USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 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= -0.36 K(o=-0.89,f=0.001) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.531 K(o=-0.89,f=0.001) USER MOD Set 2.1: A 401 ASN : amide:sc= -1.67 K(o=-1,f=-2.9) USER MOD Set 2.2: A 417 LYS NZ :NH3+ 148:sc= 0.659 (180deg=0.877) USER MOD Single : A 340 TYR OH : rot 80:sc= -2! USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 SER OG : rot -40:sc= 0.382 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.603 K(o=0.6,f=-0.35) USER MOD Single : A 359 LYS NZ :NH3+ -159:sc= -0.0556 (180deg=-0.376) USER MOD Single : A 361 SER OG : rot 82:sc= 0.408 USER MOD Single : A 362 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00948) USER MOD Single : A 370 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.5!) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 379 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -179:sc= 1 (180deg=0.958) USER MOD Single : A 381 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.56) USER MOD Single : A 386 THR OG1 : rot 38:sc= 0.0456 USER MOD Single : A 387 TYR OH : rot -94:sc= -0.474 USER MOD Single : A 389 LYS NZ :NH3+ -154:sc= -0.467 (180deg=-1.29!) USER MOD Single : A 390 MET CE :methyl 132:sc= -2.17 (180deg=-3.82) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-2.8!) USER MOD Single : A 397 TYR OH : rot -117:sc= -3.87! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -0.473 K(o=-0.47,f=-4.2!) USER MOD Single : A 416 MET CE :methyl 163:sc= -0.8 (180deg=-1.63) USER MOD Single : A 418 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 423 MET CE :methyl 161:sc= -0.129 (180deg=-0.617) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.825 7.272 -5.920 1.00 1.08 N ATOM 81 CA LEU A 336 -1.407 6.822 -4.600 1.00 0.60 C ATOM 82 C LEU A 336 -1.652 5.330 -4.401 1.00 0.50 C ATOM 83 O LEU A 336 -2.346 4.690 -5.197 1.00 0.62 O ATOM 84 CB LEU A 336 -2.145 7.599 -3.502 1.00 0.36 C ATOM 85 CG LEU A 336 -1.919 9.112 -3.481 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.503 9.726 -2.221 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.447 9.438 -3.573 1.00 0.39 C ATOM 0 HA LEU A 336 -0.336 7.010 -4.530 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.214 7.413 -3.609 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.846 7.194 -2.535 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.427 9.535 -4.348 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.331 10.802 -2.227 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.575 9.530 -2.184 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.023 9.287 -1.346 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.312 10.519 -3.556 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.078 8.994 -2.727 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.043 9.036 -4.502 1.00 0.39 H new ATOM 99 N LEU A 337 -1.098 4.799 -3.322 1.00 0.39 N ATOM 100 CA LEU A 337 -1.247 3.394 -2.969 1.00 0.30 C ATOM 101 C LEU A 337 -2.710 2.975 -2.956 1.00 0.26 C ATOM 102 O LEU A 337 -3.080 2.008 -3.623 1.00 0.25 O ATOM 103 CB LEU A 337 -0.597 3.148 -1.599 1.00 0.32 C ATOM 104 CG LEU A 337 -1.068 1.915 -0.820 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.720 0.634 -1.552 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.449 1.910 0.565 1.00 0.39 C ATOM 0 H LEU A 337 -0.530 5.332 -2.663 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.747 2.787 -3.724 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.480 3.067 -1.744 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.769 4.028 -0.979 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.153 1.965 -0.730 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.068 -0.222 -0.973 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.202 0.631 -2.529 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.361 0.570 -1.680 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.789 1.031 1.112 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.637 1.886 0.478 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.750 2.810 1.101 1.00 0.39 H new ATOM 118 N TRP A 338 -3.544 3.722 -2.238 1.00 0.25 N ATOM 119 CA TRP A 338 -4.948 3.358 -2.083 1.00 0.24 C ATOM 120 C TRP A 338 -5.695 3.335 -3.419 1.00 0.24 C ATOM 121 O TRP A 338 -6.680 2.616 -3.563 1.00 0.24 O ATOM 122 CB TRP A 338 -5.664 4.256 -1.063 1.00 0.24 C ATOM 123 CG TRP A 338 -5.432 5.731 -1.234 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.717 6.539 -0.404 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.926 6.576 -2.281 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.731 7.826 -0.869 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.464 7.875 -2.023 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.709 6.362 -3.409 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.763 8.950 -2.857 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.998 7.427 -4.235 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.528 8.706 -3.956 1.00 0.28 C ATOM 0 H TRP A 338 -3.273 4.579 -1.756 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.958 2.341 -1.692 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.735 4.064 -1.123 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.344 3.968 -0.062 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.211 6.212 0.492 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.269 8.621 -0.426 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.086 5.375 -3.635 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.400 9.944 -2.639 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.601 7.265 -5.116 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.774 9.519 -4.623 1.00 0.28 H new ATOM 142 N ASP A 339 -5.228 4.107 -4.396 1.00 0.25 N ATOM 143 CA ASP A 339 -5.887 4.158 -5.700 1.00 0.27 C ATOM 144 C ASP A 339 -5.540 2.912 -6.492 1.00 0.26 C ATOM 145 O ASP A 339 -6.382 2.335 -7.180 1.00 0.33 O ATOM 146 CB ASP A 339 -5.473 5.421 -6.470 1.00 0.36 C ATOM 147 CG ASP A 339 -6.154 5.548 -7.826 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.246 6.156 -7.898 1.00 1.80 O ATOM 149 OD2 ASP A 339 -5.595 5.055 -8.828 1.00 1.19 O ATOM 0 H ASP A 339 -4.403 4.701 -4.313 1.00 0.25 H new ATOM 0 HA ASP A 339 -6.966 4.197 -5.550 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.709 6.299 -5.869 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.392 5.414 -6.613 1.00 0.36 H new ATOM 154 N TYR A 340 -4.295 2.482 -6.352 1.00 0.22 N ATOM 155 CA TYR A 340 -3.816 1.294 -7.030 1.00 0.20 C ATOM 156 C TYR A 340 -4.403 0.028 -6.408 1.00 0.17 C ATOM 157 O TYR A 340 -4.888 -0.851 -7.117 1.00 0.17 O ATOM 158 CB TYR A 340 -2.292 1.241 -6.987 1.00 0.21 C ATOM 159 CG TYR A 340 -1.728 -0.002 -7.620 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.672 -0.134 -8.999 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.258 -1.043 -6.836 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.163 -1.272 -9.584 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.744 -2.187 -7.411 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.699 -2.296 -8.790 1.00 0.24 C ATOM 165 OH TYR A 340 -0.195 -3.433 -9.383 1.00 0.28 O ATOM 0 H TYR A 340 -3.596 2.944 -5.770 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.143 1.344 -8.069 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.889 2.116 -7.497 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -1.961 1.296 -5.950 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -2.033 0.669 -9.625 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.294 -0.958 -5.760 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.128 -1.360 -10.660 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.379 -2.992 -6.790 1.00 0.18 H new ATOM 0 HH TYR A 340 0.726 -3.269 -9.676 1.00 0.28 H new ATOM 175 N VAL A 341 -4.350 -0.065 -5.084 1.00 0.17 N ATOM 176 CA VAL A 341 -4.881 -1.229 -4.378 1.00 0.15 C ATOM 177 C VAL A 341 -6.386 -1.368 -4.613 1.00 0.15 C ATOM 178 O VAL A 341 -6.894 -2.468 -4.822 1.00 0.15 O ATOM 179 CB VAL A 341 -4.568 -1.166 -2.861 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.970 0.166 -2.267 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.258 -2.291 -2.111 1.00 0.15 C ATOM 0 H VAL A 341 -3.946 0.649 -4.478 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.386 -2.112 -4.782 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.489 -1.281 -2.754 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.736 0.175 -1.202 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.423 0.966 -2.765 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.041 0.318 -2.405 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.020 -2.221 -1.050 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.337 -2.211 -2.247 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.914 -3.250 -2.497 1.00 0.15 H new ATOM 191 N TYR A 342 -7.089 -0.243 -4.614 1.00 0.17 N ATOM 192 CA TYR A 342 -8.517 -0.239 -4.896 1.00 0.17 C ATOM 193 C TYR A 342 -8.772 -0.663 -6.342 1.00 0.17 C ATOM 194 O TYR A 342 -9.793 -1.279 -6.653 1.00 0.18 O ATOM 195 CB TYR A 342 -9.110 1.146 -4.631 1.00 0.20 C ATOM 196 CG TYR A 342 -10.603 1.223 -4.848 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.484 0.661 -3.935 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.131 1.843 -5.973 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.847 0.715 -4.135 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.495 1.899 -6.181 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.348 1.335 -5.258 1.00 0.71 C ATOM 202 OH TYR A 342 -14.708 1.383 -5.466 1.00 0.92 O ATOM 0 H TYR A 342 -6.693 0.677 -4.423 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.005 -0.954 -4.234 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.886 1.436 -3.604 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.620 1.871 -5.281 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.096 0.173 -3.053 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.464 2.288 -6.697 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.519 0.273 -3.414 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -12.891 2.382 -7.062 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.894 1.857 -6.304 1.00 0.92 H new ATOM 212 N GLN A 343 -7.833 -0.330 -7.219 1.00 0.18 N ATOM 213 CA GLN A 343 -7.918 -0.707 -8.623 1.00 0.19 C ATOM 214 C GLN A 343 -7.762 -2.219 -8.781 1.00 0.18 C ATOM 215 O GLN A 343 -8.376 -2.829 -9.659 1.00 0.23 O ATOM 216 CB GLN A 343 -6.839 0.019 -9.426 1.00 0.26 C ATOM 217 CG GLN A 343 -6.932 -0.206 -10.924 1.00 0.71 C ATOM 218 CD GLN A 343 -5.807 0.469 -11.677 1.00 1.41 C ATOM 219 OE1 GLN A 343 -4.751 -0.122 -11.898 1.00 2.07 O ATOM 220 NE2 GLN A 343 -6.017 1.715 -12.068 1.00 2.22 N ATOM 0 H GLN A 343 -6.998 0.205 -6.979 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.898 -0.418 -9.002 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -6.907 1.088 -9.224 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.859 -0.309 -9.079 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.913 -1.276 -11.130 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.888 0.172 -11.287 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -6.907 2.170 -11.865 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -5.289 2.221 -12.572 1.00 2.22 H new ATOM 229 N LEU A 344 -6.956 -2.823 -7.911 1.00 0.16 N ATOM 230 CA LEU A 344 -6.754 -4.265 -7.926 1.00 0.15 C ATOM 231 C LEU A 344 -8.042 -4.945 -7.501 1.00 0.17 C ATOM 232 O LEU A 344 -8.389 -6.019 -7.981 1.00 0.24 O ATOM 233 CB LEU A 344 -5.624 -4.670 -6.972 1.00 0.15 C ATOM 234 CG LEU A 344 -4.270 -4.004 -7.217 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.288 -4.418 -6.137 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.725 -4.365 -8.590 1.00 0.19 C ATOM 0 H LEU A 344 -6.432 -2.333 -7.186 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.477 -4.572 -8.934 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.938 -4.446 -5.953 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.492 -5.750 -7.034 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.407 -2.923 -7.182 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.325 -3.940 -6.318 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.668 -4.111 -5.163 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.164 -5.501 -6.154 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.761 -3.878 -8.738 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.600 -5.446 -8.659 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.423 -4.030 -9.358 1.00 0.19 H new ATOM 248 N LEU A 345 -8.754 -4.272 -6.611 1.00 0.18 N ATOM 249 CA LEU A 345 -10.017 -4.760 -6.085 1.00 0.20 C ATOM 250 C LEU A 345 -11.120 -4.722 -7.138 1.00 0.25 C ATOM 251 O LEU A 345 -12.190 -5.296 -6.947 1.00 0.36 O ATOM 252 CB LEU A 345 -10.434 -3.915 -4.882 1.00 0.17 C ATOM 253 CG LEU A 345 -9.536 -4.049 -3.659 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.852 -2.982 -2.630 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.687 -5.427 -3.045 1.00 0.15 C ATOM 0 H LEU A 345 -8.470 -3.368 -6.232 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.873 -5.798 -5.784 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.458 -2.868 -5.183 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.451 -4.189 -4.599 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.504 -3.915 -3.982 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.196 -3.102 -1.768 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.698 -1.996 -3.069 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.890 -3.079 -2.312 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.040 -5.509 -2.172 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.723 -5.580 -2.744 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.407 -6.184 -3.777 1.00 0.15 H new ATOM 267 N SER A 346 -10.859 -4.043 -8.241 1.00 0.28 N ATOM 268 CA SER A 346 -11.860 -3.875 -9.278 1.00 0.35 C ATOM 269 C SER A 346 -11.670 -4.906 -10.386 1.00 0.36 C ATOM 270 O SER A 346 -12.393 -4.898 -11.384 1.00 0.54 O ATOM 271 CB SER A 346 -11.791 -2.453 -9.840 1.00 0.46 C ATOM 272 OG SER A 346 -12.872 -2.180 -10.720 1.00 1.06 O ATOM 0 H SER A 346 -9.963 -3.599 -8.441 1.00 0.28 H new ATOM 0 HA SER A 346 -12.847 -4.033 -8.843 1.00 0.35 H new ATOM 0 HB2 SER A 346 -11.801 -1.737 -9.018 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.848 -2.317 -10.370 1.00 0.46 H new ATOM 0 HG SER A 346 -13.050 -2.969 -11.274 1.00 1.06 H new ATOM 278 N ASP A 347 -10.706 -5.805 -10.209 1.00 0.32 N ATOM 279 CA ASP A 347 -10.428 -6.804 -11.231 1.00 0.34 C ATOM 280 C ASP A 347 -10.185 -8.171 -10.615 1.00 0.34 C ATOM 281 O ASP A 347 -9.461 -8.303 -9.630 1.00 0.43 O ATOM 282 CB ASP A 347 -9.225 -6.402 -12.075 1.00 0.41 C ATOM 283 CG ASP A 347 -9.453 -6.704 -13.540 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.512 -7.896 -13.907 1.00 0.99 O ATOM 285 OD2 ASP A 347 -9.607 -5.747 -14.327 1.00 1.18 O ATOM 0 H ASP A 347 -10.114 -5.861 -9.381 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.307 -6.862 -11.873 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -9.029 -5.337 -11.948 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.340 -6.933 -11.726 1.00 0.41 H new ATOM 290 N SER A 348 -10.781 -9.185 -11.221 1.00 0.40 N ATOM 291 CA SER A 348 -10.701 -10.547 -10.727 1.00 0.43 C ATOM 292 C SER A 348 -9.334 -11.180 -10.991 1.00 0.35 C ATOM 293 O SER A 348 -9.059 -12.281 -10.513 1.00 0.40 O ATOM 294 CB SER A 348 -11.804 -11.372 -11.376 1.00 0.59 C ATOM 295 OG SER A 348 -11.833 -11.166 -12.779 1.00 0.79 O ATOM 0 H SER A 348 -11.335 -9.085 -12.072 1.00 0.40 H new ATOM 0 HA SER A 348 -10.833 -10.527 -9.645 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.646 -12.429 -11.163 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.768 -11.101 -10.945 1.00 0.59 H new ATOM 0 HG SER A 348 -12.548 -11.707 -13.174 1.00 0.79 H new ATOM 301 N ARG A 349 -8.486 -10.500 -11.765 1.00 0.34 N ATOM 302 CA ARG A 349 -7.120 -10.952 -11.984 1.00 0.37 C ATOM 303 C ARG A 349 -6.442 -11.217 -10.655 1.00 0.31 C ATOM 304 O ARG A 349 -5.933 -12.302 -10.381 1.00 0.42 O ATOM 305 CB ARG A 349 -6.315 -9.884 -12.694 1.00 0.45 C ATOM 306 CG ARG A 349 -6.892 -9.412 -14.003 1.00 0.71 C ATOM 307 CD ARG A 349 -5.876 -8.566 -14.727 1.00 1.07 C ATOM 308 NE ARG A 349 -6.349 -8.084 -16.023 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.642 -7.271 -16.810 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.421 -6.884 -16.450 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.151 -6.855 -17.962 1.00 3.43 N ATOM 0 H ARG A 349 -8.726 -9.635 -12.249 1.00 0.34 H new ATOM 0 HA ARG A 349 -7.164 -11.859 -12.587 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -6.213 -9.026 -12.029 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.311 -10.268 -12.875 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.173 -10.267 -14.618 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.800 -8.836 -13.825 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.612 -7.712 -14.103 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.966 -9.148 -14.873 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.269 -8.385 -16.343 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -4.022 -7.209 -15.569 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -3.884 -6.262 -17.055 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.083 -7.157 -18.246 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -5.610 -6.233 -18.564 1.00 3.43 H new ATOM 325 N TYR A 350 -6.476 -10.191 -9.828 1.00 0.26 N ATOM 326 CA TYR A 350 -5.737 -10.163 -8.584 1.00 0.30 C ATOM 327 C TYR A 350 -6.470 -10.879 -7.457 1.00 0.24 C ATOM 328 O TYR A 350 -6.219 -10.598 -6.296 1.00 0.25 O ATOM 329 CB TYR A 350 -5.490 -8.708 -8.195 1.00 0.40 C ATOM 330 CG TYR A 350 -5.102 -7.855 -9.374 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.824 -7.914 -9.903 1.00 0.54 C ATOM 332 CD2 TYR A 350 -6.027 -7.007 -9.972 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.473 -7.149 -10.992 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.684 -6.242 -11.066 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.405 -6.316 -11.572 1.00 0.63 C ATOM 336 OH TYR A 350 -4.054 -5.560 -12.668 1.00 0.72 O ATOM 0 H TYR A 350 -7.022 -9.347 -10.003 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.795 -10.689 -8.737 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.390 -8.300 -7.736 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.701 -8.665 -7.444 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -3.092 -8.570 -9.455 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -7.029 -6.947 -9.574 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.471 -7.201 -11.391 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.413 -5.589 -11.523 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.824 -5.027 -12.958 1.00 0.72 H new ATOM 346 N GLU A 351 -7.358 -11.812 -7.789 1.00 0.22 N ATOM 347 CA GLU A 351 -8.113 -12.546 -6.770 1.00 0.23 C ATOM 348 C GLU A 351 -7.176 -13.283 -5.807 1.00 0.21 C ATOM 349 O GLU A 351 -7.502 -13.482 -4.639 1.00 0.25 O ATOM 350 CB GLU A 351 -9.073 -13.546 -7.416 1.00 0.31 C ATOM 351 CG GLU A 351 -8.380 -14.617 -8.238 1.00 0.36 C ATOM 352 CD GLU A 351 -9.314 -15.737 -8.638 1.00 0.97 C ATOM 353 OE1 GLU A 351 -9.965 -15.631 -9.696 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.393 -16.736 -7.895 1.00 1.45 O ATOM 0 H GLU A 351 -7.574 -12.079 -8.749 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.689 -11.814 -6.205 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.663 -14.026 -6.635 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.770 -13.005 -8.055 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -7.956 -14.165 -9.134 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.549 -15.029 -7.665 1.00 0.36 H new ATOM 361 N ASN A 352 -6.011 -13.675 -6.307 1.00 0.22 N ATOM 362 CA ASN A 352 -5.025 -14.387 -5.501 1.00 0.24 C ATOM 363 C ASN A 352 -4.094 -13.391 -4.816 1.00 0.19 C ATOM 364 O ASN A 352 -3.209 -13.768 -4.056 1.00 0.21 O ATOM 365 CB ASN A 352 -4.222 -15.343 -6.380 1.00 0.32 C ATOM 366 CG ASN A 352 -3.650 -16.545 -5.635 1.00 0.62 C ATOM 367 OD1 ASN A 352 -3.557 -17.637 -6.192 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.240 -16.359 -4.395 1.00 1.06 N ATOM 0 H ASN A 352 -5.724 -13.511 -7.272 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.543 -14.966 -4.737 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -4.861 -15.700 -7.187 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.403 -14.792 -6.842 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -2.832 -17.133 -3.871 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.331 -15.441 -3.960 1.00 1.06 H new ATOM 375 N PHE A 353 -4.301 -12.114 -5.089 1.00 0.16 N ATOM 376 CA PHE A 353 -3.486 -11.065 -4.497 1.00 0.14 C ATOM 377 C PHE A 353 -4.302 -10.268 -3.487 1.00 0.12 C ATOM 378 O PHE A 353 -3.852 -10.012 -2.373 1.00 0.11 O ATOM 379 CB PHE A 353 -2.945 -10.126 -5.580 1.00 0.16 C ATOM 380 CG PHE A 353 -1.987 -10.775 -6.543 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.452 -11.470 -7.650 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.621 -10.680 -6.345 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.571 -12.058 -8.538 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.265 -11.266 -7.231 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.210 -11.956 -8.329 1.00 0.29 C ATOM 0 H PHE A 353 -5.029 -11.777 -5.719 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.645 -11.534 -3.986 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.785 -9.717 -6.142 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.444 -9.286 -5.099 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.515 -11.553 -7.820 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.242 -10.142 -5.489 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.947 -12.597 -9.395 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.329 -11.184 -7.064 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.481 -12.414 -9.022 1.00 0.29 H new ATOM 395 N ILE A 354 -5.496 -9.866 -3.893 1.00 0.11 N ATOM 396 CA ILE A 354 -6.383 -9.090 -3.048 1.00 0.11 C ATOM 397 C ILE A 354 -7.829 -9.222 -3.534 1.00 0.12 C ATOM 398 O ILE A 354 -8.077 -9.305 -4.735 1.00 0.16 O ATOM 399 CB ILE A 354 -5.953 -7.615 -3.039 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.715 -6.844 -1.975 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.156 -6.980 -4.412 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.168 -5.463 -1.747 1.00 0.12 C ATOM 0 H ILE A 354 -5.875 -10.070 -4.818 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.323 -9.475 -2.030 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.890 -7.573 -2.801 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.762 -6.770 -2.267 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.684 -7.401 -1.038 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.844 -5.936 -4.380 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.559 -7.514 -5.152 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.209 -7.036 -4.687 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.754 -4.962 -0.976 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.129 -5.532 -1.426 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.224 -4.892 -2.674 1.00 0.12 H new ATOM 414 N ARG A 355 -8.782 -9.278 -2.611 1.00 0.12 N ATOM 415 CA ARG A 355 -10.183 -9.374 -2.997 1.00 0.14 C ATOM 416 C ARG A 355 -11.119 -8.833 -1.920 1.00 0.14 C ATOM 417 O ARG A 355 -10.773 -8.784 -0.739 1.00 0.15 O ATOM 418 CB ARG A 355 -10.530 -10.820 -3.354 1.00 0.18 C ATOM 419 CG ARG A 355 -10.216 -11.838 -2.272 1.00 0.24 C ATOM 420 CD ARG A 355 -10.061 -13.223 -2.885 1.00 0.40 C ATOM 421 NE ARG A 355 -9.671 -14.243 -1.916 1.00 0.90 N ATOM 422 CZ ARG A 355 -9.421 -15.508 -2.251 1.00 1.53 C ATOM 423 NH1 ARG A 355 -9.516 -15.885 -3.520 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.067 -16.391 -1.327 1.00 2.39 N ATOM 0 H ARG A 355 -8.614 -9.259 -1.605 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.328 -8.747 -3.877 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.593 -10.876 -3.588 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.989 -11.095 -4.260 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.300 -11.557 -1.753 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -11.013 -11.848 -1.529 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.003 -13.515 -3.350 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.314 -13.180 -3.678 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.586 -13.974 -0.936 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -9.780 -15.207 -4.235 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -9.325 -16.853 -3.780 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.984 -16.103 -0.352 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -8.877 -17.358 -1.591 1.00 2.39 H new ATOM 438 N TRP A 356 -12.297 -8.404 -2.359 1.00 0.15 N ATOM 439 CA TRP A 356 -13.322 -7.863 -1.472 1.00 0.16 C ATOM 440 C TRP A 356 -13.951 -8.944 -0.608 1.00 0.18 C ATOM 441 O TRP A 356 -14.402 -9.969 -1.115 1.00 0.25 O ATOM 442 CB TRP A 356 -14.431 -7.203 -2.288 1.00 0.18 C ATOM 443 CG TRP A 356 -14.051 -5.884 -2.873 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.882 -5.584 -4.191 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.796 -4.682 -2.151 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.546 -4.261 -4.328 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.485 -3.689 -3.086 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.802 -4.350 -0.800 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.188 -2.386 -2.708 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.502 -3.060 -0.430 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.198 -2.089 -1.379 1.00 0.20 C ATOM 0 H TRP A 356 -12.569 -8.421 -3.342 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.831 -7.134 -0.828 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.724 -7.876 -3.094 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.305 -7.068 -1.651 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.996 -6.283 -5.006 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.370 -3.782 -5.211 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.039 -5.094 -0.053 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -12.956 -1.632 -3.445 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.502 -2.796 0.617 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -12.966 -1.085 -1.057 1.00 0.20 H new ATOM 462 N GLU A 357 -13.989 -8.699 0.693 1.00 0.18 N ATOM 463 CA GLU A 357 -14.706 -9.560 1.618 1.00 0.22 C ATOM 464 C GLU A 357 -16.109 -9.013 1.842 1.00 0.22 C ATOM 465 O GLU A 357 -17.086 -9.758 1.912 1.00 0.31 O ATOM 466 CB GLU A 357 -13.956 -9.651 2.940 1.00 0.25 C ATOM 467 CG GLU A 357 -12.637 -10.385 2.829 1.00 0.52 C ATOM 468 CD GLU A 357 -12.801 -11.782 2.271 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.537 -12.582 2.887 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.206 -12.080 1.214 1.00 0.79 O ATOM 0 H GLU A 357 -13.527 -7.904 1.134 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.778 -10.561 1.193 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.774 -8.645 3.317 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.585 -10.156 3.673 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -11.961 -9.818 2.189 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.172 -10.442 3.813 1.00 0.52 H new ATOM 477 N ASP A 358 -16.190 -7.696 1.962 1.00 0.19 N ATOM 478 CA ASP A 358 -17.464 -6.996 2.031 1.00 0.22 C ATOM 479 C ASP A 358 -17.317 -5.655 1.336 1.00 0.20 C ATOM 480 O ASP A 358 -16.922 -4.666 1.947 1.00 0.22 O ATOM 481 CB ASP A 358 -17.910 -6.786 3.477 1.00 0.28 C ATOM 482 CG ASP A 358 -19.370 -6.381 3.575 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.725 -5.268 3.135 1.00 2.07 O ATOM 484 OD2 ASP A 358 -20.178 -7.185 4.083 1.00 1.30 O ATOM 0 H ASP A 358 -15.376 -7.084 2.014 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.225 -7.600 1.537 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.751 -7.705 4.041 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.290 -6.017 3.938 1.00 0.28 H new ATOM 489 N LYS A 359 -17.630 -5.639 0.052 1.00 0.23 N ATOM 490 CA LYS A 359 -17.354 -4.489 -0.796 1.00 0.26 C ATOM 491 C LYS A 359 -18.184 -3.266 -0.406 1.00 0.28 C ATOM 492 O LYS A 359 -17.756 -2.128 -0.613 1.00 0.33 O ATOM 493 CB LYS A 359 -17.585 -4.861 -2.258 1.00 0.35 C ATOM 494 CG LYS A 359 -17.396 -3.703 -3.220 1.00 0.41 C ATOM 495 CD LYS A 359 -17.252 -4.183 -4.650 1.00 0.60 C ATOM 496 CE LYS A 359 -17.379 -3.031 -5.628 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.762 -2.487 -5.644 1.00 1.65 N ATOM 0 H LYS A 359 -18.080 -6.417 -0.431 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.309 -4.213 -0.654 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -16.901 -5.664 -2.532 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.596 -5.252 -2.369 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.247 -3.026 -3.147 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.511 -3.134 -2.936 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.284 -4.668 -4.778 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.015 -4.932 -4.864 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.678 -2.241 -5.356 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -17.107 -3.368 -6.628 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.922 -1.970 -6.532 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -19.444 -3.269 -5.571 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.890 -1.840 -4.840 1.00 1.65 H new ATOM 511 N GLU A 360 -19.353 -3.491 0.173 1.00 0.32 N ATOM 512 CA GLU A 360 -20.223 -2.394 0.553 1.00 0.36 C ATOM 513 C GLU A 360 -19.743 -1.748 1.848 1.00 0.34 C ATOM 514 O GLU A 360 -19.771 -0.524 1.992 1.00 0.42 O ATOM 515 CB GLU A 360 -21.658 -2.882 0.693 1.00 0.45 C ATOM 516 CG GLU A 360 -22.665 -1.759 0.829 1.00 0.94 C ATOM 517 CD GLU A 360 -24.067 -2.214 0.513 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.384 -2.369 -0.684 1.00 1.33 O ATOM 519 OE2 GLU A 360 -24.855 -2.428 1.456 1.00 1.40 O ATOM 0 H GLU A 360 -19.718 -4.419 0.388 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.190 -1.639 -0.232 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -21.915 -3.487 -0.177 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.729 -3.532 1.565 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.633 -1.364 1.845 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.390 -0.943 0.161 1.00 0.94 H new ATOM 526 N SER A 361 -19.300 -2.578 2.786 1.00 0.28 N ATOM 527 CA SER A 361 -18.694 -2.095 4.014 1.00 0.27 C ATOM 528 C SER A 361 -17.293 -1.563 3.741 1.00 0.23 C ATOM 529 O SER A 361 -16.700 -0.881 4.580 1.00 0.25 O ATOM 530 CB SER A 361 -18.646 -3.224 5.042 1.00 0.29 C ATOM 531 OG SER A 361 -19.953 -3.600 5.441 1.00 1.10 O ATOM 0 H SER A 361 -19.351 -3.594 2.715 1.00 0.28 H new ATOM 0 HA SER A 361 -19.297 -1.279 4.412 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.129 -4.085 4.619 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.073 -2.904 5.913 1.00 0.29 H new ATOM 0 HG SER A 361 -20.331 -4.219 4.782 1.00 1.10 H new ATOM 537 N LYS A 362 -16.794 -1.874 2.541 1.00 0.20 N ATOM 538 CA LYS A 362 -15.457 -1.489 2.094 1.00 0.19 C ATOM 539 C LYS A 362 -14.394 -2.323 2.807 1.00 0.15 C ATOM 540 O LYS A 362 -13.241 -1.913 2.937 1.00 0.16 O ATOM 541 CB LYS A 362 -15.211 0.010 2.305 1.00 0.24 C ATOM 542 CG LYS A 362 -16.300 0.896 1.712 1.00 0.33 C ATOM 543 CD LYS A 362 -16.359 0.784 0.202 1.00 0.46 C ATOM 544 CE LYS A 362 -17.612 1.439 -0.360 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.702 2.885 -0.026 1.00 1.83 N ATOM 0 H LYS A 362 -17.316 -2.407 1.846 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.388 -1.687 1.024 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.133 0.210 3.374 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.253 0.279 1.860 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.265 0.617 2.135 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.117 1.933 1.992 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.476 1.253 -0.233 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.336 -0.267 -0.087 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -17.625 1.319 -1.443 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -18.491 0.925 0.028 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.547 3.293 -0.475 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.769 3.000 1.006 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -16.854 3.375 -0.375 1.00 1.83 H new ATOM 559 N ILE A 363 -14.799 -3.504 3.256 1.00 0.14 N ATOM 560 CA ILE A 363 -13.895 -4.451 3.896 1.00 0.13 C ATOM 561 C ILE A 363 -13.231 -5.310 2.822 1.00 0.11 C ATOM 562 O ILE A 363 -13.912 -5.995 2.052 1.00 0.14 O ATOM 563 CB ILE A 363 -14.639 -5.370 4.912 1.00 0.15 C ATOM 564 CG1 ILE A 363 -14.983 -4.645 6.221 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.797 -6.591 5.238 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.654 -3.314 6.060 1.00 0.19 C ATOM 0 H ILE A 363 -15.762 -3.832 3.187 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.147 -3.884 4.450 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.571 -5.667 4.432 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.630 -5.290 6.815 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.065 -4.504 6.791 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.331 -7.222 5.949 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.605 -7.155 4.325 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.850 -6.274 5.675 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.854 -2.886 7.042 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.003 -2.644 5.498 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.593 -3.443 5.522 1.00 0.19 H new ATOM 578 N PHE A 364 -11.914 -5.271 2.763 1.00 0.09 N ATOM 579 CA PHE A 364 -11.185 -5.974 1.721 1.00 0.08 C ATOM 580 C PHE A 364 -10.033 -6.772 2.318 1.00 0.08 C ATOM 581 O PHE A 364 -9.420 -6.349 3.301 1.00 0.09 O ATOM 582 CB PHE A 364 -10.671 -4.978 0.676 1.00 0.09 C ATOM 583 CG PHE A 364 -9.469 -4.179 1.105 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.582 -3.141 2.015 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.224 -4.467 0.581 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.468 -2.407 2.391 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.112 -3.740 0.949 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.230 -2.710 1.852 1.00 0.10 C ATOM 0 H PHE A 364 -11.326 -4.761 3.422 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.862 -6.674 1.231 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.421 -5.524 -0.234 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.477 -4.289 0.424 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.547 -2.901 2.436 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.120 -5.275 -0.128 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.566 -1.601 3.103 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.147 -3.980 0.527 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.359 -2.139 2.140 1.00 0.10 H new ATOM 598 N ARG A 365 -9.738 -7.924 1.733 1.00 0.08 N ATOM 599 CA ARG A 365 -8.689 -8.781 2.250 1.00 0.09 C ATOM 600 C ARG A 365 -7.505 -8.803 1.317 1.00 0.09 C ATOM 601 O ARG A 365 -7.644 -9.057 0.119 1.00 0.10 O ATOM 602 CB ARG A 365 -9.189 -10.214 2.454 1.00 0.13 C ATOM 603 CG ARG A 365 -8.081 -11.207 2.781 1.00 0.20 C ATOM 604 CD ARG A 365 -8.582 -12.647 2.787 1.00 0.26 C ATOM 605 NE ARG A 365 -9.537 -12.910 3.866 