0.24 O ATOM 233 CB LEU A 344 -5.578 -4.716 -6.995 1.00 0.15 C ATOM 234 CG LEU A 344 -4.240 -4.026 -7.270 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.224 -4.438 -6.223 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.725 -4.359 -8.663 1.00 0.19 C ATOM 0 H LEU A 344 -6.460 -2.402 -7.182 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.452 -4.620 -8.946 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.878 -4.489 -5.972 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.427 -5.794 -7.051 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.394 -2.948 -7.219 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.274 -3.944 -6.424 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.582 -4.148 -5.235 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.085 -5.519 -6.256 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.773 -3.854 -8.829 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.585 -5.436 -8.751 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.448 -4.025 -9.408 1.00 0.19 H new ATOM 248 N LEU A 345 -8.739 -4.451 -6.621 1.00 0.18 N ATOM 249 CA LEU A 345 -9.989 -4.996 -6.122 1.00 0.20 C ATOM 250 C LEU A 345 -11.050 -5.059 -7.221 1.00 0.25 C ATOM 251 O LEU A 345 -12.054 -5.762 -7.093 1.00 0.36 O ATOM 252 CB LEU A 345 -10.498 -4.136 -4.964 1.00 0.17 C ATOM 253 CG LEU A 345 -9.621 -4.145 -3.713 1.00 0.15 C ATOM 254 CD1 LEU A 345 -10.011 -3.026 -2.762 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.720 -5.484 -3.006 1.00 0.15 C ATOM 0 H LEU A 345 -8.496 -3.543 -6.225 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.801 -6.012 -5.776 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.596 -3.108 -5.312 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.497 -4.477 -4.691 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.590 -3.984 -4.027 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.370 -3.057 -1.881 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.893 -2.065 -3.263 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.050 -3.152 -2.459 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.089 -5.474 -2.117 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.754 -5.666 -2.715 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.387 -6.276 -3.678 1.00 0.15 H new ATOM 267 N SER A 346 -10.819 -4.323 -8.300 1.00 0.28 N ATOM 268 CA SER A 346 -11.792 -4.211 -9.373 1.00 0.35 C ATOM 269 C SER A 346 -11.497 -5.201 -10.500 1.00 0.36 C ATOM 270 O SER A 346 -12.194 -5.216 -11.518 1.00 0.54 O ATOM 271 CB SER A 346 -11.801 -2.774 -9.911 1.00 0.46 C ATOM 272 OG SER A 346 -12.713 -2.627 -10.989 1.00 1.06 O ATOM 0 H SER A 346 -9.961 -3.793 -8.454 1.00 0.28 H new ATOM 0 HA SER A 346 -12.776 -4.454 -8.972 1.00 0.35 H new ATOM 0 HB2 SER A 346 -12.070 -2.086 -9.109 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.799 -2.502 -10.242 1.00 0.46 H new ATOM 0 HG SER A 346 -12.800 -3.481 -11.463 1.00 1.06 H new ATOM 278 N ASP A 347 -10.480 -6.035 -10.325 1.00 0.32 N ATOM 279 CA ASP A 347 -10.089 -6.957 -11.380 1.00 0.34 C ATOM 280 C ASP A 347 -9.842 -8.352 -10.821 1.00 0.34 C ATOM 281 O ASP A 347 -9.153 -8.511 -9.815 1.00 0.43 O ATOM 282 CB ASP A 347 -8.839 -6.447 -12.093 1.00 0.41 C ATOM 283 CG ASP A 347 -8.862 -6.750 -13.577 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.448 -7.780 -13.969 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.276 -5.977 -14.360 1.00 1.18 O ATOM 0 H ASP A 347 -9.919 -6.092 -9.475 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.907 -7.017 -12.098 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.752 -5.371 -11.945 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -7.956 -6.902 -11.645 1.00 0.41 H new ATOM 290 N SER A 348 -10.393 -9.356 -11.492 1.00 0.40 N ATOM 291 CA SER A 348 -10.310 -10.735 -11.034 1.00 0.43 C ATOM 292 C SER A 348 -8.916 -11.325 -11.253 1.00 0.35 C ATOM 293 O SER A 348 -8.640 -12.458 -10.858 1.00 0.40 O ATOM 294 CB SER A 348 -11.364 -11.564 -11.763 1.00 0.59 C ATOM 295 OG SER A 348 -11.426 -11.207 -13.134 1.00 0.79 O ATOM 0 H SER A 348 -10.907 -9.237 -12.365 1.00 0.40 H new ATOM 0 HA SER A 348 -10.498 -10.756 -9.961 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.128 -12.624 -11.669 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.338 -11.412 -11.298 1.00 0.59 H new ATOM 0 HG SER A 348 -12.106 -11.751 -13.583 1.00 0.79 H new ATOM 301 N ARG A 349 -8.046 -10.554 -11.895 1.00 0.34 N ATOM 302 CA ARG A 349 -6.666 -10.952 -12.106 1.00 0.37 C ATOM 303 C ARG A 349 -5.968 -11.168 -10.775 1.00 0.31 C ATOM 304 O ARG A 349 -5.344 -12.198 -10.526 1.00 0.42 O ATOM 305 CB ARG A 349 -5.937 -9.861 -12.859 1.00 0.45 C ATOM 306 CG ARG A 349 -6.721 -9.316 -14.024 1.00 0.71 C ATOM 307 CD ARG A 349 -5.887 -8.378 -14.844 1.00 1.07 C ATOM 308 NE ARG A 349 -6.683 -7.716 -15.872 1.00 1.86 N ATOM 309 CZ ARG A 349 -6.598 -7.971 -17.175 1.00 2.54 C ATOM 310 NH1 ARG A 349 -5.727 -8.858 -17.632 1.00 2.75 N ATOM 311 NH2 ARG A 349 -7.393 -7.337 -18.025 1.00 3.43 N ATOM 0 H ARG A 349 -8.280 -9.639 -12.281 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.656 -11.881 -12.677 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.706 -9.047 -12.172 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -4.986 -10.252 -13.221 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.069 -10.139 -14.649 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.607 -8.796 -13.659 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.434 -7.629 -14.194 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -5.071 -8.929 -15.312 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.352 -7.008 -15.570 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -5.114 -9.352 -16.983 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -5.669 -9.047 -18.633 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -8.068 -6.655 -17.680 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -7.329 -7.531 -19.024 1.00 3.43 H new ATOM 325 N TYR A 350 -6.103 -10.172 -9.917 1.00 0.26 N ATOM 326 CA TYR A 350 -5.365 -10.119 -8.673 1.00 0.30 C ATOM 327 C TYR A 350 -6.121 -10.759 -7.516 1.00 0.24 C ATOM 328 O TYR A 350 -5.851 -10.439 -6.371 1.00 0.25 O ATOM 329 CB TYR A 350 -5.068 -8.661 -8.331 1.00 0.40 C ATOM 330 CG TYR A 350 -4.725 -7.843 -9.547 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.465 -7.908 -10.111 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.674 -7.025 -10.144 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.154 -7.179 -11.235 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.372 -6.293 -11.273 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.108 -6.370 -11.815 1.00 0.63 C ATOM 336 OH TYR A 350 -3.798 -5.643 -12.940 1.00 0.72 O ATOM 0 H TYR A 350 -6.727 -9.379 -10.065 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.444 -10.684 -8.814 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -5.935 -8.224 -7.835 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.240 -8.618 -7.623 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.713 -8.541 -9.662 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.664 -6.961 -9.718 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.164 -7.240 -11.663 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.122 -5.663 -11.729 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.582 -5.127 -13.222 1.00 0.72 H new ATOM 346 N GLU A 351 -7.044 -11.672 -7.797 1.00 0.22 N ATOM 347 CA GLU A 351 -7.843 -12.282 -6.730 1.00 0.23 C ATOM 348 C GLU A 351 -6.969 -13.093 -5.767 1.00 0.21 C ATOM 349 O GLU A 351 -7.324 -13.299 -4.605 1.00 0.25 O ATOM 350 CB GLU A 351 -8.952 -13.169 -7.299 1.00 0.31 C ATOM 351 CG GLU A 351 -8.451 -14.366 -8.089 1.00 0.36 C ATOM 352 CD GLU A 351 -9.547 -15.376 -8.357 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.244 -15.235 -9.386 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.716 -16.316 -7.553 1.00 1.45 O ATOM 0 H GLU A 351 -7.259 -12.005 -8.737 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.303 -11.465 -6.174 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.574 -13.525 -6.478 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.590 -12.564 -7.943 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.035 -14.025 -9.037 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.642 -14.848 -7.540 1.00 0.36 H new ATOM 361 N ASN A 352 -5.827 -13.557 -6.257 1.00 0.22 N ATOM 362 CA ASN A 352 -4.886 -14.306 -5.439 1.00 0.24 C ATOM 363 C ASN A 352 -3.991 -13.335 -4.680 1.00 0.19 C ATOM 364 O ASN A 352 -3.237 -13.722 -3.797 1.00 0.21 O ATOM 365 CB ASN A 352 -4.038 -15.218 -6.317 1.00 0.32 C ATOM 366 CG ASN A 352 -3.507 -16.451 -5.601 1.00 0.62 C ATOM 367 OD1 ASN A 352 -3.356 -17.505 -6.215 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.194 -16.332 -4.324 1.00 1.06 N ATOM 0 H ASN A 352 -5.530 -13.426 -7.224 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.438 -14.921 -4.728 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -4.633 -15.536 -7.173 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.196 -14.647 -6.708 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -2.814 -17.130 -3.816 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.333 -15.442 -3.846 1.00 1.06 H new ATOM 375 N PHE A 353 -4.091 -12.067 -5.038 1.00 0.16 N ATOM 376 CA PHE A 353 -3.313 -11.021 -4.396 1.00 0.14 C ATOM 377 C PHE A 353 -4.185 -10.260 -3.414 1.00 0.12 C ATOM 378 O PHE A 353 -3.775 -9.975 -2.292 1.00 0.11 O ATOM 379 CB PHE A 353 -2.754 -10.049 -5.439 1.00 0.16 C ATOM 380 CG PHE A 353 -1.816 -10.677 -6.433 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.303 -11.373 -7.527 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.448 -10.554 -6.278 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.441 -11.940 -8.445 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.421 -11.115 -7.193 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.077 -11.810 -8.278 1.00 0.29 C ATOM 0 H PHE A 353 -4.710 -11.734 -5.777 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.482 -11.485 -3.865 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.586 -9.596 -5.979 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.232 -9.243 -4.924 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.370 -11.473 -7.664 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.054 -10.012 -5.431 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.833 -12.484 -9.292 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.488 -11.011 -7.061 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.600 -12.251 -8.995 1.00 0.29 H new ATOM 395 N ILE A 354 -5.394 -9.935 -3.849 1.00 0.11 N ATOM 396 CA ILE A 354 -6.332 -9.183 -3.042 1.00 0.11 C ATOM 397 C ILE A 354 -7.762 -9.427 -3.528 1.00 0.12 C ATOM 398 O ILE A 354 -7.982 -9.662 -4.715 1.00 0.16 O ATOM 399 CB ILE A 354 -5.993 -7.682 -3.098 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.745 -6.930 -2.013 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.305 -7.099 -4.472 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.223 -5.537 -1.795 1.00 0.12 C ATOM 0 H ILE A 354 -5.748 -10.187 -4.772 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.256 -9.519 -2.008 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.923 -7.569 -2.923 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.801 -6.879 -2.279 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.678 -7.488 -1.079 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -6.056 -6.038 -4.482 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.717 -7.617 -5.229 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.366 -7.225 -4.688 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.800 -5.051 -1.008 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.175 -5.583 -1.500 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.315 -4.965 -2.718 1.00 0.12 H new ATOM 414 N ARG A 355 -8.727 -9.413 -2.616 1.00 0.12 N ATOM 415 CA ARG A 355 -10.124 -9.597 -2.992 1.00 0.14 C ATOM 416 C ARG A 355 -11.060 -8.967 -1.964 1.00 0.14 C ATOM 417 O ARG A 355 -10.715 -8.832 -0.787 1.00 0.15 O ATOM 418 CB ARG A 355 -10.444 -11.085 -3.161 1.00 0.18 C ATOM 419 CG ARG A 355 -10.242 -11.904 -1.902 1.00 0.24 C ATOM 420 CD ARG A 355 -10.534 -13.377 -2.135 1.00 0.40 C ATOM 421 NE ARG A 355 -9.705 -13.955 -3.193 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.160 -14.799 -4.122 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.462 -15.037 -4.235 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.312 -15.368 -4.968 1.00 2.39 N ATOM 0 H ARG A 355 -8.570 -9.277 -1.617 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.282 -9.094 -3.946 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.479 -11.189 -3.488 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.817 -11.494 -3.953 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.216 -11.787 -1.553 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.892 -11.525 -1.113 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -10.370 -13.927 -1.208 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -11.585 -13.498 -2.395 1.00 0.40 H new ATOM 0 HE ARG A 355 -8.719 -13.697 -3.223 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.121 -14.574 -3.610 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.802 -15.683 -4.947 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.315 -15.160 -4.908 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -9.657 -16.013 -5.679 1.00 2.39 H new ATOM 438 N TRP A 356 -12.234 -8.566 -2.432 1.00 0.15 N ATOM 439 CA TRP A 356 -13.269 -8.006 -1.573 1.00 0.16 C ATOM 440 C TRP A 356 -13.871 -9.059 -0.652 1.00 0.18 C ATOM 441 O TRP A 356 -14.234 -10.150 -1.091 1.00 0.25 O ATOM 442 CB TRP A 356 -14.387 -7.398 -2.419 1.00 0.18 C ATOM 443 CG TRP A 356 -14.055 -6.055 -2.981 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.858 -5.729 -4.291 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.884 -4.851 -2.238 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.595 -4.386 -4.401 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.604 -3.828 -3.152 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.948 -4.538 -0.883 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.393 -2.516 -2.749 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.732 -3.238 -0.488 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.460 -2.239 -1.418 1.00 0.20 C ATOM 0 H TRP A 356 -12.496 -8.619 -3.416 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.796 -7.237 -0.962 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.620 -8.077 -3.239 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.287 -7.314 -1.809 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.902 -6.423 -5.117 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.421 -3.885 -5.273 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.164 -5.304 -0.153 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.182 -1.739 -3.469 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.774 -2.988 0.562 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.299 -1.227 -1.078 1.00 0.20 H new ATOM 462 N GLU A 357 -13.977 -8.715 0.623 1.00 0.18 N ATOM 463 CA GLU A 357 -14.652 -9.555 1.597 1.00 0.22 C ATOM 464 C GLU A 357 -16.084 -9.070 1.785 1.00 0.22 C ATOM 465 O GLU A 357 -17.036 -9.842 1.681 1.00 0.31 O ATOM 466 CB GLU A 357 -13.907 -9.526 2.924 1.00 0.25 C ATOM 467 CG GLU A 357 -12.595 -10.285 2.898 1.00 0.52 C ATOM 468 CD GLU A 357 -12.789 -11.781 2.755 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.409 -12.384 3.657 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.319 -12.354 1.751 1.00 0.79 O ATOM 0 H GLU A 357 -13.599 -7.850 1.009 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.668 -10.582 1.233 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.713 -8.490 3.200 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.546 -9.948 3.700 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -11.985 -9.921 2.071 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.043 -10.080 3.815 1.00 0.52 H new ATOM 477 N ASP A 358 -16.221 -7.781 2.064 1.00 0.19 N ATOM 478 CA ASP A 358 -17.523 -7.139 2.137 1.00 0.22 C ATOM 479 C ASP A 358 -17.476 -5.836 1.358 1.00 0.20 C ATOM 480 O ASP A 358 -16.897 -4.850 1.806 1.00 0.22 O ATOM 481 CB ASP A 358 -17.955 -6.876 3.586 1.00 0.28 C ATOM 482 CG ASP A 358 -18.122 -8.151 4.393 1.00 1.02 C ATOM 483 OD1 ASP A 358 -17.126 -8.610 4.999 1.00 2.07 O ATOM 484 OD2 ASP A 358 -19.240 -8.703 4.428 1.00 1.30 O ATOM 0 H ASP A 358 -15.436 -7.155 2.245 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.262 -7.812 1.701 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.215 -6.239 4.071 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.896 -6.326 3.585 1.00 0.28 H new ATOM 489 N LYS A 359 -18.081 -5.849 0.185 1.00 0.23 N ATOM 490 CA LYS A 359 -17.979 -4.743 -0.751 1.00 0.26 C ATOM 491 C LYS A 359 -18.653 -3.487 -0.225 1.00 0.28 C ATOM 492 O LYS A 359 -18.165 -2.379 -0.442 1.00 0.33 O ATOM 493 CB LYS A 359 -18.612 -5.123 -2.080 1.00 0.35 C ATOM 494 CG LYS A 359 -18.267 -4.165 -3.199 1.00 0.41 C ATOM 495 CD LYS A 359 -17.137 -4.708 -4.057 1.00 0.60 C ATOM 496 CE LYS A 359 -16.938 -3.887 -5.320 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.018 -4.127 -6.310 1.00 1.65 N ATOM 0 H LYS A 359 -18.656 -6.624 -0.146 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.918 -4.532 -0.884 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -18.288 -6.126 -2.356 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -19.695 -5.159 -1.962 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -19.147 -3.993 -3.818 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -17.978 -3.201 -2.780 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.213 -4.714 -3.479 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -17.351 -5.742 -4.327 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.908 -2.828 -5.064 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -15.975 -4.134 -5.766 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -17.778 -3.657 -7.206 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -18.120 -5.149 -6.472 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.914 -3.743 -5.947 1.00 1.65 H new ATOM 511 N GLU A 360 -19.763 -3.654 0.474 1.00 0.32 N ATOM 512 CA GLU A 360 -20.566 -2.520 0.867 1.00 0.36 C ATOM 513 C GLU A 360 -19.940 -1.807 2.056 1.00 0.34 C ATOM 514 O GLU A 360 -19.977 -0.579 2.161 1.00 0.42 O ATOM 515 CB GLU A 360 -21.983 -2.959 1.209 1.00 0.45 C ATOM 516 CG GLU A 360 -22.963 -1.812 1.161 1.00 0.94 C ATOM 517 CD GLU A 360 -23.211 -1.339 -0.256 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.117 -1.886 -0.916 1.00 1.40 O ATOM 519 OE2 GLU A 360 -22.490 -0.434 -0.727 1.00 1.33 O ATOM 0 H GLU A 360 -20.123 -4.559 0.777 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.608 -1.827 0.026 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.300 -3.734 0.511 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.994 -3.402 2.205 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -23.906 -2.122 1.610 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.582 -0.984 1.759 1.00 0.94 H new ATOM 526 N SER A 361 -19.373 -2.590 2.949 1.00 0.28 N ATOM 527 CA SER A 361 -18.671 -2.063 4.099 1.00 0.27 C ATOM 528 C SER A 361 -17.287 -1.565 3.701 1.00 0.23 C ATOM 529 O SER A 361 -16.637 -0.835 4.454 1.00 0.25 O ATOM 530 CB SER A 361 -18.527 -3.161 5.139 1.00 0.29 C ATOM 531 OG SER A 361 -17.870 -4.272 4.586 1.00 1.10 O ATOM 0 H SER A 361 -19.386 -3.609 2.898 1.00 0.28 H new ATOM 0 HA SER A 361 -19.240 -1.228 4.507 1.00 0.27 H new ATOM 0 HB2 SER A 361 -17.967 -2.788 5.996 1.00 0.29 H new ATOM 0 HB3 SER A 361 -19.510 -3.456 5.505 1.00 0.29 H new ATOM 0 HG SER A 361 -17.662 -4.094 3.645 1.00 1.10 H new ATOM 537 N LYS A 362 -16.862 -1.966 2.497 1.00 0.20 N ATOM 538 CA LYS A 362 -15.535 -1.659 1.967 1.00 0.19 C ATOM 539 C LYS A 362 -14.467 -2.461 2.716 1.00 0.15 C ATOM 540 O LYS A 362 -13.313 -2.042 2.825 1.00 0.16 O ATOM 541 CB LYS A 362 -15.237 -0.152 2.028 1.00 0.24 C ATOM 542 CG LYS A 362 -16.365 0.721 1.491 1.00 0.33 C ATOM 543 CD LYS A 362 -16.655 0.457 0.026 1.00 0.46 C ATOM 544 CE LYS A 362 -18.019 1.008 -0.357 1.00 1.22 C ATOM 545 NZ LYS A 362 -18.433 0.597 -1.725 1.00 1.83 N ATOM 0 H LYS A 362 -17.437 -2.517 1.860 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.515 -1.949 0.917 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.035 0.127 3.062 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.330 0.053 1.460 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.268 0.543 2.075 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.102 1.771 1.623 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.884 0.918 -0.592 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.622 -0.615 -0.170 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -18.762 0.664 0.363 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -17.998 2.096 -0.298 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -19.376 0.983 -1.933 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.749 0.961 -2.419 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -18.464 -0.441 -1.781 1.00 1.83 H new ATOM 559 N ILE A 363 -14.874 -3.623 3.227 1.00 0.14 N ATOM 560 CA ILE A 363 -13.964 -4.545 3.907 1.00 0.13 C ATOM 561 C ILE A 363 -13.269 -5.402 2.851 1.00 0.11 C ATOM 562 O ILE A 363 -13.925 -6.144 2.114 1.00 0.14 O ATOM 563 CB ILE A 363 -14.702 -5.486 4.918 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.239 -4.752 6.162 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.762 -6.581 5.388 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.445 -3.282 5.995 1.00 0.19 C ATOM 0 H ILE A 363 -15.839 -3.951 3.182 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.251 -3.950 4.478 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.555 -5.895 4.376 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -16.188 -5.205 6.450 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.545 -4.914 6.987 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.283 -7.231 6.091 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.428 -7.166 4.531 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.899 -6.133 5.880 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.824 -2.860 6.926 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.497 -2.808 5.741 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.165 -3.104 5.196 1.00 0.19 H new ATOM 578 N PHE A 364 -11.954 -5.305 2.772 1.00 0.09 N ATOM 579 CA PHE A 364 -11.212 -5.969 1.713 1.00 0.08 C ATOM 580 C PHE A 364 -10.046 -6.758 2.297 1.00 0.08 C ATOM 581 O PHE A 364 -9.413 -6.326 3.262 1.00 0.09 O ATOM 582 CB PHE A 364 -10.717 -4.945 0.682 1.00 0.09 C ATOM 583 CG PHE A 364 -9.509 -4.157 1.108 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.616 -3.128 2.028 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.266 -4.448 0.577 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.499 -2.406 2.409 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.148 -3.732 0.952 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.262 -2.709 1.866 1.00 0.10 C ATOM 0 H PHE A 364 -11.378 -4.775 3.426 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.877 -6.668 1.206 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.484 -5.468 -0.246 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.528 -4.250 0.462 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.580 -2.887 2.452 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.169 -5.248 -0.142 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.592 -1.607 3.129 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.184 -3.974 0.529 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.389 -2.144 2.159 1.00 0.10 H new ATOM 598 N ARG A 365 -9.768 -7.914 1.721 1.00 0.08 N ATOM 599 CA ARG A 365 -8.706 -8.768 2.219 1.00 0.09 C ATOM 600 C ARG A 365 -7.527 -8.771 1.276 1.00 0.09 C ATOM 601 O ARG A 365 -7.673 -9.036 0.081 1.00 0.10 O ATOM 602 CB ARG A 365 -9.188 -10.209 2.407 1.00 0.13 C ATOM 603 CG ARG A 365 -8.048 -11.216 2.510 1.00 0.20 C ATOM 604 CD ARG A 365 -8.543 -12.652 2.514 1.00 0.26 C ATOM 605 NE ARG A 365 -9.023 -13.080 3.831 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.895 -14.074 4.018 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.483 -14.646 2.977 1.00 1.04 N ATOM 608 NH2 ARG A 365 -10.206 -14.469 5.247 1.00 1.14 N ATOM 0 H ARG A 365 -10.263 -8.282 0.909 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.402 -8.363 3.184 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.797 -10.267 3.309 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.831 -10.482 1.570 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.364 -11.073 1.674 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.481 -11.027 3.422 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.348 -12.757 1.787 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.736 -13.311 2.194 1.00 0.26 H new ATOM 0 HE ARG A 365 -8.670 -12.590 4.653 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -10.270 -14.327 2.032 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.149 -15.405 3.121 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -9.778 -14.013 6.053 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -10.873 -15.229 5.385 1.00 1.14 H new ATOM 622 N ILE A 366 -6.362 -8.491 1.814 1.00 0.09 N ATOM 623 CA ILE A 366 -5.145 -8.702 1.077 1.00 0.09 C ATOM 624 C ILE A 366 -4.787 -10.174 1.155 1.00 0.09 C ATOM 625 O ILE A 366 -4.490 -10.711 2.226 1.00 0.12 O ATOM 626 CB ILE A 366 -4.011 -7.799 1.590 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.310 -6.357 1.160 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.662 -8.282 1.075 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.280 -5.340 1.587 1.00 0.12 C ATOM 0 H ILE A 366 -6.235 -8.118 2.755 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.293 -8.427 0.033 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.958 -7.840 2.678 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.399 -6.328 0.074 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.278 -6.065 1.567 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.874 -7.629 1.450 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.484 -9.300 1.420 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.661 -8.263 -0.015 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.578 -4.352 1.237 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.205 -5.333 2.674 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.312 -5.600 1.158 1.00 0.12 H new ATOM 641 N VAL A 367 -4.884 -10.820 0.011 1.00 0.10 N ATOM 642 CA VAL A 367 -4.800 -12.265 -0.089 1.00 0.12 C ATOM 643 C VAL A 367 -3.351 -12.733 -0.077 1.00 0.13 C ATOM 644 O VAL A 367 -2.981 -13.619 0.693 1.00 0.19 O ATOM 645 CB VAL A 367 -5.510 -12.740 -1.372 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.316 -14.222 -1.593 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.990 -12.410 -1.311 1.00 0.20 C ATOM 0 H VAL A 367 -5.025 -10.353 -0.885 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.297 -12.701 0.778 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.062 -12.212 -2.214 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.829 -14.524 -2.506 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.252 -14.440 -1.686 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.726 -14.773 -0.747 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.477 -12.752 -2.224 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.439 -12.909 -0.452 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.119 -11.332 -1.213 1.00 0.20 H new ATOM 657 N ASP A 368 -2.537 -12.119 -0.919 1.00 0.12 N ATOM 658 CA ASP A 368 -1.114 -12.413 -0.955 1.00 0.13 C ATOM 659 C ASP A 368 -0.334 -11.120 -0.834 1.00 0.12 C ATOM 660 O ASP A 368 -0.018 -10.465 -1.826 1.00 0.12 O ATOM 661 CB ASP A 368 -0.719 -13.154 -2.234 1.00 0.18 C ATOM 662 CG ASP A 368 0.682 -13.723 -2.149 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.657 -12.968 -2.372 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.816 -14.924 -1.829 1.00 0.52 O ATOM 0 H ASP A 368 -2.838 -11.411 -1.589 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.878 -13.068 -0.117 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.428 -13.961 -2.419 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.783 -12.473 -3.082 1.00 0.18 H new ATOM 669 N PRO A 369 -0.054 -10.727 0.407 1.00 0.11 N ATOM 670 CA PRO A 369 0.588 -9.461 0.731 1.00 0.11 C ATOM 671 C PRO A 369 1.924 -9.237 0.029 1.00 0.12 C ATOM 672 O PRO A 369 2.249 -8.109 -0.339 1.00 0.14 O ATOM 673 CB PRO A 369 0.768 -9.547 2.247 1.00 0.13 C ATOM 674 CG PRO A 369 -0.320 -10.434 2.674 1.00 0.13 C ATOM 675 CD PRO A 369 -0.385 -11.477 1.619 1.00 0.13 C ATOM 0 HA PRO A 369 -0.012 -8.615 0.396 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.744 -9.953 2.512 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.693 -8.566 2.716 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.116 -10.871 3.652 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.263 -9.894 2.757 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.324 -12.284 1.803 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.374 -11.930 1.558 1.00 0.13 H new ATOM 683 N ASN A 370 2.693 -10.301 -0.161 1.00 0.15 N ATOM 684 CA ASN A 370 3.986 -10.188 -0.837 1.00 0.18 C ATOM 685 C ASN A 370 3.780 -9.729 -2.270 1.00 0.16 C ATOM 686 O ASN A 370 4.427 -8.794 -2.740 1.00 0.17 O ATOM 687 CB ASN A 370 4.731 -11.525 -0.831 1.00 0.25 C ATOM 688 CG ASN A 370 6.155 -11.405 -1.349 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.410 -11.554 -2.544 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.093 -11.147 -0.450 1.00 0.99 N ATOM 0 H ASN A 370 2.450 -11.245 0.139 1.00 0.15 H new ATOM 0 HA ASN A 370 4.587 -9.456 -0.298 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.750 -11.921 0.184 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.185 -12.243 -1.443 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.068 -11.065 -0.739 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.841 -11.030 0.531 1.00 0.99 H new ATOM 697 N GLY A 371 2.855 -10.387 -2.947 1.00 0.16 N ATOM 698 CA GLY A 371 2.535 -10.028 -4.312 1.00 0.17 C ATOM 699 C GLY A 371 1.833 -8.689 -4.401 1.00 0.14 C ATOM 700 O GLY A 371 2.070 -7.926 -5.334 1.00 0.16 O ATOM 0 H GLY A 371 2.316 -11.168 -2.574 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.451 -9.996 -4.902 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.901 -10.799 -4.750 1.00 0.17 H new ATOM 704 N LEU A 372 0.973 -8.402 -3.427 1.00 0.13 N ATOM 705 CA LEU A 372 0.272 -7.120 -3.366 1.00 0.12 C ATOM 706 C LEU A 372 1.294 -5.988 -3.290 1.00 0.12 C ATOM 707 O LEU A 372 1.228 -5.014 -4.044 1.00 0.12 O ATOM 708 CB LEU A 372 -0.651 -7.090 -2.138 1.00 0.12 C ATOM 709 CG LEU A 372 -1.917 -6.226 -2.255 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.584 -4.753 -2.426 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.774 -6.710 -3.412 1.00 0.14 C ATOM 0 H LEU A 372 0.744 -9.042 -2.666 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.336 -6.992 -4.262 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.955 -8.113 -1.914 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.073 -6.735 -1.285 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.475 -6.329 -1.324 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.507 -4.178 -2.505 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.013 -4.407 -1.564 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.993 -4.616 -3.332 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.668 -6.091 -3.486 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.206 -6.640 -4.340 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -3.063 -7.747 -3.242 1.00 0.14 H new ATOM 723 N ALA A 373 2.252 -6.148 -2.384 1.00 0.13 N ATOM 724 CA ALA A 373 3.338 -5.191 -2.214 1.00 0.16 C ATOM 725 C ALA A 373 4.162 -5.071 -3.489 1.00 0.18 C ATOM 726 O ALA A 373 4.586 -3.980 -3.865 1.00 0.22 O ATOM 727 CB ALA A 373 4.219 -5.630 -1.066 1.00 0.18 C ATOM 0 H ALA A 373 2.297 -6.944 -1.748 1.00 0.13 H new ATOM 0 HA ALA A 373 2.911 -4.212 -1.994 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.032 -4.915 -0.937 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.628 -5.676 -0.151 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.633 -6.615 -1.281 1.00 0.18 H new ATOM 733 N ARG A 374 4.377 -6.200 -4.155 1.00 0.19 N ATOM 734 CA ARG A 374 5.177 -6.225 -5.369 1.00 0.24 C ATOM 735 C ARG A 374 4.435 -5.629 -6.560 1.00 0.19 C ATOM 736 O ARG A 374 5.052 -5.047 -7.454 1.00 0.21 O ATOM 737 CB ARG A 374 5.647 -7.624 -5.665 1.00 0.33 C ATOM 738 CG ARG A 374 6.933 -7.925 -4.932 1.00 0.67 C ATOM 739 CD ARG A 374 7.097 -9.396 -4.744 1.00 0.92 C ATOM 740 NE ARG A 374 7.434 -10.077 -5.993 1.00 1.47 N ATOM 741 CZ ARG A 374 7.470 -11.400 -6.142 1.00 1.99 C ATOM 742 NH1 ARG A 374 7.183 -12.202 -5.121 1.00 2.45 N ATOM 743 NH2 ARG A 374 7.796 -11.918 -7.318 1.00 2.67 N ATOM 0 H ARG A 374 4.008 -7.108 -3.873 1.00 0.19 H new ATOM 0 HA ARG A 374 6.051 -5.596 -5.197 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.880 -8.340 -5.371 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.799 -7.742 -6.738 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.779 -7.528 -5.493 1.00 0.67 H new ATOM 0 HG3 ARG A 374 6.931 -7.427 -3.963 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.879 -9.582 -4.008 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.175 -9.814 -4.341 1.00 0.92 H new ATOM 0 HE ARG A 374 7.656 -9.500 -6.804 1.00 1.47 H new ATOM 0 HH11 ARG A 374 6.933 -11.805 -4.215 1.00 2.45 H new ATOM 0 HH12 ARG A 374 7.213 -13.214 -5.243 1.00 2.45 H new ATOM 0 HH21 ARG A 374 8.017 -11.304 -8.102 1.00 2.67 H new ATOM 0 HH22 ARG A 374 7.825 -12.930 -7.439 1.00 2.67 H new ATOM 757 N LEU A 375 3.116 -5.786 -6.579 1.00 0.17 N ATOM 758 CA LEU A 375 2.276 -5.119 -7.568 1.00 0.18 C ATOM 759 C LEU A 375 2.416 -3.613 -7.427 1.00 0.19 C ATOM 760 O LEU A 375 2.712 -2.904 -8.392 1.00 0.22 O ATOM 761 CB LEU A 375 0.804 -5.507 -7.384 1.00 0.18 C ATOM 762 CG LEU A 375 0.431 -6.928 -7.799 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.023 -7.216 -7.460 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.666 -7.119 -9.284 1.00 0.26 C ATOM 0 H LEU A 375 2.604 -6.371 -5.919 1.00 0.17 H new ATOM 0 HA LEU A 375 2.601 -5.432 -8.560 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.542 -5.376 -6.334 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.191 -4.810 -7.955 1.00 0.18 H new ATOM 0 HG LEU A 375 1.062 -7.626 -7.249 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.273 -8.233 -7.762 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.174 -7.109 -6.386 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.666 -6.512 -7.988 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.396 -8.136 -9.567 1.00 0.26 H new ATOM 0 HD22 LEU A 375 0.053 -6.412 -9.843 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.718 -6.946 -9.511 1.00 0.26 H new ATOM 776 N TRP A 376 2.211 -3.138 -6.209 1.00 0.18 N ATOM 777 CA TRP A 376 2.337 -1.724 -5.902 1.00 0.20 C ATOM 778 C TRP A 376 3.765 -1.252 -6.178 1.00 0.25 C ATOM 779 O TRP A 376 3.981 -0.139 -6.664 1.00 0.30 O ATOM 780 CB TRP A 376 1.937 -1.485 -4.446 1.00 0.20 C ATOM 781 CG TRP A 376 2.011 -0.052 -4.019 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.174 0.962 -4.386 1.00 0.20 C ATOM 783 CD2 TRP A 376 2.964 0.516 -3.115 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.575 2.137 -3.792 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.669 1.886 -3.003 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.045 -0.003 -2.400 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.416 2.745 -2.199 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.783 0.847 -1.601 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.467 2.206 -1.507 1.00 0.35 C ATOM 0 H TRP A 376 1.954 -3.718 -5.410 1.00 0.18 H new ATOM 0 HA TRP A 376 1.670 -1.145 -6.541 1.00 0.20 H new ATOM 0 HB2 TRP A 376 0.919 -1.845 -4.296 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.584 -2.079 -3.801 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.324 0.858 -5.044 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.131 3.047 -3.918 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.299 -1.050 -2.471 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.175 3.795 -2.125 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.618 0.456 -1.039 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.066 2.845 -0.874 1.00 0.35 H new ATOM 800 N GLY A 377 4.731 -2.117 -5.884 1.00 0.27 N ATOM 801 CA GLY A 377 6.112 -1.855 -6.245 1.00 0.33 C ATOM 802 C GLY A 377 6.272 -1.633 -7.735 1.00 0.38 C ATOM 803 O GLY A 377 6.879 -0.653 -8.156 1.00 0.41 O ATOM 0 H GLY A 377 4.580 -3.001 -5.398 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.468 -0.977 -5.706 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.734 -2.694 -5.934 1.00 0.33 H new ATOM 807 N ASN A 378 5.710 -2.539 -8.528 1.00 0.41 N ATOM 808 CA ASN A 378 5.760 -2.438 -9.989 1.00 0.50 C ATOM 809 C ASN A 378 5.229 -1.084 -10.452 1.00 0.51 C ATOM 810 O ASN A 378 5.852 -0.404 -11.270 1.00 0.62 O ATOM 811 CB ASN A 378 4.938 -3.564 -10.628 1.00 0.54 C ATOM 812 CG ASN A 378 4.941 -3.511 -12.148 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.908 -3.072 -12.772 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.847 -3.954 -12.755 1.00 1.06 N ATOM 0 H ASN A 378 5.210 -3.359 -8.184 1.00 0.41 H new ATOM 0 HA ASN A 378 6.800 -2.533 -10.303 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.334 -4.526 -10.302 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.910 -3.505 -10.270 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.787 -3.938 -13.773 1.00 1.06 H new ATOM 0 HD22 ASN A 378 3.067 -4.310 -12.203 1.00 1.06 H new ATOM 821 N HIS A 379 4.084 -0.702 -9.902 1.00 0.44 N ATOM 822 CA HIS A 379 3.446 0.568 -10.225 1.00 0.49 C ATOM 823 C HIS A 379 4.360 1.753 -9.904 1.00 0.53 C ATOM 824 O HIS A 379 4.437 2.717 -10.666 1.00 0.67 O ATOM 825 CB HIS A 379 2.128 0.683 -9.456 1.00 0.51 C ATOM 826 CG HIS A 379 1.428 1.995 -9.622 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.899 2.380 -10.830 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.200 2.968 -8.707 