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.543 -13.788 3.776 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.706 -14.512 2.678 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.380 -13.959 4.792 1.00 1.14 N ATOM 0 H ARG A 365 -10.210 -8.283 0.903 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.386 -8.370 3.213 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.922 -10.222 3.260 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.704 -10.542 1.551 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.278 -11.106 2.051 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.657 -10.968 3.756 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.053 -12.867 1.829 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.732 -13.322 2.887 1.00 0.26 H new ATOM 0 HE ARG A 365 -9.429 -12.393 4.738 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -10.062 -14.402 1.894 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.475 -15.179 2.617 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.259 -13.419 5.649 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -12.144 -14.630 4.716 1.00 1.14 H new ATOM 622 N ILE A 366 -6.340 -8.543 1.871 1.00 0.09 N ATOM 623 CA ILE A 366 -5.120 -8.733 1.131 1.00 0.09 C ATOM 624 C ILE A 366 -4.754 -10.207 1.169 1.00 0.09 C ATOM 625 O ILE A 366 -4.419 -10.766 2.218 1.00 0.12 O ATOM 626 CB ILE A 366 -3.985 -7.838 1.655 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.290 -6.390 1.249 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.641 -8.303 1.118 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.240 -5.381 1.649 1.00 0.12 C ATOM 0 H ILE A 366 -6.216 -8.202 2.824 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.275 -8.431 0.095 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.925 -7.901 2.742 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.417 -6.351 0.167 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.242 -6.097 1.692 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.852 -7.656 1.501 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.456 -9.328 1.438 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.649 -8.259 0.029 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.545 -4.388 1.319 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.127 -5.384 2.733 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.289 -5.642 1.184 1.00 0.12 H new ATOM 641 N VAL A 367 -4.879 -10.823 0.010 1.00 0.10 N ATOM 642 CA VAL A 367 -4.806 -12.263 -0.137 1.00 0.12 C ATOM 643 C VAL A 367 -3.361 -12.743 -0.223 1.00 0.13 C ATOM 644 O VAL A 367 -2.982 -13.723 0.421 1.00 0.19 O ATOM 645 CB VAL A 367 -5.607 -12.684 -1.382 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.367 -14.130 -1.749 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.083 -12.435 -1.149 1.00 0.20 C ATOM 0 H VAL A 367 -5.036 -10.330 -0.869 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.241 -12.731 0.746 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.263 -12.079 -2.221 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.952 -14.383 -2.633 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.308 -14.281 -1.959 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.667 -14.771 -0.920 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.646 -12.734 -2.033 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.419 -13.016 -0.290 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.247 -11.375 -0.956 1.00 0.20 H new ATOM 657 N ASP A 368 -2.556 -12.048 -1.006 1.00 0.12 N ATOM 658 CA ASP A 368 -1.135 -12.348 -1.093 1.00 0.13 C ATOM 659 C ASP A 368 -0.340 -11.073 -0.914 1.00 0.12 C ATOM 660 O ASP A 368 -0.015 -10.382 -1.877 1.00 0.12 O ATOM 661 CB ASP A 368 -0.781 -13.014 -2.422 1.00 0.18 C ATOM 662 CG ASP A 368 0.608 -13.622 -2.410 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.602 -12.872 -2.521 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.711 -14.859 -2.290 1.00 0.52 O ATOM 0 H ASP A 368 -2.861 -11.271 -1.592 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.883 -13.051 -0.299 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.513 -13.791 -2.643 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.846 -12.278 -3.223 1.00 0.18 H new ATOM 669 N PRO A 369 -0.058 -10.734 0.345 1.00 0.11 N ATOM 670 CA PRO A 369 0.612 -9.495 0.719 1.00 0.11 C ATOM 671 C PRO A 369 1.956 -9.275 0.030 1.00 0.12 C ATOM 672 O PRO A 369 2.283 -8.151 -0.349 1.00 0.14 O ATOM 673 CB PRO A 369 0.785 -9.648 2.230 1.00 0.13 C ATOM 674 CG PRO A 369 -0.339 -10.508 2.614 1.00 0.13 C ATOM 675 CD PRO A 369 -0.421 -11.516 1.530 1.00 0.13 C ATOM 0 HA PRO A 369 0.034 -8.622 0.415 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.743 -10.103 2.481 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.746 -8.685 2.739 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.166 -10.979 3.582 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.265 -9.938 2.697 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.266 -12.346 1.695 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.421 -11.941 1.445 1.00 0.13 H new ATOM 683 N ASN A 370 2.726 -10.341 -0.132 1.00 0.15 N ATOM 684 CA ASN A 370 4.032 -10.242 -0.787 1.00 0.18 C ATOM 685 C ASN A 370 3.842 -9.768 -2.225 1.00 0.16 C ATOM 686 O ASN A 370 4.482 -8.812 -2.671 1.00 0.17 O ATOM 687 CB ASN A 370 4.745 -11.600 -0.769 1.00 0.25 C ATOM 688 CG ASN A 370 6.228 -11.507 -1.099 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.668 -10.622 -1.829 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.015 -12.420 -0.549 1.00 0.99 N ATOM 0 H ASN A 370 2.476 -11.280 0.177 1.00 0.15 H new ATOM 0 HA ASN A 370 4.649 -9.524 -0.247 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.627 -12.051 0.216 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.262 -12.265 -1.484 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.019 -12.402 -0.727 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.617 -13.141 0.052 1.00 0.99 H new ATOM 697 N GLY A 371 2.926 -10.422 -2.927 1.00 0.16 N ATOM 698 CA GLY A 371 2.633 -10.062 -4.301 1.00 0.17 C ATOM 699 C GLY A 371 1.921 -8.730 -4.410 1.00 0.14 C ATOM 700 O GLY A 371 2.122 -7.994 -5.372 1.00 0.16 O ATOM 0 H GLY A 371 2.376 -11.202 -2.566 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.562 -10.022 -4.869 1.00 0.17 H new ATOM 0 HA3 GLY A 371 2.016 -10.839 -4.754 1.00 0.17 H new ATOM 704 N LEU A 372 1.083 -8.425 -3.424 1.00 0.13 N ATOM 705 CA LEU A 372 0.375 -7.150 -3.375 1.00 0.12 C ATOM 706 C LEU A 372 1.388 -6.012 -3.303 1.00 0.12 C ATOM 707 O LEU A 372 1.288 -5.018 -4.026 1.00 0.12 O ATOM 708 CB LEU A 372 -0.553 -7.118 -2.150 1.00 0.12 C ATOM 709 CG LEU A 372 -1.833 -6.285 -2.288 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.529 -4.804 -2.474 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.664 -6.804 -3.447 1.00 0.14 C ATOM 0 H LEU A 372 0.877 -9.048 -2.643 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.230 -7.032 -4.274 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.836 -8.143 -1.909 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.014 -6.736 -1.301 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.399 -6.386 -1.362 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.463 -4.250 -2.568 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.973 -4.436 -1.612 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.933 -4.665 -3.376 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.572 -6.208 -3.539 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.087 -6.732 -4.369 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.931 -7.845 -3.266 1.00 0.14 H new ATOM 723 N ALA A 373 2.370 -6.185 -2.430 1.00 0.13 N ATOM 724 CA ALA A 373 3.473 -5.246 -2.294 1.00 0.16 C ATOM 725 C ALA A 373 4.239 -5.127 -3.608 1.00 0.18 C ATOM 726 O ALA A 373 4.577 -4.028 -4.042 1.00 0.22 O ATOM 727 CB ALA A 373 4.390 -5.714 -1.189 1.00 0.18 C ATOM 0 H ALA A 373 2.424 -6.982 -1.795 1.00 0.13 H new ATOM 0 HA ALA A 373 3.079 -4.261 -2.044 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.219 -5.014 -1.083 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.835 -5.764 -0.252 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.779 -6.702 -1.433 1.00 0.18 H new ATOM 733 N ARG A 374 4.505 -6.271 -4.236 1.00 0.19 N ATOM 734 CA ARG A 374 5.174 -6.310 -5.531 1.00 0.24 C ATOM 735 C ARG A 374 4.378 -5.566 -6.596 1.00 0.19 C ATOM 736 O ARG A 374 4.948 -4.831 -7.398 1.00 0.21 O ATOM 737 CB ARG A 374 5.396 -7.753 -5.962 1.00 0.33 C ATOM 738 CG ARG A 374 6.496 -8.439 -5.183 1.00 0.67 C ATOM 739 CD ARG A 374 7.851 -7.835 -5.502 1.00 0.92 C ATOM 740 NE ARG A 374 8.935 -8.519 -4.803 1.00 1.47 N ATOM 741 CZ ARG A 374 10.166 -8.655 -5.291 1.00 1.99 C ATOM 742 NH1 ARG A 374 10.484 -8.141 -6.474 1.00 2.45 N ATOM 743 NH2 ARG A 374 11.082 -9.306 -4.593 1.00 2.67 N ATOM 0 H ARG A 374 4.264 -7.189 -3.863 1.00 0.19 H new ATOM 0 HA ARG A 374 6.137 -5.811 -5.423 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.468 -8.311 -5.837 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.641 -7.776 -7.024 1.00 0.33 H new ATOM 0 HG2 ARG A 374 6.298 -8.352 -4.115 1.00 0.67 H new ATOM 0 HG3 ARG A 374 6.504 -9.503 -5.420 1.00 0.67 H new ATOM 0 HD2 ARG A 374 8.025 -7.884 -6.577 1.00 0.92 H new ATOM 0 HD3 ARG A 374 7.851 -6.780 -5.227 1.00 0.92 H new ATOM 0 HE ARG A 374 8.737 -8.917 -3.885 1.00 1.47 H new ATOM 0 HH11 ARG A 374 9.782 -7.637 -7.016 1.00 2.45 H new ATOM 0 HH12 ARG A 374 11.430 -8.250 -6.840 1.00 2.45 H new ATOM 0 HH21 ARG A 374 10.844 -9.702 -3.684 1.00 2.67 H new ATOM 0 HH22 ARG A 374 12.026 -9.412 -4.964 1.00 2.67 H new ATOM 757 N LEU A 375 3.065 -5.766 -6.601 1.00 0.17 N ATOM 758 CA LEU A 375 2.181 -5.070 -7.530 1.00 0.18 C ATOM 759 C LEU A 375 2.307 -3.564 -7.352 1.00 0.19 C ATOM 760 O LEU A 375 2.474 -2.821 -8.320 1.00 0.22 O ATOM 761 CB LEU A 375 0.724 -5.491 -7.305 1.00 0.18 C ATOM 762 CG LEU A 375 0.381 -6.930 -7.692 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.054 -7.254 -7.311 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.582 -7.145 -9.181 1.00 0.26 C ATOM 0 H LEU A 375 2.587 -6.408 -5.969 1.00 0.17 H new ATOM 0 HA LEU A 375 2.476 -5.338 -8.545 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.483 -5.351 -6.251 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.079 -4.819 -7.871 1.00 0.18 H new ATOM 0 HG LEU A 375 1.050 -7.597 -7.149 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.282 -8.282 -7.593 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.180 -7.137 -6.235 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.731 -6.576 -7.831 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.333 -8.175 -9.437 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.065 -6.466 -9.737 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.622 -6.948 -9.440 1.00 0.26 H new ATOM 776 N TRP A 376 2.223 -3.118 -6.109 1.00 0.18 N ATOM 777 CA TRP A 376 2.328 -1.702 -5.803 1.00 0.20 C ATOM 778 C TRP A 376 3.732 -1.194 -6.126 1.00 0.25 C ATOM 779 O TRP A 376 3.896 -0.083 -6.625 1.00 0.30 O ATOM 780 CB TRP A 376 1.972 -1.461 -4.338 1.00 0.20 C ATOM 781 CG TRP A 376 2.069 -0.029 -3.914 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.265 1.004 -4.307 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.017 0.526 -2.999 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.672 2.171 -3.703 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.742 1.901 -2.894 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.078 -0.006 -2.260 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.485 2.748 -2.081 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.815 0.836 -1.452 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.514 2.200 -1.366 1.00 0.35 C ATOM 0 H TRP A 376 2.082 -3.717 -5.296 1.00 0.18 H new ATOM 0 HA TRP A 376 1.623 -1.145 -6.420 1.00 0.20 H new ATOM 0 HB2 TRP A 376 0.956 -1.814 -4.159 