1.00 0.78 C ATOM 829 CE1 HIS A 379 0.364 3.570 -10.624 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.523 3.968 -9.351 1.00 0.89 N ATOM 0 H HIS A 379 3.572 -1.262 -9.221 1.00 0.44 H new ATOM 0 HA HIS A 379 3.247 0.593 -11.296 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.461 -0.115 -9.782 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.325 0.521 -8.396 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.496 2.957 -7.668 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.138 4.150 -11.384 1.00 0.84 H new ATOM 0 HE2 HIS A 379 0.201 4.846 -8.943 1.00 0.89 H new ATOM 838 N LYS A 380 5.069 1.673 -8.788 1.00 0.47 N ATOM 839 CA LYS A 380 5.919 2.774 -8.351 1.00 0.55 C ATOM 840 C LYS A 380 7.338 2.637 -8.903 1.00 0.56 C ATOM 841 O LYS A 380 8.272 3.264 -8.398 1.00 0.70 O ATOM 842 CB LYS A 380 5.951 2.845 -6.826 1.00 0.62 C ATOM 843 CG LYS A 380 4.573 2.996 -6.203 1.00 0.79 C ATOM 844 CD LYS A 380 3.855 4.244 -6.696 1.00 0.75 C ATOM 845 CE LYS A 380 4.528 5.514 -6.200 1.00 0.84 C ATOM 846 NZ LYS A 380 3.701 6.720 -6.472 1.00 1.36 N ATOM 0 H LYS A 380 5.074 0.862 -8.170 1.00 0.47 H new ATOM 0 HA LYS A 380 5.495 3.699 -8.742 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.421 1.942 -6.437 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.574 3.686 -6.521 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.972 2.117 -6.436 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.669 3.038 -5.118 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.834 4.245 -7.786 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.819 4.225 -6.358 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.712 5.433 -5.129 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.499 5.623 -6.683 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.282 7.439 -6.949 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 2.900 6.461 -7.082 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 3.342 7.105 -5.575 1.00 1.36 H new ATOM 860 N ASN A 381 7.485 1.813 -9.944 1.00 0.52 N ATOM 861 CA ASN A 381 8.781 1.557 -10.584 1.00 0.60 C ATOM 862 C ASN A 381 9.795 1.066 -9.554 1.00 0.59 C ATOM 863 O ASN A 381 10.954 1.488 -9.528 1.00 0.76 O ATOM 864 CB ASN A 381 9.298 2.809 -11.298 1.00 0.76 C ATOM 865 CG ASN A 381 10.448 2.518 -12.250 1.00 1.50 C ATOM 866 OD1 ASN A 381 11.340 3.347 -12.437 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.421 1.354 -12.881 1.00 2.17 N ATOM 0 H ASN A 381 6.710 1.304 -10.368 1.00 0.52 H new ATOM 0 HA ASN A 381 8.643 0.778 -11.333 1.00 0.60 H new ATOM 0 HB2 ASN A 381 8.480 3.267 -11.854 1.00 0.76 H new ATOM 0 HB3 ASN A 381 9.624 3.536 -10.554 1.00 0.76 H new ATOM 0 HD21 ASN A 381 11.156 1.118 -13.548 1.00 2.17 H new ATOM 0 HD22 ASN A 381 9.666 0.693 -12.700 1.00 2.17 H new ATOM 874 N ARG A 382 9.334 0.179 -8.692 1.00 0.49 N ATOM 875 CA ARG A 382 10.154 -0.363 -7.625 1.00 0.55 C ATOM 876 C ARG A 382 10.463 -1.831 -7.875 1.00 0.67 C ATOM 877 O ARG A 382 9.898 -2.450 -8.777 1.00 0.79 O ATOM 878 CB ARG A 382 9.446 -0.160 -6.286 1.00 0.51 C ATOM 879 CG ARG A 382 9.354 1.300 -5.898 1.00 0.70 C ATOM 880 CD ARG A 382 10.733 1.940 -5.825 1.00 1.09 C ATOM 881 NE ARG A 382 10.665 3.397 -5.755 1.00 1.88 N ATOM 882 CZ ARG A 382 11.636 4.163 -5.260 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.736 3.609 -4.757 1.00 2.40 N ATOM 884 NH2 ARG A 382 11.501 5.483 -5.264 1.00 3.26 N ATOM 0 H ARG A 382 8.382 -0.186 -8.712 1.00 0.49 H new ATOM 0 HA ARG A 382 11.106 0.166 -7.598 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.443 -0.583 -6.341 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.980 -0.707 -5.509 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.741 1.834 -6.624 1.00 0.70 H new ATOM 0 HG3 ARG A 382 8.857 1.391 -4.932 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.261 1.561 -4.950 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.314 1.647 -6.700 1.00 1.09 H new ATOM 0 HE ARG A 382 9.824 3.855 -6.106 1.00 1.88 H new ATOM 0 HH11 ARG A 382 12.838 2.594 -4.749 1.00 2.40 H new ATOM 0 HH12 ARG A 382 13.477 4.199 -4.379 1.00 2.40 H new ATOM 0 HH21 ARG A 382 10.656 5.908 -5.645 1.00 3.26 H new ATOM 0 HH22 ARG A 382 12.242 6.073 -4.886 1.00 3.26 H new ATOM 943 N THR A 386 8.396 -5.902 -0.408 1.00 0.33 N ATOM 944 CA THR A 386 7.657 -6.884 0.364 1.00 0.28 C ATOM 945 C THR A 386 6.612 -6.160 1.214 1.00 0.21 C ATOM 946 O THR A 386 6.765 -4.971 1.465 1.00 0.24 O ATOM 947 CB THR A 386 8.625 -7.723 1.232 1.00 0.33 C ATOM 948 OG1 THR A 386 9.230 -8.737 0.426 1.00 0.54 O ATOM 949 CG2 THR A 386 7.935 -8.362 2.422 1.00 0.26 C ATOM 0 HA THR A 386 7.143 -7.577 -0.302 1.00 0.28 H new ATOM 0 HB THR A 386 9.383 -7.045 1.624 1.00 0.33 H new ATOM 0 HG1 THR A 386 9.844 -9.268 0.975 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.660 -8.939 2.996 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.506 -7.585 3.055 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.142 -9.023 2.071 1.00 0.26 H new ATOM 957 N TYR A 387 5.546 -6.850 1.621 1.00 0.19 N ATOM 958 CA TYR A 387 4.424 -6.189 2.288 1.00 0.17 C ATOM 959 C TYR A 387 4.866 -5.333 3.470 1.00 0.16 C ATOM 960 O TYR A 387 4.422 -4.206 3.602 1.00 0.18 O ATOM 961 CB TYR A 387 3.385 -7.181 2.769 1.00 0.19 C ATOM 962 CG TYR A 387 2.111 -6.481 3.163 1.00 0.20 C ATOM 963 CD1 TYR A 387 1.989 -5.866 4.402 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.043 -6.409 2.287 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.840 -5.200 4.753 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.111 -5.747 2.633 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.205 -5.143 3.866 1.00 0.26 C ATOM 968 OH TYR A 387 -1.349 -4.485 4.219 1.00 0.30 O ATOM 0 H TYR A 387 5.436 -7.857 1.502 1.00 0.19 H new ATOM 0 HA TYR A 387 3.983 -5.541 1.531 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.177 -7.906 1.982 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.776 -7.738 3.620 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.811 -5.912 5.101 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.117 -6.879 1.318 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.760 -4.725 5.720 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.939 -5.701 1.941 1.00 0.25 H new ATOM 0 HH TYR A 387 -2.061 -5.136 4.391 1.00 0.30 H new ATOM 978 N GLU A 388 5.720 -5.872 4.328 1.00 0.20 N ATOM 979 CA GLU A 388 6.217 -5.127 5.486 1.00 0.26 C ATOM 980 C GLU A 388 6.863 -3.810 5.064 1.00 0.25 C ATOM 981 O GLU A 388 6.929 -2.846 5.822 1.00 0.31 O ATOM 982 CB GLU A 388 7.221 -5.975 6.250 1.00 0.38 C ATOM 983 CG GLU A 388 6.599 -7.169 6.951 1.00 1.00 C ATOM 984 CD GLU A 388 5.472 -6.762 7.875 1.00 1.78 C ATOM 985 OE1 GLU A 388 5.755 -6.279 8.988 1.00 2.34 O ATOM 986 OE2 GLU A 388 4.294 -6.942 7.497 1.00 2.37 O ATOM 0 H GLU A 388 6.085 -6.821 4.248 1.00 0.20 H new ATOM 0 HA GLU A 388 5.369 -4.895 6.130 1.00 0.26 H new ATOM 0 HB2 GLU A 388 7.986 -6.328 5.559 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.723 -5.351 6.989 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.222 -7.870 6.206 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.365 -7.693 7.523 1.00 1.00 H new ATOM 993 N LYS A 389 7.382 -3.811 3.860 1.00 0.24 N ATOM 994 CA LYS A 389 7.947 -2.631 3.241 1.00 0.28 C ATOM 995 C LYS A 389 6.857 -1.761 2.582 1.00 0.26 C ATOM 996 O LYS A 389 6.987 -0.540 2.517 1.00 0.32 O ATOM 997 CB LYS A 389 9.034 -3.092 2.273 1.00 0.34 C ATOM 998 CG LYS A 389 10.122 -3.843 3.025 1.00 0.46 C ATOM 999 CD LYS A 389 11.040 -4.650 2.129 1.00 0.52 C ATOM 1000 CE LYS A 389 11.996 -5.472 2.982 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.804 -6.420 2.181 1.00 1.62 N ATOM 0 H LYS A 389 7.426 -4.643 3.272 1.00 0.24 H new ATOM 0 HA LYS A 389 8.401 -1.979 3.988 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.600 -3.735 1.507 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.464 -2.231 1.760 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.719 -3.128 3.591 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.655 -4.512 3.748 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.453 -5.307 1.488 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.602 -3.984 1.474 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.662 -4.801 3.524 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.426 -6.026 3.728 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.437 -6.954 2.810 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 12.173 -7.080 1.684 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 13.370 -5.893 1.486 1.00 1.62 H new ATOM 1015 N MET A 390 5.780 -2.397 2.110 1.00 0.19 N ATOM 1016 CA MET A 390 4.628 -1.673 1.550 1.00 0.20 C ATOM 1017 C MET A 390 3.782 -1.040 2.664 1.00 0.20 C ATOM 1018 O MET A 390 3.236 0.055 2.502 1.00 0.22 O ATOM 1019 CB MET A 390 3.749 -2.615 0.713 1.00 0.18 C ATOM 1020 CG MET A 390 2.313 -2.728 1.215 1.00 0.23 C ATOM 1021 SD MET A 390 1.268 -3.730 0.144 1.00 0.68 S ATOM 1022 CE MET A 390 1.151 -2.663 -1.289 1.00 1.18 C ATOM 0 H MET A 390 5.679 -3.412 2.103 1.00 0.19 H new ATOM 0 HA MET A 390 5.016 -0.882 0.909 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.736 -2.263 -0.319 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.200 -3.607 0.706 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.317 -3.160 2.216 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.884 -1.729 1.300 1.00 0.23 H new ATOM 0 HE1 MET A 390 1.227 -3.262 -2.196 1.00 1.18 H new ATOM 0 HE2 MET A 390 0.194 -2.142 -1.278 1.00 1.18 H new ATOM 0 HE3 MET A 390 1.961 -1.934 -1.267 1.00 1.18 H new ATOM 1032 N SER A 391 3.686 -1.742 3.794 1.00 0.20 N ATOM 1033 CA SER A 391 2.833 -1.347 4.913 1.00 0.21 C ATOM 1034 C SER A 391 3.243 0.007 5.469 1.00 0.18 C ATOM 1035 O SER A 391 2.456 0.686 6.121 1.00 0.18 O ATOM 1036 CB SER A 391 2.903 -2.401 6.015 1.00 0.26 C ATOM 1037 OG SER A 391 4.241 -2.625 6.412 1.00 0.64 O ATOM 0 H SER A 391 4.202 -2.606 3.958 1.00 0.20 H new ATOM 0 HA SER A 391 1.810 -1.267 4.547 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.314 -2.076 6.873 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.463 -3.333 5.661 1.00 0.26 H new ATOM 0 HG SER A 391 4.263 -3.303 7.120 1.00 0.64 H new ATOM 1043 N ARG A 392 4.481 0.384 5.204 1.00 0.19 N ATOM 1044 CA ARG A 392 5.015 1.656 5.663 1.00 0.20 C ATOM 1045 C ARG A 392 4.211 2.807 5.062 1.00 0.19 C ATOM 1046 O ARG A 392 4.029 3.849 5.693 1.00 0.23 O ATOM 1047 CB ARG A 392 6.487 1.778 5.290 1.00 0.24 C ATOM 1048 CG ARG A 392 7.306 0.557 5.659 1.00 0.52 C ATOM 1049 CD ARG A 392 7.434 0.382 7.156 1.00 0.67 C ATOM 1050 NE ARG A 392 8.035 -0.907 7.507 1.00 1.31 N ATOM 1051 CZ ARG A 392 8.767 -1.122 8.600 1.00 1.66 C ATOM 1052 NH1 ARG A 392 9.043 -0.127 9.432 1.00 1.88 N ATOM 1053 NH2 ARG A 392 9.241 -2.334 8.855 1.00 2.48 N ATOM 0 H ARG A 392 5.142 -0.178 4.668 1.00 0.19 H new ATOM 0 HA ARG A 392 4.932 1.703 6.749 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.569 1.950 4.217 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.908 2.652 5.786 1.00 0.24 H new ATOM 0 HG2 ARG A 392 6.843 -0.332 5.230 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.300 0.642 5.219 1.00 0.52 H new ATOM 0 HD2 ARG A 392 8.042 1.189 7.565 1.00 0.67 H new ATOM 0 HD3 ARG A 392 6.449 0.460 7.616 1.00 0.67 H new ATOM 0 HE ARG A 392 7.883 -1.692 6.873 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.694 0.812 9.238 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.604 -0.300 10.266 1.00 1.88 H new ATOM 0 HH21 ARG A 392 9.046 -3.103 8.214 1.00 2.48 H new ATOM 0 HH22 ARG A 392 9.801 -2.497 9.692 1.00 2.48 H new ATOM 1067 N ALA A 393 3.734 2.609 3.836 1.00 0.16 N ATOM 1068 CA ALA A 393 2.851 3.573 3.191 1.00 0.16 C ATOM 1069 C ALA A 393 1.460 3.507 3.819 1.00 0.16 C ATOM 1070 O ALA A 393 0.870 4.532 4.164 1.00 0.19 O ATOM 1071 CB ALA A 393 2.780 3.313 1.690 1.00 0.19 C ATOM 0 H ALA A 393 3.945 1.788 3.269 1.00 0.16 H new ATOM 0 HA ALA A 393 3.253 4.575 3.341 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.116 4.042 1.225 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.777 3.402 1.258 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.396 2.308 1.513 1.00 0.19 H new ATOM 1077 N LEU A 394 0.958 2.281 3.990 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.338 2.039 4.626 1.00 0.18 C ATOM 1079 C LEU A 394 -0.395 2.618 6.038 1.00 0.18 C ATOM 1080 O LEU A 394 -1.462 3.006 6.512 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.624 0.535 4.674 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.925 -0.105 3.320 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.767 -1.611 3.401 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.334 0.249 2.872 1.00 0.24 C ATOM 0 H LEU A 394 1.437 1.431 3.692 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.098 2.541 4.027 