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.633 -2.060 -3.711 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.433 0.917 -4.990 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.246 3.088 -3.836 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.317 -1.058 -2.320 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.258 3.802 -2.016 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.637 0.436 -0.877 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.106 2.833 -0.722 1.00 0.35 H new ATOM 800 N GLY A 377 4.734 -2.022 -5.851 1.00 0.27 N ATOM 801 CA GLY A 377 6.089 -1.724 -6.278 1.00 0.33 C ATOM 802 C GLY A 377 6.152 -1.521 -7.778 1.00 0.38 C ATOM 803 O GLY A 377 6.738 -0.558 -8.256 1.00 0.41 O ATOM 0 H GLY A 377 4.631 -2.898 -5.338 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.445 -0.828 -5.771 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.753 -2.539 -5.989 1.00 0.33 H new ATOM 807 N ASN A 378 5.518 -2.429 -8.507 1.00 0.41 N ATOM 808 CA ASN A 378 5.398 -2.331 -9.960 1.00 0.50 C ATOM 809 C ASN A 378 4.821 -0.978 -10.378 1.00 0.51 C ATOM 810 O ASN A 378 5.335 -0.321 -11.285 1.00 0.62 O ATOM 811 CB ASN A 378 4.520 -3.479 -10.473 1.00 0.54 C ATOM 812 CG ASN A 378 3.975 -3.245 -11.869 1.00 0.72 C ATOM 813 OD1 ASN A 378 4.658 -3.481 -12.864 1.00 0.89 O ATOM 814 ND2 ASN A 378 2.719 -2.826 -11.950 1.00 1.06 N ATOM 0 H ASN A 378 5.071 -3.256 -8.110 1.00 0.41 H new ATOM 0 HA ASN A 378 6.391 -2.410 -10.402 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.101 -4.401 -10.468 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.687 -3.624 -9.786 1.00 0.54 H new ATOM 0 HD21 ASN A 378 2.285 -2.688 -12.863 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.187 -2.642 -11.099 1.00 1.06 H new ATOM 821 N HIS A 379 3.760 -0.563 -9.698 1.00 0.44 N ATOM 822 CA HIS A 379 3.114 0.715 -9.971 1.00 0.49 C ATOM 823 C HIS A 379 4.039 1.885 -9.623 1.00 0.53 C ATOM 824 O HIS A 379 4.062 2.902 -10.317 1.00 0.67 O ATOM 825 CB HIS A 379 1.807 0.804 -9.177 1.00 0.51 C ATOM 826 CG HIS A 379 1.074 2.108 -9.308 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.268 2.381 -10.388 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.035 3.158 -8.454 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.243 3.581 -10.162 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.196 4.091 -9.002 1.00 0.89 N ATOM 0 H HIS A 379 3.325 -1.098 -8.947 1.00 0.44 H new ATOM 0 HA HIS A 379 2.893 0.777 -11.036 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.147 -0.001 -9.501 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.027 0.632 -8.123 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.566 3.243 -7.517 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.927 4.086 -10.828 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.048 4.998 -8.605 1.00 0.89 H new ATOM 838 N LYS A 380 4.814 1.729 -8.558 1.00 0.47 N ATOM 839 CA LYS A 380 5.695 2.789 -8.084 1.00 0.55 C ATOM 840 C LYS A 380 7.111 2.621 -8.635 1.00 0.56 C ATOM 841 O LYS A 380 8.070 3.083 -8.018 1.00 0.70 O ATOM 842 CB LYS A 380 5.734 2.802 -6.555 1.00 0.62 C ATOM 843 CG LYS A 380 4.366 2.978 -5.921 1.00 0.79 C ATOM 844 CD LYS A 380 3.693 4.263 -6.377 1.00 0.75 C ATOM 845 CE LYS A 380 4.416 5.497 -5.863 1.00 0.84 C ATOM 846 NZ LYS A 380 3.638 6.737 -6.121 1.00 1.36 N ATOM 0 H LYS A 380 4.851 0.874 -8.003 1.00 0.47 H new ATOM 0 HA LYS A 380 5.297 3.738 -8.444 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.173 1.869 -6.202 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.388 3.608 -6.222 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.735 2.127 -6.176 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.467 2.986 -4.836 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.661 4.289 -7.466 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.661 4.276 -6.027 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.594 5.395 -4.792 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.392 5.573 -6.342 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.170 7.560 -5.772 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.475 6.838 -7.143 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.724 6.682 -5.629 1.00 1.36 H new ATOM 860 N ASN A 381 7.219 1.939 -9.784 1.00 0.52 N ATOM 861 CA ASN A 381 8.498 1.680 -10.476 1.00 0.60 C ATOM 862 C ASN A 381 9.584 1.172 -9.518 1.00 0.59 C ATOM 863 O ASN A 381 10.779 1.431 -9.698 1.00 0.76 O ATOM 864 CB ASN A 381 8.983 2.913 -11.273 1.00 0.76 C ATOM 865 CG ASN A 381 9.382 4.109 -10.417 1.00 1.50 C ATOM 866 OD1 ASN A 381 10.534 4.229 -9.994 1.00 2.30 O ATOM 867 ND2 ASN A 381 8.447 5.018 -10.186 1.00 2.17 N ATOM 0 H ASN A 381 6.412 1.545 -10.268 1.00 0.52 H new ATOM 0 HA ASN A 381 8.305 0.882 -11.193 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.837 2.620 -11.884 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.192 3.221 -11.957 1.00 0.76 H new ATOM 0 HD21 ASN A 381 8.669 5.852 -9.642 1.00 2.17 H new ATOM 0 HD22 ASN A 381 7.504 4.885 -10.552 1.00 2.17 H new ATOM 874 N ARG A 382 9.157 0.409 -8.527 1.00 0.49 N ATOM 875 CA ARG A 382 10.050 -0.122 -7.512 1.00 0.55 C ATOM 876 C ARG A 382 10.318 -1.604 -7.744 1.00 0.67 C ATOM 877 O ARG A 382 9.486 -2.317 -8.301 1.00 0.79 O ATOM 878 CB ARG A 382 9.449 0.109 -6.121 1.00 0.51 C ATOM 879 CG ARG A 382 9.574 1.541 -5.640 1.00 0.70 C ATOM 880 CD ARG A 382 11.023 1.996 -5.665 1.00 1.09 C ATOM 881 NE ARG A 382 11.202 3.369 -5.193 1.00 1.88 N ATOM 882 CZ ARG A 382 12.292 4.094 -5.445 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.244 3.610 -6.236 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.421 5.310 -4.928 1.00 3.26 N ATOM 0 H ARG A 382 8.181 0.140 -8.403 1.00 0.49 H new ATOM 0 HA ARG A 382 11.004 0.402 -7.577 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.395 -0.170 -6.138 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.942 -0.550 -5.407 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.972 2.195 -6.271 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.180 1.625 -4.627 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.619 1.325 -5.046 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.405 1.915 -6.683 1.00 1.09 H new ATOM 0 HE ARG A 382 10.455 3.793 -4.643 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.141 2.684 -6.650 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.078 4.165 -6.429 1.00 2.40 H new ATOM 0 HH21 ARG A 382 11.684 5.693 -4.335 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.257 5.861 -5.123 1.00 3.26 H new ATOM 943 N THR A 386 8.468 -5.751 -0.554 1.00 0.33 N ATOM 944 CA THR A 386 7.840 -6.747 0.293 1.00 0.28 C ATOM 945 C THR A 386 6.674 -6.104 1.055 1.00 0.21 C ATOM 946 O THR A 386 6.637 -4.883 1.155 1.00 0.24 O ATOM 947 CB THR A 386 8.891 -7.310 1.267 1.00 0.33 C ATOM 948 OG1 THR A 386 9.913 -7.998 0.536 1.00 0.54 O ATOM 949 CG2 THR A 386 8.271 -8.230 2.288 1.00 0.26 C ATOM 0 HA THR A 386 7.447 -7.565 -0.310 1.00 0.28 H new ATOM 0 HB THR A 386 9.331 -6.471 1.806 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.096 -7.520 -0.300 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.045 -8.606 2.956 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.527 -7.683 2.867 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.792 -9.067 1.780 1.00 0.26 H new ATOM 957 N TYR A 387 5.710 -6.878 1.559 1.00 0.19 N ATOM 958 CA TYR A 387 4.545 -6.270 2.204 1.00 0.17 C ATOM 959 C TYR A 387 4.947 -5.435 3.406 1.00 0.16 C ATOM 960 O TYR A 387 4.485 -4.312 3.552 1.00 0.18 O ATOM 961 CB TYR A 387 3.511 -7.284 2.644 1.00 0.19 C ATOM 962 CG TYR A 387 2.223 -6.602 3.035 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.075 -6.004 4.280 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.166 -6.533 2.147 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.910 -5.358 4.623 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.002 -5.894 2.483 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.124 -5.305 3.720 1.00 0.26 C ATOM 968 OH TYR A 387 -1.287 -4.669 4.062 1.00 0.30 O ATOM 0 H TYR A 387 5.710 -7.898 1.535 1.00 0.19 H new ATOM 0 HA TYR A 387 4.096 -5.634 1.441 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.322 -7.991 1.836 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.894 -7.858 3.488 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.888 -6.047 4.990 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.260 -6.989 1.173 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.809 -4.896 5.594 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.821 -5.854 1.780 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.926 -5.323 4.416 1.00 0.30 H new ATOM 978 N GLU A 388 5.787 -5.988 4.271 1.00 0.20 N ATOM 979 CA GLU A 388 6.310 -5.247 5.416 1.00 0.26 C ATOM 980 C GLU A 388 6.936 -3.934 4.958 1.00 0.25 C ATOM 981 O GLU A 388 7.020 -2.960 5.706 1.00 0.31 O ATOM 982 CB GLU A 388 7.346 -6.094 6.146 1.00 0.38 C ATOM 983 CG GLU A 388 6.754 -7.182 7.033 1.00 1.00 C ATOM 984 CD GLU A 388 5.651 -7.977 6.363 1.00 1.78 C ATOM 985 OE1 GLU A 388 5.936 -8.694 5.382 1.00 2.37 O ATOM 986 OE2 GLU A 388 4.487 -7.868 6.804 1.00 2.34 O ATOM 0 H GLU A 388 6.123 -6.949 4.203 1.00 0.20 H new ATOM 0 HA GLU A 388 5.488 -5.020 6.095 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.002 -6.559 5.410 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.967 -5.440 6.758 1.00 0.38 H new ATOM 0 HG2 GLU A 388 7.548 -7.864 7.337 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.361 -6.725 7.941 1.00 1.00 H new ATOM 993 N LYS A 389 7.392 -3.948 3.723 1.00 0.24 N ATOM 994 CA LYS A 389 7.971 -2.787 3.084 1.00 0.28 C ATOM 995 C LYS A 389 6.887 -1.871 2.490 1.00 0.26 C ATOM 996 O LYS A 389 7.061 -0.655 2.420 1.00 0.32 O ATOM 997 CB LYS A 389 8.988 -3.267 2.048 1.00 0.34 C ATOM 998 CG LYS A 389 9.982 -4.215 2.690 1.00 0.46 C ATOM 999 CD LYS A 389 11.166 -4.540 1.804 1.00 0.52 C ATOM 1000 CE LYS A 389 12.244 -5.257 2.606 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.494 -4.585 3.915 1.00 1.62 N ATOM 0 H LYS A 389 7.370 -4.776 3.128 1.00 0.24 H new ATOM 0 HA LYS A 389 8.490 -2.171 3.818 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.474 -3.768 1.228 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.513 -2.413 1.620 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.344 -3.775 3.619 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.471 -5.141 2.954 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.845 -5.166 0.972 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.571 -3.623 1.375 1.00 0.52 H new ATOM 0 HE2 LYS A 389 11.943 -6.290 2.779 1.00 0.72 H new ATOM 0 HE3 LYS A 389 13.168 -5.286 2.029 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.465 -4.786 4.228 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 12.370 -3.558 3.807 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 11.821 -4.942 4.623 1.00 1.62 H new ATOM 1015 N MET A 390 5.770 -2.468 2.070 1.00 0.19 N ATOM 1016 CA MET A 390 4.627 -1.721 1.529 1.00 0.20 C ATOM 1017 C MET A 390 3.781 -1.108 2.655 1.00 0.20 C ATOM 1018 O MET A 390 3.236 -0.010 2.510 1.00 0.22 O ATOM 1019 CB MET A 390 3.744 -2.639 0.670 1.00 0.18 C ATOM 1020 CG MET A 390 2.315 -2.780 1.179 1.00 0.23 C ATOM 1021 SD MET A 390 1.283 -3.803 0.118 1.00 0.68 S ATOM 1022 CE MET A 390 1.141 -2.747 -1.317 1.00 1.18 C ATOM 0 H MET A 390 5.630 -3.478 2.094 1.00 0.19 H new ATOM 0 HA MET A 390 5.023 -0.915 0.911 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.719 -2.252 -0.349 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.202 -3.627 0.625 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.334 -3.210 2.181 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.867 -1.790 1.265 1.00 0.23 H new ATOM 0 HE1 MET A 390 1.346 -3.327 -2.217 1.00 1.18 H new ATOM 0 HE2 MET A 390 0.132 -2.339 -1.370 1.00 1.18 H new ATOM 0 HE3 MET A 390 1.859 -1.930 -1.240 1.00 1.18 H new ATOM 1032 N SER A 391 3.684 -1.832 