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.235 0.030 5.115 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.471 0.362 5.338 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.216 0.282 2.588 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.985 -2.053 2.429 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.256 -1.855 3.689 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.458 -2.010 4.144 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.536 -0.213 1.906 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.052 -0.117 3.606 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.426 1.331 2.782 1.00 0.24 H new ATOM 1096 N ARG A 395 0.757 2.661 6.703 1.00 0.20 N ATOM 1097 CA ARG A 395 0.867 3.184 8.056 1.00 0.26 C ATOM 1098 C ARG A 395 0.261 4.581 8.169 1.00 0.21 C ATOM 1099 O ARG A 395 -0.399 4.897 9.158 1.00 0.22 O ATOM 1100 CB ARG A 395 2.334 3.213 8.489 1.00 0.36 C ATOM 1101 CG ARG A 395 2.511 3.361 9.985 1.00 0.94 C ATOM 1102 CD ARG A 395 1.922 2.169 10.716 1.00 0.94 C ATOM 1103 NE ARG A 395 1.767 2.426 12.145 1.00 1.59 N ATOM 1104 CZ ARG A 395 0.785 1.923 12.892 1.00 1.91 C ATOM 1105 NH1 ARG A 395 -0.135 1.135 12.347 1.00 1.87 N ATOM 1106 NH2 ARG A 395 0.721 2.206 14.184 1.00 2.78 N ATOM 0 H ARG A 395 1.641 2.332 6.315 1.00 0.20 H new ATOM 0 HA ARG A 395 0.306 2.522 8.716 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.821 2.295 8.161 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.838 4.038 7.986 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.571 3.453 10.223 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.028 4.277 10.324 1.00 0.94 H new ATOM 0 HD2 ARG A 395 0.952 1.922 10.285 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.565 1.301 10.571 1.00 0.94 H new ATOM 0 HE ARG A 395 2.453 3.028 12.600 1.00 1.59 H new ATOM 0 HH11 ARG A 395 -0.092 0.913 11.353 1.00 1.87 H new ATOM 0 HH12 ARG A 395 -0.885 0.752 12.923 1.00 1.87 H new ATOM 0 HH21 ARG A 395 1.424 2.810 14.609 1.00 2.78 H new ATOM 0 HH22 ARG A 395 -0.032 1.820 14.754 1.00 2.78 H new ATOM 1120 N HIS A 396 0.471 5.406 7.150 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.090 6.746 7.133 1.00 0.19 C ATOM 1122 C HIS A 396 -1.604 6.685 7.042 1.00 0.16 C ATOM 1123 O HIS A 396 -2.308 7.448 7.701 1.00 0.22 O ATOM 1124 CB HIS A 396 0.486 7.558 5.974 1.00 0.24 C ATOM 1125 CG HIS A 396 1.909 7.968 6.200 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.220 9.113 6.896 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.059 7.353 5.825 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.540 9.169 6.934 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.088 8.125 6.302 1.00 1.17 N ATOM 0 H HIS A 396 1.025 5.169 6.327 1.00 0.20 H new ATOM 0 HA HIS A 396 0.180 7.244 8.064 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.424 6.970 5.059 1.00 0.24 H new ATOM 0 HB3 HIS A 396 -0.124 8.449 5.823 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.565 9.782 7.300 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.147 6.436 5.262 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.103 9.956 7.413 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.097 5.728 6.270 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.522 5.615 5.988 1.00 0.15 C ATOM 1139 C TYR A 397 -4.279 5.234 7.251 1.00 0.18 C ATOM 1140 O TYR A 397 -5.473 5.490 7.370 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.787 4.564 4.897 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.115 4.844 3.563 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.018 5.688 3.463 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.578 4.246 2.402 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.410 5.933 2.258 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.975 4.485 1.189 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.887 5.334 1.121 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.287 5.598 -0.086 1.00 0.35 O ATOM 0 H TYR A 397 -1.525 5.011 5.823 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.871 6.584 5.632 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.451 3.592 5.260 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.863 4.490 4.737 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.634 6.163 4.354 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.427 3.581 2.450 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.559 6.595 2.205 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.350 4.011 0.294 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.338 5.796 0.057 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.568 4.613 8.188 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.151 4.229 9.466 1.00 0.29 C ATOM 1160 C TYR A 398 -4.416 5.459 10.318 1.00 0.31 C ATOM 1161 O TYR A 398 -5.352 5.487 11.115 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.229 3.261 10.208 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.002 1.977 9.450 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.062 1.335 8.836 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.734 1.426 9.322 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.875 0.178 8.119 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.536 0.265 8.601 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.611 -0.353 7.999 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.425 -1.509 7.280 1.00 0.60 O ATOM 0 H TYR A 398 -2.584 4.365 8.084 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.099 3.726 9.274 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.270 3.746 10.389 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.659 3.031 11.183 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.055 1.751 8.922 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.892 1.912 9.792 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.716 -0.313 7.652 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.546 -0.156 8.509 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.476 -1.751 7.290 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.597 6.483 10.131 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.729 7.710 10.894 1.00 0.32 C ATOM 1181 C LYS A 399 -4.662 8.650 10.165 1.00 0.29 C ATOM 1182 O LYS A 399 -5.382 9.446 10.768 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.368 8.362 11.080 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.251 7.363 11.353 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.591 6.354 12.453 1.00 0.68 C ATOM 1186 CE LYS A 399 -1.578 6.968 13.849 1.00 1.31 C ATOM 1187 NZ LYS A 399 -2.756 7.835 14.107 1.00 1.98 N ATOM 0 H LYS A 399 -2.833 6.486 9.455 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.139 7.482 11.878 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.123 8.935 10.186 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.422 9.070 11.907 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.024 6.824 10.434 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.349 7.906 11.635 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.576 5.930 12.258 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.877 5.531 12.417 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.550 6.171 14.592 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -0.667 7.553 13.975 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -2.895 7.936 15.133 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -2.596 8.772 13.686 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -3.603 7.405 13.684 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.646 8.523 8.848 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.555 9.237 7.982 1.00 0.23 C ATOM 1203 C LEU A 400 -6.928 8.610 8.030 1.00 0.22 C ATOM 1204 O LEU A 400 -7.875 9.109 7.421 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.041 9.162 6.555 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.676 9.780 6.339 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -2.991 9.159 5.147 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.833 11.255 6.133 1.00 0.36 C ATOM 0 H LEU A 400 -3.995 7.915 8.351 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.618 10.273 8.315 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.003 8.116 6.252 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.757 9.658 5.899 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.058 9.595 7.218 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.012 9.618 5.010 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -2.870 8.089 5.314 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.596 9.321 4.255 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.853 11.707 5.977 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.459 11.436 5.260 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.301 11.697 7.013 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.000 7.490 8.756 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.205 6.676 8.883 1.00 0.24 C ATOM 1222 C ASN A 401 -8.844 6.441 7.519 1.00 0.19 C ATOM 1223 O ASN A 401 -10.059 6.499 7.353 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.196 7.245 9.924 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.512 8.720 9.764 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.473 9.092 9.092 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.702 9.570 10.381 1.00 1.24 N ATOM 0 H ASN A 401 -6.207 7.120 9.280 1.00 0.22 H new ATOM 0 HA ASN A 401 -7.909 5.702 9.272 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.126 6.680 9.865 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -8.787 7.082 10.921 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.865 10.574 10.308 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.916 9.219 10.929 1.00 1.24 H new ATOM 1234 N ILE A 402 -7.980 6.196 6.539 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.383 5.794 5.201 1.00 0.13 C ATOM 1236 C ILE A 402 -8.631 4.301 5.199 1.00 0.13 C ATOM 1237 O ILE A 402 -9.604 3.808 4.631 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.265 6.122 4.185 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.076 7.636 4.095 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.557 5.524 2.809 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.840 8.051 3.331 1.00 0.14 C ATOM 0 H ILE A 402 -6.970 6.273 6.656 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.288 6.332 4.918 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.339 5.669 4.539 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.952 8.075 3.617 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.024 8.047 5.103 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.748 5.777 2.123 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.636 4.440 2.893 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.495 5.928 2.428 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.774 9.139 3.310 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.956 7.643 3.820 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.898 7.671 2.311 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.745 3.602 5.883 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.769 2.156 5.952 1.00 0.14 C ATOM 1255 C ILE A 403 -7.541 1.719 7.388 1.00 0.17 C ATOM 1256 O ILE A 403 -6.720 2.302 8.090 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.672 1.552 5.045 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.955 1.885 3.578 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.567 0.045 5.239 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.816 1.542 2.648 1.00 0.20 C ATOM 0 H ILE A 403 -6.982 4.027 6.410 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.740 1.801 5.607 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.716 1.993 5.328 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.848 1.348 3.258 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.175 2.949 3.492 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.788 -0.352 4.589 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.318 -0.172 6.278 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.520 -0.421 4.990 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.089 1.806 1.626 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.926 2.099 2.941 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.610 0.473 2.704 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.292 0.729 7.832 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.069 0.134 9.141 1.00 0.18 C ATOM 1274 C ARG A 404 -8.050 -1.376 8.991 1.00 0.20 C ATOM 1275 O ARG A 404 -8.466 -1.898 7.960 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.168 0.531 10.131 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.482 -0.182 9.878 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.471 0.017 11.008 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.557 -0.955 10.920 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.493 -1.139 11.847 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.570 -0.343 12.909 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.359 -2.134 11.705 1.00 2.08 N ATOM 0 H ARG A 404 -9.063 0.318 7.307 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.118 0.496 9.531 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.832 0.312 11.145 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.329 1.608 10.074 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.918 0.183 8.948 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.295 -1.248 9.745 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.961 -0.085 11.966 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.877 1.028 10.969 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.601 -1.537 10.084 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.905 0.422 13.022 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.294 -0.498 13.611 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.302 -2.747 10.892 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.081 -2.286 12.409 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.561 -2.071 10.002 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.574 -3.501 10.017 1.00 0.26 C ATOM 1298 C LYS A 405 -8.828 -3.992 10.734 1.00 0.27 C ATOM 1299 O LYS A 405 -9.091 -3.580 11.867 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.332 -3.983 10.745 1.00 0.31 C ATOM 1301 CG LYS A 405 -6.173 -5.468 10.671 1.00 0.58 C ATOM 1302 CD LYS A 405 -5.070 -5.984 11.572 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.746 -5.308 11.290 1.00 1.31 C ATOM 1304 NZ LYS A 405 -3.250 -5.576 9.913 1.00 1.73 N ATOM 0 H LYS A 405 -7.145 -1.648 10.832 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.580 -3.892 8.999 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -5.452 -3.504 10.315 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.384 -3.677 11.790 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -7.114 -5.944 10.947 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.960 -5.756 9.641 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -5.346 -5.820 12.614 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.964 -7.060 11.436 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.854 -4.233 11.431 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -3.006 -5.651 12.012 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.255 -5.284 9.839 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -3.328 -6.592 9.708 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -3.820 -5.040 9.228 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.604 -4.846 10.074 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.790 -5.415 10.674 1.00 0.27 C ATOM 1320 C GLU A 406 -10.464 -6.214 11.929 1.00 0.29 C ATOM 1321 O GLU A 406 -9.452 -6.922 11.996 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.521 -6.272 9.673 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.382 -5.447 8.745 1.00 0.28 C ATOM 1324 CD GLU A 406 -12.962 -4.205 9.408 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.071 -4.294 9.981 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.326 -3.136 9.358 1.00 0.81 O ATOM 0 H GLU A 406 -9.425 -5.156 9.119 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.437 -4.591 10.975 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.799 -6.842 9.088 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.145 -6.994 10.200 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.789 -5.146 7.881 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.198 -6.066 8.371 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.339 -6.104 12.932 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.130 -6.684 14.260 1.00 0.38 C ATOM 1335 C PRO A 407 -11.095 -8.210 14.258 1.00 0.41 C ATOM 1336 O PRO A 407 -12.103 -8.873 13.993 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.344 -6.177 15.044 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.381 -5.952 14.008 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.626 -5.396 12.844 1.00 0.45 C ATOM 0 HA PRO A 407 -10.166 -6.396 14.679 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.673 -6.907 15.784 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.114 -5.258 15.583 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.889 -6.880 13.746 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.146 -5.257 14.355 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.134 -5.593 11.900 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.501 -4.316 12.920 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.926 -8.759 14.554 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.793 -10.190 14.723 1.00 0.60 C ATOM 1349 C GLY A 408 -9.532 -10.929 13.427 1.00 0.56 C ATOM 1350 O GLY A 408 -9.730 -12.143 13.352 1.00 0.66 O ATOM 0 H GLY A 408 -9.061 -8.233 14.681 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.978 -10.392 15.418 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.703 -10.580 15.178 1.00 0.60 H new ATOM 1354 N GLN A 409 -9.101 -10.211 12.403 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.754 -10.844 11.141 1.00 0.52 C ATOM 1356 C GLN A 409 -7.328 -10.487 10.744 1.00 0.48 C ATOM 1357 O GLN A 409 -6.767 -9.527 11.265 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.741 -10.451 10.038 1.00 0.67 C ATOM 1359 CG GLN A 409 -11.167 -10.917 10.315 1.00 0.77 C ATOM 1360 CD GLN A 409 -12.154 -10.481 9.268 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -12.712 -9.389 9.335 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.412 -11.351 8.325 1.00 1.10 N ATOM 0 H GLN A 409 -8.984 -9.198 12.419 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.816 -11.924 11.273 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.735 -9.367 9.923 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.405 -10.873 9.091 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.179 -12.005 10.383 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.484 -10.533 11.285 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -11.923 -12.246 8.309 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.102 -11.134 7.606 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.742 -11.270 9.843 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.350 -11.065 9.429 1.00 0.41 C ATOM 1373 C ARG A 410 -5.172 -9.764 8.641 1.00 0.34 C ATOM 1374 O ARG A 410 -5.192 -8.669 9.203 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.809 -12.257 8.607 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.859 -13.233 8.075 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.797 -12.614 7.035 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.140 -12.338 5.750 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.695 -13.283 4.908 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -5.903 -14.565 5.164 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.068 -12.943 3.787 1.00 2.29 N ATOM 0 H ARG A 410 -7.206 -12.053 9.383 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.769 -10.991 10.348 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.245 -11.864 7.761 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.106 -12.813 9.228 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.354 -14.091 7.632 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.451 -13.607 8.910 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.638 -13.287 6.868 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.207 -11.685 7.432 1.00 0.62 H new ATOM 0 HE ARG A 410 -6.014 -11.363 5.480 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.405 -14.842 6.007 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.561 -15.276 4.518 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.923 -11.959 3.562 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.732 -13.666 3.151 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.006 -9.894 7.333 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.843 -8.744 6.455 1.00 0.15 C ATOM 1397 C LEU A 411 -6.190 -8.254 5.954 1.00 0.11 C ATOM 1398 O LEU A 411 -6.311 -7.773 4.826 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.912 -9.062 5.283 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.449 -9.262 5.666 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.985 -10.671 5.336 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.592 -8.236 4.953 1.00 0.16 C ATOM 0 H LEU A 411 -4.981 -10.793 6.852 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.381 -7.947 7.037 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.270 -9.964 4.787 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.976 -8.252 4.556 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.348 -9.126 6.743 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.939 -10.785 5.620 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.591 -11.392 5.886 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.092 -10.848 4.266 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.547 -8.380 5.228 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.703 -8.355 3.875 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.908 -7.234 5.242 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.211 -8.436 6.775 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.526 -7.919 6.462 1.00 0.10 C ATOM 1416 C LEU A 412 -8.611 -6.471 6.866 1.00 0.09 C ATOM 1417 O LEU A 412 -8.396 -6.127 8.025 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.613 -8.705 7.169 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.732 -9.186 6.266 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.039 -8.144 5.224 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.344 -10.489 5.615 1.00 0.15 C ATOM 0 H LEU A 412 -7.151 -8.938 7.661 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.679 -8.016 5.387 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.160 -9.569 7.656 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.040 -8.083 7.955 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.628 -9.350 6.864 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.844 -8.499 4.581 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.346 -7.220 5.713 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.149 -7.958 4.623 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.153 -10.828 4.968 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.441 -10.345 5.022 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.157 -11.238 6.384 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.917 -5.632 5.907 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.906 -4.200 6.134 1.00 0.10 C ATOM 1435 C PHE A 413 -10.227 -3.589 5.717 1.00 0.09 C ATOM 1436 O PHE A 413 -11.108 -4.271 5.196 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.778 -3.507 5.361 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.408 -4.099 5.537 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.074 -4.833 6.662 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.450 -3.910 4.562 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.814 -5.370 6.807 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.191 -4.441 4.700 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.869 -5.174 5.825 1.00 0.14 C ATOM 0 H PHE A 413 -9.177 -5.911 4.961 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.742 -4.050 7.201 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.027 -3.522 4.300 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.743 -2.461 5.665 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.811 -4.987 7.436 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.693 -3.337 3.679 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.568 -5.943 7.689 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.452 -4.285 3.928 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.879 -5.592 5.934 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.342 -2.294 5.931 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.560 -1.571 5.633 1.00 0.10 C ATOM 1455 C ARG A 414 -11.242 -0.187 5.087 1.00 0.09 C ATOM 1456 O ARG A 414 -10.566 0.606 5.747 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.388 -1.452 6.907 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.606 -0.555 6.789 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.455 -0.621 8.049 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.490 0.407 8.064 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.798 0.161 8.192 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.234 -1.080 8.368 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.670 1.165 8.161 1.00 2.09 N ATOM 0 H ARG A 414 -9.595 -1.715 6.315 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.124 -2.114 4.874 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.715 -2.448 7.206 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.750 -1.072 7.705 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.289 0.473 6.613 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.202 -0.857 5.928 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -14.919 -1.604 8.122 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.815 -0.505 8.924 1.00 0.35 H new ATOM 0 HE ARG A 414 -15.196 1.379 7.971 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.570 -1.853 8.406 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -18.233 -1.261 8.465 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -17.341 2.123 8.040 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.668 0.977 8.259 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.708 0.094 3.877 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.610 1.436 3.322 1.00 0.11 C ATOM 1479 C PHE A 415 -12.665 2.328 3.967 1.00 0.12 C ATOM 1480 O PHE A 415 -13.849 2.243 3.644 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.788 1.437 1.795 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.542 1.112 1.010 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.543 2.061 0.868 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.375 -0.126 0.395 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.405 1.790 0.135 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.231 -0.404 -0.341 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.247 0.558 -0.468 1.00 0.21 C ATOM 0 H PHE A 415 -12.156 -0.587 3.264 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.613 1.819 3.537 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.563 0.716 1.534 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.149 2.418 1.487 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.656 3.027 1.338 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.144 -0.878 0.492 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.637 2.543 0.033 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -9.111 -1.368 -0.812 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.355 0.346 -1.039 1.00 0.21 H new ATOM 1497 N MET A 416 -12.232 3.158 4.902 1.00 0.14 N ATOM 1498 CA MET A 416 -13.137 4.059 5.605 1.00 0.17 C ATOM 1499 C MET A 416 -13.597 5.169 4.675 1.00 0.20 C ATOM 1500 O MET A 416 -14.689 5.713 4.829 1.00 0.29 O ATOM 1501 CB MET A 416 -12.455 4.658 6.838 1.00 0.23 C ATOM 1502 CG MET A 416 -12.101 3.636 7.904 1.00 0.30 C ATOM 1503 SD MET A 416 -13.555 2.838 8.615 1.00 1.30 S ATOM 1504 CE MET A 416 -14.394 4.240 9.355 1.00 1.23 C ATOM 0 H MET A 416 -11.257 3.228 5.194 1.00 0.14 H new ATOM 0 HA MET A 416 -14.005 3.487 5.933 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.546 5.171 6.525 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.112 5.411 7.274 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.450 2.876 7.471 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.536 4.125 8.697 1.00 0.30 H new ATOM 0 HE1 MET A 416 -14.777 3.959 10.336 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.693 5.068 9.463 1.00 1.23 H new ATOM 0 HE3 MET A 416 -15.222 4.547 8.716 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.753 5.499 3.714 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.087 6.483 2.707 1.00 0.21 C ATOM 1516 C LYS A 417 -12.398 6.153 1.394 1.00 0.22 C ATOM 1517 O LYS A 417 -11.365 5.483 1.365 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.715 7.891 3.168 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.277 8.040 3.612 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.949 9.496 3.905 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.866 9.634 4.957 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.328 9.165 6.291 1.00 0.61 N ATOM 0 H LYS A 417 -11.823 5.094 3.612 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.166 6.455 2.552 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.906 8.590 2.354 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.369 8.176 3.992 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.103 7.437 4.503 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.611 7.662 2.836 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.627 9.987 2.987 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.849 10.010 4.242 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -8.990 9.061 4.654 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.557 10.677 5.026 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.612 9.399 7.008 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.225 9.632 6.532 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.470 8.135 6.267 1.00 0.61 H new ATOM 1536 N THR A 418 -12.990 6.628 0.320 1.00 0.24 N ATOM 1537 CA THR A 418 -12.533 6.320 -1.025 1.00 0.26 C ATOM 1538 C THR A 418 -11.730 7.481 -1.611 1.00 0.23 C ATOM 1539 O THR A 418 -11.679 8.552 -1.005 1.00 0.21 O ATOM 1540 CB THR A 418 -13.743 6.005 -1.923 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.733 7.036 -1.790 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.351 4.657 -1.557 1.00 0.40 C ATOM 0 H THR A 418 -13.805 7.241 0.351 1.00 0.24 H new ATOM 0 HA THR A 418 -11.880 5.449 -0.978 1.00 0.26 H new ATOM 0 HB THR A 418 -13.401 5.962 -2.957 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.137 6.989 -0.898 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.204 4.455 -2.204 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.604 3.874 -1.686 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.680 4.676 -0.518 1.00 0.40 H new ATOM 1550 N PRO A 419 -11.082 7.282 -2.789 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.316 8.330 -3.481 1.00 0.24 C ATOM 1552 C PRO A 419 -10.947 9.718 -3.376 1.00 0.28 C ATOM 1553 O PRO A 419 -10.297 10.663 -2.937 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.348 7.846 -4.927 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.308 6.362 -4.820 1.00 0.30 C ATOM 1556 CD PRO A 419 -11.024 6.004 -3.538 1.00 0.28 C ATOM 0 HA PRO A 419 -9.321 8.457 -3.055 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.249 8.184 -5.439 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.498 8.227 -5.493 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.794 5.898 -5.678 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.279 6.002 -4.803 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -12.022 5.611 -3.735 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.484 5.239 -2.980 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.217 9.817 -3.757 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.950 11.085 -3.731 1.00 0.43 C ATOM 1566 C ASP A 420 -12.838 11.772 -2.372 1.00 0.40 C ATOM 1567 O ASP A 420 -12.586 12.972 -2.286 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.424 10.834 -4.063 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.270 12.089 -3.984 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -15.327 12.842 -4.980 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.875 12.336 -2.922 1.00 0.85 O ATOM 0 H ASP A 420 -12.768 9.026 -4.092 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.508 11.745 -4.477 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.499 10.415 -5.066 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.824 10.089 -3.375 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.997 10.989 -1.321 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.990 11.505 0.038 1.00 0.35 C ATOM 1578 C GLU A 421 -11.578 11.862 0.498 1.00 0.32 C ATOM 1579 O GLU A 421 -11.381 12.795 1.280 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.599 10.459 0.957 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.066 10.215 0.674 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.562 8.926 1.278 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -16.005 8.949 2.447 1.00 0.51 O ATOM 1584 OE2 GLU A 421 -15.520 7.886 0.592 1.00 0.38 O ATOM 0 H GLU A 421 -13.134 9.980 -1.383 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.578 12.422 0.071 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.052 9.523 0.848 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.481 10.778 1.992 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.652 11.046 1.067 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.226 10.193 -0.404 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.601 11.108 0.010 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.205 11.290 0.404 1.00 0.24 C ATOM 1593 C ILE A 422 -8.586 12.511 -0.278 1.00 0.29 C ATOM 1594 O ILE A 422 -7.751 13.208 0.308 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.373 10.038 0.063 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.035 8.797 0.661 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.948 10.185 0.584 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.452 7.494 0.166 1.00 0.18 C ATOM 0 H ILE A 422 -10.749 10.358 -0.665 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.193 11.449 1.482 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.330 9.928 -1.021 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.943 8.836 1.746 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.100 8.818 0.430 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.375 9.292 0.334 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.481 11.056 0.125 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -6.968 10.312 1.666 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.974 6.660 0.636 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.568 7.431 -0.916 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.393 7.449 0.421 1.00 0.18 H new ATOM 1610 N MET A 423 -9.009 12.776 -1.510 1.00 0.36 N ATOM 1611 CA MET A 423 -8.483 13.895 -2.294 1.00 0.46 C ATOM 1612 C MET A 423 -8.935 15.238 -1.731 1.00 0.55 C ATOM 1613 O MET A 423 -8.601 16.290 -2.272 1.00 0.71 O ATOM 1614 CB MET A 423 -8.926 13.769 -3.750 1.00 0.56 C ATOM 1615 CG MET A 423 -8.438 12.497 -4.422 1.00 0.59 C ATOM 1616 SD MET A 423 -9.025 12.334 -6.120 1.00 0.83 S ATOM 1617 CE MET A 423 -8.419 10.697 -6.526 1.00 1.83 C ATOM 0 H MET A 423 -9.721 12.227 -1.993 1.00 0.36 H new ATOM 0 HA MET A 423 -7.395 13.856 -2.238 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.015 13.800 -3.795 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.560 14.630 -4.309 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.348 12.484 -4.416 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.770 11.635 -3.843 1.00 0.59 H new ATOM 0 HE1 MET A 423 -9.024 10.274 -7.328 1.00 1.83 H new ATOM 0 HE2 MET A 423 -7.381 10.764 -6.851 1.00 1.83 H new ATOM 0 HE3 MET A 423 -8.483 10.057 -5.646 1.00 1.83 H new ATOM 1627 N SER A 424 -9.665 15.195 -0.625 1.00 0.60 N ATOM 1628 CA SER A 424 -10.203 16.396 -0.004 1.00 0.72 C ATOM 1629 C SER A 424 -9.136 17.106 0.842 1.00 0.74 C ATOM 1630 O SER A 424 -9.458 17.885 1.738 1.00 0.94 O ATOM 1631 CB SER A 424 -11.431 16.030 0.838 1.00 1.07 C ATOM 1632 OG SER A 424 -12.205 17.174 1.160 1.00 1.70 O ATOM 0 H SER A 424 -9.900 14.331 -0.136 1.00 0.60 H new ATOM 0 HA SER A 424 -10.508 17.093 -0.784 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.047 15.316 0.292 1.00 1.07 H new ATOM 0 HB3 SER A 424 -11.110 15.538 1.756 1.00 1.07 H new ATOM 0 HG SER A 424 -11.616 17.886 1.487 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.864 16.825 0.564 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.792 17.561 1.209 1.00 1.23 C ATOM 1640 C GLY A 425 -5.887 16.717 2.090 1.00 0.79 C ATOM 1641 O GLY A 425 -5.268 17.241 3.015 1.00 1.10 O ATOM 0 H GLY A 425 -7.560 16.106 -0.092 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -6.185 18.041 0.441 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -7.228 18.356 1.814 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.811 15.414 1.841 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.869 14.574 2.576 1.00 0.47 C ATOM 1647 C ARG A 426 -3.850 13.913 1.660 1.00 0.40 C ATOM 1648 O ARG A 426 -2.882 13.319 2.132 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.607 13.501 3.371 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.415 14.052 4.521 1.00 1.03 C ATOM 1651 CD ARG A 426 -5.597 15.019 5.359 1.00 1.41 C ATOM 1652 NE ARG A 426 -6.371 15.590 6.458 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.632 16.891 6.588 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -6.247 17.747 5.644 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.286 17.329 7.659 1.00 2.85 N ATOM 0 H ARG A 426 -6.378 14.923 1.150 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.332 15.232 3.259 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.270 12.955 2.700 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -4.883 12.784 3.757 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.299 14.560 4.136 