3.773 1.00 0.20 N ATOM 1033 CA SER A 391 2.820 -1.452 4.892 1.00 0.21 C ATOM 1034 C SER A 391 3.210 -0.093 5.457 1.00 0.18 C ATOM 1035 O SER A 391 2.414 0.571 6.115 1.00 0.18 O ATOM 1036 CB SER A 391 2.869 -2.516 5.988 1.00 0.26 C ATOM 1037 OG SER A 391 4.199 -2.791 6.387 1.00 0.64 O ATOM 0 H SER A 391 4.202 -2.697 3.927 1.00 0.20 H new ATOM 0 HA SER A 391 1.800 -1.379 4.516 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.292 -2.179 6.849 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.399 -3.432 5.628 1.00 0.26 H new ATOM 0 HG SER A 391 4.195 -3.474 7.090 1.00 0.64 H new ATOM 1043 N ARG A 392 4.443 0.307 5.196 1.00 0.19 N ATOM 1044 CA ARG A 392 4.948 1.599 5.642 1.00 0.20 C ATOM 1045 C ARG A 392 4.110 2.736 5.058 1.00 0.19 C ATOM 1046 O ARG A 392 3.894 3.754 5.711 1.00 0.23 O ATOM 1047 CB ARG A 392 6.409 1.769 5.232 1.00 0.24 C ATOM 1048 CG ARG A 392 7.372 0.809 5.904 1.00 0.52 C ATOM 1049 CD ARG A 392 7.639 1.200 7.344 1.00 0.67 C ATOM 1050 NE ARG A 392 8.704 0.392 7.934 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.860 0.886 8.381 1.00 1.66 C ATOM 1052 NH1 ARG A 392 10.079 2.198 8.368 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.792 0.063 8.849 1.00 2.48 N ATOM 0 H ARG A 392 5.120 -0.249 4.673 1.00 0.19 H new ATOM 0 HA ARG A 392 4.878 1.635 6.729 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.486 1.643 4.152 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.719 2.790 5.457 1.00 0.24 H new ATOM 0 HG2 ARG A 392 6.962 -0.200 5.871 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.312 0.790 5.352 1.00 0.52 H new ATOM 0 HD2 ARG A 392 7.913 2.254 7.390 1.00 0.67 H new ATOM 0 HD3 ARG A 392 6.726 1.082 7.928 1.00 0.67 H new ATOM 0 HE ARG A 392 8.554 -0.614 8.009 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.361 2.831 8.015 1.00 1.88 H new ATOM 0 HH12 ARG A 392 10.964 2.571 8.711 1.00 1.88 H new ATOM 0 HH21 ARG A 392 10.623 -0.943 8.866 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.677 0.437 9.192 1.00 2.48 H new ATOM 1067 N ALA A 393 3.629 2.556 3.828 1.00 0.16 N ATOM 1068 CA ALA A 393 2.758 3.549 3.208 1.00 0.16 C ATOM 1069 C ALA A 393 1.367 3.487 3.840 1.00 0.16 C ATOM 1070 O ALA A 393 0.735 4.513 4.085 1.00 0.19 O ATOM 1071 CB ALA A 393 2.682 3.345 1.694 1.00 0.19 C ATOM 0 H ALA A 393 3.826 1.740 3.248 1.00 0.16 H new ATOM 0 HA ALA A 393 3.178 4.539 3.384 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.026 4.099 1.258 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.679 3.439 1.264 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.286 2.352 1.480 1.00 0.19 H new ATOM 1077 N LEU A 394 0.913 2.266 4.123 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.375 2.035 4.776 1.00 0.18 C ATOM 1079 C LEU A 394 -0.403 2.627 6.182 1.00 0.18 C ATOM 1080 O LEU A 394 -1.463 3.002 6.681 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.669 0.535 4.837 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.963 -0.117 3.489 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.859 -1.625 3.600 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.347 0.281 3.003 1.00 0.24 C ATOM 0 H LEU A 394 1.426 1.412 3.907 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.144 2.533 4.185 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.184 0.030 5.290 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.522 0.373 5.496 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.225 0.230 2.766 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.071 -2.077 2.631 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.148 -1.898 3.915 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.579 -1.986 4.334 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.544 -0.191 2.040 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.094 -0.045 3.727 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.396 1.364 2.893 1.00 0.24 H new ATOM 1096 N ARG A 395 0.769 2.686 6.816 1.00 0.20 N ATOM 1097 CA ARG A 395 0.923 3.263 8.148 1.00 0.26 C ATOM 1098 C ARG A 395 0.203 4.604 8.266 1.00 0.21 C ATOM 1099 O ARG A 395 -0.518 4.852 9.237 1.00 0.22 O ATOM 1100 CB ARG A 395 2.406 3.462 8.461 1.00 0.36 C ATOM 1101 CG ARG A 395 2.667 3.858 9.899 1.00 0.94 C ATOM 1102 CD ARG A 395 2.645 2.647 10.808 1.00 0.94 C ATOM 1103 NE ARG A 395 3.984 2.084 10.982 1.00 1.59 N ATOM 1104 CZ ARG A 395 4.232 0.871 11.471 1.00 1.91 C ATOM 1105 NH1 ARG A 395 3.235 0.056 11.793 1.00 1.87 N ATOM 1106 NH2 ARG A 395 5.489 0.473 11.632 1.00 2.78 N ATOM 0 H ARG A 395 1.639 2.333 6.417 1.00 0.20 H new ATOM 0 HA ARG A 395 0.478 2.569 8.861 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.943 2.539 8.242 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.810 4.230 7.801 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.634 4.355 9.973 1.00 0.94 H new ATOM 0 HG3 ARG A 395 1.914 4.575 10.225 1.00 0.94 H new ATOM 0 HD2 ARG A 395 2.238 2.927 11.779 1.00 0.94 H new ATOM 0 HD3 ARG A 395 1.982 1.889 10.391 1.00 0.94 H new ATOM 0 HE ARG A 395 4.781 2.660 10.710 1.00 1.59 H new ATOM 0 HH11 ARG A 395 2.269 0.357 11.666 1.00 1.87 H new ATOM 0 HH12 ARG A 395 3.435 -0.872 12.167 1.00 1.87 H new ATOM 0 HH21 ARG A 395 6.257 1.096 11.381 1.00 2.78 H new ATOM 0 HH22 ARG A 395 5.686 -0.455 12.006 1.00 2.78 H new ATOM 1120 N HIS A 396 0.392 5.455 7.269 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.195 6.785 7.274 1.00 0.19 C ATOM 1122 C HIS A 396 -1.703 6.712 7.125 1.00 0.16 C ATOM 1123 O HIS A 396 -2.434 7.485 7.745 1.00 0.22 O ATOM 1124 CB HIS A 396 0.422 7.641 6.170 1.00 0.24 C ATOM 1125 CG HIS A 396 1.851 7.981 6.442 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.186 9.082 7.191 1.00 1.29 N ATOM 1127 CD2 HIS A 396 2.981 7.324 6.087 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.502 9.069 7.283 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.028 8.021 6.632 1.00 1.17 N ATOM 0 H HIS A 396 0.951 5.246 6.442 1.00 0.20 H new ATOM 0 HA HIS A 396 0.022 7.254 8.234 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.352 7.110 5.221 1.00 0.24 H new ATOM 0 HB3 HIS A 396 -0.153 8.561 6.063 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.548 9.769 7.594 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.045 6.426 5.491 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.082 9.808 7.815 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.167 5.741 6.352 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.585 5.608 6.050 1.00 0.15 C ATOM 1139 C TYR A 397 -4.359 5.264 7.316 1.00 0.18 C ATOM 1140 O TYR A 397 -5.546 5.568 7.428 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.827 4.521 4.990 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.175 4.788 3.645 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.102 5.661 3.516 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.632 4.152 2.501 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.514 5.899 2.298 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.046 4.381 1.277 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.986 5.259 1.180 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.409 5.508 -0.042 1.00 0.35 O ATOM 0 H TYR A 397 -1.578 5.029 5.920 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.935 6.562 5.654 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.459 3.570 5.374 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.901 4.410 4.842 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.722 6.164 4.393 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.462 3.465 2.572 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.684 6.586 2.221 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.414 3.876 0.396 1.00 0.32 H new ATOM 0 HH TYR A 397 -2.073 5.908 -0.642 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.667 4.634 8.266 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.257 4.279 9.550 1.00 0.29 C ATOM 1160 C TYR A 398 -4.600 5.530 10.344 1.00 0.31 C ATOM 1161 O TYR A 398 -5.567 5.555 11.104 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.299 3.401 10.356 1.00 0.33 C ATOM 1163 CG TYR A 398 -2.993 2.082 9.688 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.006 1.341 9.099 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.698 1.583 9.636 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.741 0.143 8.477 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.423 0.379 9.014 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.447 -0.337 8.434 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.179 -1.537 7.815 1.00 0.60 O ATOM 0 H TYR A 398 -2.690 4.359 8.165 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.173 3.720 9.359 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.368 3.944 10.516 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.731 3.211 11.339 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.020 1.711 9.129 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.893 2.144 10.088 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.543 -0.421 8.024 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.411 0.002 8.983 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.220 -1.728 7.873 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.807 6.573 10.153 1.00 0.28 N ATOM 1180 CA LYS A 399 -4.000 7.811 10.884 1.00 0.32 C ATOM 1181 C LYS A 399 -4.959 8.702 10.127 1.00 0.29 C ATOM 1182 O LYS A 399 -5.736 9.461 10.708 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.671 8.522 11.071 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.555 7.578 11.475 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.965 6.693 12.637 1.00 0.68 C ATOM 1186 CE LYS A 399 -0.906 5.652 12.925 1.00 1.31 C ATOM 1187 NZ LYS A 399 -1.207 4.854 14.143 1.00 1.98 N ATOM 0 H LYS A 399 -3.025 6.585 9.498 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.416 7.584 11.865 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.398 9.024 10.143 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.781 9.295 11.832 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.278 6.956 10.624 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.672 8.155 11.750 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.130 7.305 13.524 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -2.911 6.201 12.409 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.817 4.983 12.069 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.059 6.144 13.047 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -0.452 4.156 14.296 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -1.266 5.486 14.967 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -2.114 4.361 14.020 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.905 8.571 8.811 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.789 9.284 7.913 1.00 0.23 C ATOM 1203 C LEU A 400 -7.167 8.662 7.920 1.00 0.22 C ATOM 1204 O LEU A 400 -8.076 9.134 7.234 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.232 9.196 6.504 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.847 9.777 6.326 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.144 9.126 5.160 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.956 11.253 6.098 1.00 0.36 C ATOM 0 H LEU A 400 -4.240 7.961 8.336 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.860 10.321 8.240 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.212 8.149 6.202 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.915 9.710 5.827 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.264 9.587 7.227 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.149 9.557 5.048 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.057 8.054 5.340 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.718 9.295 4.249 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.960 11.676 5.969 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.548 11.440 5.202 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.440 11.719 6.956 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.285 7.576 8.691 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.504 6.781 8.791 1.00 0.24 C ATOM 1222 C ASN A 401 -9.069 6.488 7.406 1.00 0.19 C ATOM 1223 O ASN A 401 -10.273 6.523 7.174 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.536 7.410 9.755 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.859 8.871 9.494 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.827 9.193 8.809 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -9.045 9.769 10.043 1.00 1.24 N ATOM 0 H ASN A 401 -6.523 7.223 9.270 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.248 5.821 9.238 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.460 6.835 9.698 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.163 7.314 10.775 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -9.214 10.765 9.901 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.252 9.462 10.605 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.147 6.222 6.485 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.468 5.771 5.142 1.00 0.13 C ATOM 1236 C ILE A 402 -8.670 4.272 5.168 1.00 0.13 C ATOM 1237 O ILE A 402 -9.636 3.744 4.627 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.319 6.100 4.165 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.146 7.614 4.050 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.558 5.471 2.796 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.893 8.024 3.313 1.00 0.14 C ATOM 0 H ILE A 402 -7.146 6.316 6.656 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.372 6.279 4.806 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.398 5.673 4.562 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.012 8.033 3.538 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.127 8.046 5.050 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.731 5.721 2.131 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.625 4.388 2.900 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.489 5.854 2.377 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.836 9.112 3.270 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.019 7.635 3.836 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.918 7.621 2.300 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.747 3.605 5.834 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.741 2.164 5.927 1.00 0.14 C ATOM 1255 C ILE A 403 -7.493 1.749 7.364 1.00 0.17 C ATOM 1256 O ILE A 403 -6.632 2.308 8.037 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.647 1.553 5.021 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.948 1.845 3.554 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.524 0.053 5.247 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.816 1.489 2.618 1.00 0.20 C ATOM 0 H ILE A 403 -6.976 4.054 6.328 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.711 1.796 5.594 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.695 2.014 5.283 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.839 1.292 3.258 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.179 2.905 3.444 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.748 -0.350 4.597 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.262 -0.138 6.288 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.475 -0.429 5.018 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.103 1.725 1.593 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.928 2.061 2.887 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.599 0.424 2.698 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.269 0.797 7.839 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.046 0.228 9.152 1.00 0.18 C ATOM 1274 C ARG A 404 -7.923 -1.276 9.022 1.00 0.20 C ATOM 1275 O ARG A 404 -8.286 -1.840 7.993 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.196 0.560 10.103 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.439 -0.283 9.863 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.459 -0.119 10.968 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.139 1.171 10.919 1.00 1.16 N ATOM 1280 CZ ARG A 404 -12.753 1.724 11.962 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -12.642 1.181 13.169 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -13.452 2.837 11.806 1.00 2.08 N ATOM 0 H ARG A 404 -9.062 0.400 7.334 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.130 0.653 9.563 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.861 0.417 11.130 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.454 1.614 9.996 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.889 -0.002 8.911 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.155 -1.333 9.785 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -12.198 -0.917 10.897 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -10.964 -0.228 11.933 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.144 1.678 10.034 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.084 0.337 13.299 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -13.114 1.608 13.966 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -13.520 3.272 10.886 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -13.922 3.260 12.606 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.421 -1.916 10.059 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.379 -3.365 10.108 1.00 0.26 C ATOM 1298 C LYS A 405 -8.614 -3.861 10.828 1.00 0.27 C ATOM 1299 O LYS A 405 -8.927 -3.388 11.924 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.123 -3.845 10.830 1.00 0.31 C ATOM 1301 CG LYS A 405 -4.842 -3.486 10.104 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.614 -3.951 10.872 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.637 -3.448 12.308 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.423 -3.851 13.065 1.00 1.73 N ATOM 0 H LYS A 405 -7.035 -1.454 10.882 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.354 -3.761 9.093 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.099 -3.413 11.830 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.173 -4.927 10.952 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -4.845 -3.940 9.113 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.795 -2.407 9.960 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.570 -5.040 10.867 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -2.713 -3.593 10.373 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.719 -2.361 12.309 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -4.522 -3.835 12.812 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.483 -3.486 14.037 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -2.357 -4.889 13.088 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.579 -3.460 12.600 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.322 -4.784 10.209 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.554 -5.293 10.781 1.00 0.27 C ATOM 1320 C GLU A 406 -10.298 -6.056 12.066 1.00 0.29 C ATOM 1321 O GLU A 406 -9.316 -6.789 12.201 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.315 -6.152 9.778 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.138 -5.314 8.823 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.286 -4.598 9.502 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.349 -5.217 9.702 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.130 -3.405 9.828 1.00 0.81 O ATOM 0 H GLU A 406 -9.067 -5.197 9.312 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.177 -4.433 11.027 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.609 -6.759 9.211 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -11.970 -6.840 10.313 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.491 -4.579 8.344 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.532 -5.954 8.034 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.203 -5.849 13.022 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.142 -6.417 14.372 1.00 0.38 C ATOM 1335 C PRO A 407 -10.928 -7.928 14.385 1.00 0.41 C ATOM 1336 O PRO A 407 -11.803 -8.698 13.976 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.526 -6.061 14.953 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.357 -5.691 13.771 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.397 -5.025 12.846 1.00 0.45 C ATOM 0 HA PRO A 407 -10.298 -6.024 14.938 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.958 -6.906 15.490 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.456 -5.235 15.661 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.809 -6.570 13.311 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.171 -5.022 14.050 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.750 -5.030 11.815 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.221 -3.984 13.118 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.757 -8.338 14.861 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.452 -9.750 14.998 1.00 0.60 C ATOM 1349 C GLY A 408 -9.105 -10.410 13.679 1.00 0.56 C ATOM 1350 O GLY A 408 -9.372 -11.597 13.483 1.00 0.66 O ATOM 0 H GLY A 408 -9.008 -7.712 15.156 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.618 -9.871 15.689 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.308 -10.260 15.439 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.503 -9.651 12.771 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.169 -10.167 11.451 1.00 0.52 C ATOM 1356 C GLN A 409 -6.682 -10.014 11.139 1.00 0.48 C ATOM 1357 O GLN A 409 -5.968 -9.281 11.821 1.00 0.62 O ATOM 1358 CB GLN A 409 -8.996 -9.451 10.386 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.486 -9.754 10.450 1.00 0.77 C ATOM 1360 CD GLN A 409 -10.831 -11.123 9.915 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -10.039 -12.066 9.998 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.012 -11.235 9.343 1.00 1.10 N ATOM 0 H GLN A 409 -8.237 -8.678 12.925 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.403 -11.232 11.446 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -8.850 -8.376 10.490 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.621 -9.730 9.401 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.823 -9.678 11.484 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.030 -9.000 9.881 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.635 -10.429 9.297 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -12.304 -12.128 8.946 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.225 -10.718 10.107 1.00 0.44 N ATOM 1372 CA ARG A 410 -4.834 -10.629 9.662 1.00 0.41 C ATOM 1373 C ARG A 410 -4.624 -9.431 8.738 1.00 0.34 C ATOM 1374 O ARG A 410 -4.263 -8.340 9.175 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.381 -11.920 8.949 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.494 -12.911 8.599 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.422 -12.420 7.483 1.00 0.62 C ATOM 1378 NE ARG A 410 -5.732 -12.183 6.203 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.180 -13.141 5.448 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -5.210 -14.407 5.838 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -4.609 -12.828 4.288 1.00 2.29 N ATOM 0 H ARG A 410 -6.799 -11.360 9.560 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.225 -10.496 10.556 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -3.864 -11.643 8.030 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -3.654 -12.427 9.583 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.045 -13.857 8.297 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.087 -13.110 9.492 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.212 -13.155 7.329 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -6.904 -11.496 7.803 1.00 0.62 H new ATOM 0 HE ARG A 410 -5.671 -11.221 5.868 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -5.656 -14.658 6.720 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -4.787 -15.130 5.256 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.592 -11.858 