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.766 13.232 5.147 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -4.726 14.501 5.761 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.225 15.823 4.723 1.00 1.41 H new ATOM 0 HE ARG A 426 -6.734 14.955 7.169 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.751 17.408 4.819 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.448 18.742 5.745 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -7.586 16.671 8.378 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -7.488 18.324 7.762 1.00 2.85 H new ATOM 1669 N THR A 427 -4.055 14.015 0.359 1.00 0.36 N ATOM 1670 CA THR A 427 -3.208 13.301 -0.583 1.00 0.33 C ATOM 1671 C THR A 427 -1.838 13.954 -0.743 1.00 0.37 C ATOM 1672 O THR A 427 -0.892 13.290 -1.147 1.00 0.38 O ATOM 1673 CB THR A 427 -3.868 13.179 -1.965 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.102 14.480 -2.515 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.181 12.417 -1.874 1.00 0.33 C ATOM 0 H THR A 427 -4.791 14.578 -0.067 1.00 0.36 H new ATOM 0 HA THR A 427 -3.072 12.306 -0.160 1.00 0.33 H new ATOM 0 HB THR A 427 -3.191 12.627 -2.617 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.365 14.719 -3.115 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.629 12.344 -2.865 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.994 11.416 -1.485 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.862 12.944 -1.206 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.725 15.241 -0.410 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.477 15.984 -0.632 1.00 0.54 C ATOM 1685 C ASP A 428 0.693 15.312 0.076 1.00 0.55 C ATOM 1686 O ASP A 428 1.788 15.192 -0.477 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.604 17.443 -0.164 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.592 17.597 1.347 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.654 17.419 1.977 1.00 1.53 O ATOM 1690 OD2 ASP A 428 0.485 17.904 1.910 1.00 1.76 O ATOM 0 H ASP A 428 -2.475 15.790 0.011 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.286 15.981 -1.705 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.215 18.025 -0.587 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.530 17.863 -0.557 1.00 0.67 H new ATOM 1695 N ARG A 429 0.442 14.853 1.290 1.00 0.54 N ATOM 1696 CA ARG A 429 1.456 14.181 2.080 1.00 0.58 C ATOM 1697 C ARG A 429 1.717 12.791 1.524 1.00 0.45 C ATOM 1698 O ARG A 429 2.838 12.318 1.546 1.00 0.46 O ATOM 1699 CB ARG A 429 1.008 14.091 3.539 1.00 0.72 C ATOM 1700 CG ARG A 429 2.032 13.457 4.464 1.00 0.88 C ATOM 1701 CD ARG A 429 1.580 13.542 5.908 1.00 1.22 C ATOM 1702 NE ARG A 429 1.383 14.929 6.327 1.00 1.86 N ATOM 1703 CZ ARG A 429 0.262 15.397 6.875 1.00 2.48 C ATOM 1704 NH1 ARG A 429 -0.755 14.580 7.123 1.00 2.68 N ATOM 1705 NH2 ARG A 429 0.160 16.682 7.185 1.00 3.43 N ATOM 0 H ARG A 429 -0.464 14.935 1.752 1.00 0.54 H new ATOM 0 HA ARG A 429 2.381 14.756 2.031 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.780 15.094 3.900 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.084 13.516 3.589 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.182 12.414 4.186 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.993 13.959 4.349 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.650 12.988 6.032 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.322 13.068 6.551 1.00 1.22 H new ATOM 0 HE ARG A 429 2.155 15.582 6.191 1.00 1.86 H new ATOM 0 HH11 ARG A 429 -0.681 13.589 6.894 1.00 2.68 H new ATOM 0 HH12 ARG A 429 -1.611 14.944 7.543 1.00 2.68 H new ATOM 0 HH21 ARG A 429 0.940 17.314 7.004 1.00 3.43 H new ATOM 0 HH22 ARG A 429 -0.699 17.039 7.604 1.00 3.43 H new ATOM 1719 N LEU A 430 0.677 12.167 0.994 1.00 0.38 N ATOM 1720 CA LEU A 430 0.754 10.803 0.500 1.00 0.32 C ATOM 1721 C LEU A 430 1.468 10.748 -0.844 1.00 0.30 C ATOM 1722 O LEU A 430 2.352 9.919 -1.056 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.653 10.235 0.378 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.440 10.179 1.682 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.861 9.716 1.419 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.745 9.249 2.659 1.00 0.61 C ATOM 0 H LEU A 430 -0.244 12.593 0.895 1.00 0.38 H new ATOM 0 HA LEU A 430 1.330 10.203 1.205 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.211 10.837 -0.340 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.588 9.228 -0.033 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.483 11.177 2.118 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.412 9.681 2.359 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.350 10.412 0.738 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.843 8.722 0.971 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.310 9.211 3.590 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.686 8.249 2.230 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.261 9.618 2.860 1.00 0.61 H new ATOM 1738 N GLU A 431 1.074 11.646 -1.740 1.00 0.31 N ATOM 1739 CA GLU A 431 1.696 11.768 -3.054 1.00 0.35 C ATOM 1740 C GLU A 431 3.185 12.030 -2.899 1.00 0.39 C ATOM 1741 O GLU A 431 4.003 11.597 -3.711 1.00 0.44 O ATOM 1742 CB GLU A 431 1.029 12.898 -3.841 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.426 12.619 -4.177 1.00 0.50 C ATOM 1744 CD GLU A 431 -1.151 13.818 -4.758 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -1.114 14.003 -5.992 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -1.786 14.572 -3.988 1.00 2.30 O ATOM 0 H GLU A 431 0.316 12.309 -1.577 1.00 0.31 H new ATOM 0 HA GLU A 431 1.564 10.836 -3.604 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.091 13.820 -3.263 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.583 13.064 -4.765 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.475 11.794 -4.888 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.943 12.293 -3.275 1.00 0.50 H new ATOM 1753 N HIS A 432 3.518 12.749 -1.840 1.00 0.39 N ATOM 1754 CA HIS A 432 4.897 13.043 -1.500 1.00 0.45 C ATOM 1755 C HIS A 432 5.546 11.873 -0.756 1.00 0.44 C ATOM 1756 O HIS A 432 6.720 11.569 -0.959 1.00 0.52 O ATOM 1757 CB HIS A 432 4.939 14.301 -0.649 1.00 0.50 C ATOM 1758 CG HIS A 432 6.317 14.844 -0.420 1.00 0.55 C ATOM 1759 ND1 HIS A 432 7.187 15.135 -1.446 1.00 0.87 N ATOM 1760 CD2 HIS A 432 6.967 15.161 0.723 1.00 0.70 C ATOM 1761 CE1 HIS A 432 8.313 15.608 -0.944 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.206 15.637 0.372 1.00 0.77 N ATOM 0 H HIS A 432 2.837 13.145 -1.192 1.00 0.39 H new ATOM 0 HA HIS A 432 5.462 13.200 -2.419 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.333 15.070 -1.128 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.480 14.088 0.316 1.00 0.50 H new ATOM 0 HD2 HIS A 432 6.582 15.059 1.727 1.00 0.70 H new ATOM 0 HE1 HIS A 432 9.176 15.919 -1.514 1.00 0.91 H new ATOM 0 HE2 HIS A 432 8.925 15.960 1.020 1.00 0.77 H new ATOM 1771 N LEU A 433 4.763 11.222 0.098 1.00 0.39 N ATOM 1772 CA LEU A 433 5.264 10.180 0.984 1.00 0.40 C ATOM 1773 C LEU A 433 5.650 8.930 0.230 1.00 0.36 C ATOM 1774 O LEU A 433 6.620 8.285 0.590 1.00 0.35 O ATOM 1775 CB LEU A 433 4.215 9.824 2.035 1.00 0.53 C ATOM 1776 CG LEU A 433 4.771 9.346 3.380 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.354 7.947 3.267 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.829 10.313 3.881 1.00 0.73 C ATOM 0 H LEU A 433 3.764 11.403 0.195 1.00 0.39 H new ATOM 0 HA LEU A 433 6.157 10.578 1.467 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.589 10.699 2.210 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.569 9.045 1.630 1.00 0.53 H new ATOM 0 HG LEU A 433 3.948 9.313 4.094 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.741 7.635 4.237 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.577 7.254 2.946 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.163 7.948 2.537 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.217 9.964 4.838 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.642 10.369 3.158 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.388 11.302 4.008 1.00 0.73 H new ATOM 1790 N GLU A 434 4.884 8.567 -0.787 1.00 0.40 N ATOM 1791 CA GLU A 434 5.153 7.332 -1.520 1.00 0.45 C ATOM 1792 C GLU A 434 6.614 7.216 -1.917 1.00 0.45 C ATOM 1793 O GLU A 434 7.262 6.230 -1.604 1.00 0.56 O ATOM 1794 CB GLU A 434 4.269 7.201 -2.746 1.00 0.66 C ATOM 1795 CG GLU A 434 2.836 6.868 -2.403 1.00 0.80 C ATOM 1796 CD GLU A 434 1.988 6.656 -3.634 1.00 1.20 C ATOM 1797 OE1 GLU A 434 2.077 7.480 -4.570 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.259 5.650 -3.688 1.00 1.47 O ATOM 0 H GLU A 434 4.081 9.099 -1.123 1.00 0.40 H new ATOM 0 HA GLU A 434 4.919 6.514 -0.839 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.295 8.134 -3.308 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.672 6.425 -3.397 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.811 5.968 -1.788 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.411 7.674 -1.806 1.00 0.80 H new ATOM 1805 N SER A 435 7.146 8.236 -2.554 1.00 0.46 N ATOM 1806 CA SER A 435 8.539 8.225 -2.950 1.00 0.53 C ATOM 1807 C SER A 435 9.450 8.198 -1.724 1.00 0.50 C ATOM 1808 O SER A 435 10.574 7.692 -1.772 1.00 0.58 O ATOM 1809 CB SER A 435 8.827 9.456 -3.774 1.00 0.62 C ATOM 1810 OG SER A 435 7.678 10.289 -3.857 1.00 1.01 O ATOM 0 H SER A 435 6.637 9.082 -2.809 1.00 0.46 H new ATOM 0 HA SER A 435 8.733 7.329 -3.539 1.00 0.53 H new ATOM 0 HB2 SER A 435 9.653 10.011 -3.330 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.142 9.163 -4.775 1.00 0.62 H new ATOM 0 HG SER A 435 7.887 11.082 -4.394 1.00 1.01 H new ATOM 1816 N GLN A 436 8.945 8.745 -0.628 1.00 0.43 N ATOM 1817 CA GLN A 436 9.701 8.838 0.609 1.00 0.48 C ATOM 1818 C GLN A 436 9.773 7.491 1.312 1.00 0.45 C ATOM 1819 O GLN A 436 10.849 7.051 1.670 1.00 0.51 O ATOM 1820 CB GLN A 436 9.104 9.888 1.546 1.00 0.52 C ATOM 1821 CG GLN A 436 9.278 11.312 1.057 1.00 0.77 C ATOM 1822 CD GLN A 436 8.986 12.328 2.140 1.00 0.77 C ATOM 1823 OE1 GLN A 436 7.851 12.768 2.307 1.00 1.27 O ATOM 1824 NE2 GLN A 436 10.010 12.700 2.893 1.00 1.38 N ATOM 0 H GLN A 436 8.004 9.135 -0.572 1.00 0.43 H new ATOM 0 HA GLN A 436 10.713 9.146 0.347 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.041 9.685 1.674 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.568 9.791 2.528 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.298 11.449 0.698 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.616 11.487 0.209 1.00 0.77 H new ATOM 0 HE21 GLN A 436 10.937 12.311 2.722 1.00 1.38 H new ATOM 0 HE22 GLN A 436 9.872 13.376 3.644 1.00 1.38 H new ATOM 1833 N VAL A 437 8.626 6.836 1.498 1.00 0.38 N ATOM 1834 CA VAL A 437 8.575 5.523 2.148 1.00 0.38 C ATOM 1835 C VAL A 437 9.416 4.511 1.381 1.00 0.42 C ATOM 1836 O VAL A 437 10.066 3.640 1.965 1.00 0.49 O ATOM 1837 CB VAL A 437 7.119 5.008 2.297 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.328 5.217 1.020 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.099 3.538 2.685 1.00 0.38 C ATOM 0 H VAL A 437 7.716 7.194 1.207 1.00 0.38 H new ATOM 0 HA VAL A 437 8.989 5.642 3.149 1.00 0.38 H new ATOM 0 HB VAL A 437 6.649 5.587 3.092 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.312 4.846 1.156 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.297 6.280 0.781 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.805 4.675 0.203 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.067 3.202 2.783 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.600 2.952 1.915 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.616 3.406 3.636 1.00 0.38 H new ATOM 1849 N LEU A 438 9.443 4.673 0.074 1.00 0.41 N ATOM 1850 CA LEU A 438 10.220 3.812 -0.797 1.00 0.48 C ATOM 1851 C LEU A 438 11.714 4.087 -0.631 1.00 0.55 C ATOM 1852 O LEU A 438 12.555 3.356 -1.153 1.00 0.62 O ATOM 1853 CB LEU A 438 9.783 4.054 -2.239 1.00 0.48 C ATOM 1854 CG LEU A 438 8.287 3.832 -2.480 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.895 4.200 -3.898 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.893 2.400 -2.172 1.00 0.54 C ATOM 0 H LEU A 438 8.927 5.405 -0.415 1.00 0.41 H new ATOM 0 HA LEU A 438 10.046 2.769 -0.533 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.038 5.076 -2.519 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.349 3.393 -2.896 1.00 0.48 H new ATOM 0 HG LEU A 438 7.745 4.490 -1.801 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.827 4.031 -4.036 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.122 5.251 -4.077 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.454 3.583 -4.602 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.826 2.270 -2.351 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.455 1.722 -2.815 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.115 2.178 -1.128 1.00 0.54 H new