3.973 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.189 -13.558 3.713 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.861 -9.652 7.457 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.738 -8.607 6.455 1.00 0.15 C ATOM 1397 C LEU A 411 -6.111 -8.206 5.941 1.00 0.11 C ATOM 1398 O LEU A 411 -6.274 -7.835 4.779 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.839 -9.046 5.296 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.367 -9.243 5.655 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.916 -10.668 5.359 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.518 -8.250 4.887 1.00 0.16 C ATOM 0 H LEU A 411 -5.143 -10.558 7.082 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.271 -7.743 6.927 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.226 -9.981 4.891 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.907 -8.302 4.502 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.245 -9.070 6.724 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.865 -10.779 5.624 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.514 -11.368 5.943 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.047 -10.878 4.297 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.469 -8.393 5.145 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.653 -8.407 3.817 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.821 -7.235 5.146 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.108 -8.344 6.801 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.443 -7.875 6.490 1.00 0.10 C ATOM 1416 C LEU A 412 -8.560 -6.431 6.906 1.00 0.09 C ATOM 1417 O LEU A 412 -8.369 -6.095 8.072 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.498 -8.703 7.208 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.693 -9.096 6.360 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -10.991 -8.014 5.357 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.417 -10.411 5.672 1.00 0.15 C ATOM 0 H LEU A 412 -7.015 -8.778 7.720 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.610 -7.975 5.418 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.029 -9.610 7.589 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.854 -8.141 8.071 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.568 -9.217 6.998 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.850 -8.305 4.753 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.213 -7.084 5.880 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.125 -7.869 4.711 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.277 -10.691 5.064 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.539 -10.311 5.034 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.236 -11.182 6.421 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.863 -5.585 5.950 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.845 -4.151 6.178 1.00 0.10 C ATOM 1435 C PHE A 413 -10.174 -3.535 5.793 1.00 0.09 C ATOM 1436 O PHE A 413 -11.065 -4.216 5.284 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.732 -3.466 5.374 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.358 -4.055 5.538 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.012 -4.788 6.661 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.412 -3.873 4.550 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.750 -5.329 6.793 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.153 -4.410 4.675 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.820 -5.140 5.796 1.00 0.14 C ATOM 0 H PHE A 413 -9.126 -5.861 5.004 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.658 -3.998 7.241 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -7.998 -3.498 4.318 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.694 -2.415 5.661 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.740 -4.938 7.444 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.664 -3.302 3.668 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.493 -5.898 7.674 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.423 -4.260 3.893 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.831 -5.563 5.892 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.288 -2.242 6.022 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.496 -1.508 5.708 1.00 0.10 C ATOM 1455 C ARG A 414 -11.153 -0.161 5.094 1.00 0.09 C ATOM 1456 O ARG A 414 -10.498 0.665 5.735 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.318 -1.293 6.979 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.595 -0.504 6.768 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.309 -0.255 8.085 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.646 -1.497 8.779 1.00 0.99 N ATOM 1461 CZ ARG A 414 -15.874 -1.821 9.179 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.898 -1.014 8.929 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.075 -2.975 9.803 1.00 2.09 N ATOM 0 H ARG A 414 -9.547 -1.672 6.430 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.078 -2.087 4.991 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.571 -2.265 7.403 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.701 -0.775 7.714 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.363 0.448 6.291 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.254 -1.047 6.091 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.677 0.357 8.728 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.220 0.313 7.899 1.00 0.35 H new ATOM 0 HE ARG A 414 -13.892 -2.157 8.969 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.747 -0.139 8.427 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.836 -1.269 9.239 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.292 -3.606 9.973 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.013 -3.231 10.113 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.575 0.050 3.855 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.470 1.362 3.238 1.00 0.11 C ATOM 1479 C PHE A 415 -12.540 2.272 3.819 1.00 0.12 C ATOM 1480 O PHE A 415 -13.657 2.337 3.311 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.644 1.295 1.713 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.389 0.990 0.943 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.399 1.951 0.812 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.207 -0.240 0.325 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.255 1.694 0.088 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.058 -0.503 -0.401 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.083 0.466 -0.518 1.00 0.21 C ATOM 0 H PHE A 415 -11.991 -0.667 3.261 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.473 1.751 3.446 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.389 0.534 1.481 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.043 2.248 1.366 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.526 2.914 1.284 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.970 -1.000 0.412 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.493 2.454 -0.005 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.925 -1.464 -0.875 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.185 0.264 -1.084 1.00 0.21 H new ATOM 1497 N MET A 416 -12.196 2.972 4.887 1.00 0.14 N ATOM 1498 CA MET A 416 -13.136 3.876 5.533 1.00 0.17 C ATOM 1499 C MET A 416 -13.552 4.964 4.558 1.00 0.20 C ATOM 1500 O MET A 416 -14.665 5.491 4.627 1.00 0.29 O ATOM 1501 CB MET A 416 -12.522 4.489 6.791 1.00 0.23 C ATOM 1502 CG MET A 416 -12.248 3.475 7.890 1.00 0.30 C ATOM 1503 SD MET A 416 -11.541 4.225 9.371 1.00 1.30 S ATOM 1504 CE MET A 416 -12.761 5.490 9.724 1.00 1.23 C ATOM 0 H MET A 416 -11.276 2.933 5.325 1.00 0.14 H new ATOM 0 HA MET A 416 -14.018 3.310 5.832 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.589 4.985 6.525 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.193 5.257 7.176 1.00 0.23 H new ATOM 0 HG2 MET A 416 -13.178 2.970 8.152 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.566 2.713 7.513 1.00 0.30 H new ATOM 0 HE1 MET A 416 -12.641 5.835 10.751 1.00 1.23 H new ATOM 0 HE2 MET A 416 -12.624 6.328 9.041 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.761 5.077 9.595 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.646 5.284 3.645 1.00 0.18 N ATOM 1515 CA LYS A 417 -12.941 6.187 2.555 1.00 0.21 C ATOM 1516 C LYS A 417 -12.148 5.804 1.316 1.00 0.22 C ATOM 1517 O LYS A 417 -11.064 5.228 1.400 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.653 7.633 2.941 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.255 7.875 3.465 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.983 9.362 3.619 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.971 9.636 4.715 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.542 9.387 6.063 1.00 0.61 N ATOM 0 H LYS A 417 -11.692 4.924 3.643 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.005 6.103 2.332 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.816 8.268 2.070 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.371 7.943 3.700 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.132 7.377 4.427 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.526 7.437 2.783 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.615 9.764 2.675 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.914 9.881 3.846 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.095 9.004 4.568 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.633 10.670 4.648 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.792 9.052 6.701 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -10.946 10.269 6.437 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -11.288 8.665 5.996 1.00 0.61 H new ATOM 1536 N THR A 418 -12.720 6.131 0.178 1.00 0.24 N ATOM 1537 CA THR A 418 -12.159 5.789 -1.120 1.00 0.26 C ATOM 1538 C THR A 418 -11.460 6.996 -1.739 1.00 0.23 C ATOM 1539 O THR A 418 -11.525 8.085 -1.174 1.00 0.21 O ATOM 1540 CB THR A 418 -13.278 5.293 -2.057 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.369 6.224 -2.059 1.00 0.37 O ATOM 1542 CG2 THR A 418 -13.773 3.923 -1.623 1.00 0.40 C ATOM 0 H THR A 418 -13.598 6.648 0.122 1.00 0.24 H new ATOM 0 HA THR A 418 -11.423 4.996 -0.983 1.00 0.26 H new ATOM 0 HB THR A 418 -12.871 5.214 -3.065 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.866 6.147 -1.218 1.00 0.37 H new ATOM 0 HG21 THR A 418 -14.562 3.591 -2.297 1.00 0.40 H new ATOM 0 HG22 THR A 418 -12.948 3.212 -1.653 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.164 3.982 -0.607 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.777 6.821 -2.899 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.109 7.910 -3.625 1.00 0.24 C ATOM 1552 C PRO A 419 -10.907 9.204 -3.608 1.00 0.28 C ATOM 1553 O PRO A 419 -10.400 10.251 -3.214 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.048 7.366 -5.048 1.00 0.29 C ATOM 1555 CG PRO A 419 -9.901 5.894 -4.882 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.604 5.531 -3.597 1.00 0.28 C ATOM 0 HA PRO A 419 -9.144 8.163 -3.185 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.951 7.614 -5.606 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.207 7.789 -5.598 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.340 5.363 -5.727 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -8.849 5.612 -4.841 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.564 5.051 -3.790 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.013 4.834 -3.003 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.166 9.103 -4.018 1.00 0.34 N ATOM 1565 CA ASP A 420 -13.074 10.252 -4.082 1.00 0.43 C ATOM 1566 C ASP A 420 -13.116 11.002 -2.751 1.00 0.40 C ATOM 1567 O ASP A 420 -13.055 12.230 -2.711 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.481 9.772 -4.454 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.513 10.884 -4.481 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -15.617 11.579 -5.512 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -16.258 11.033 -3.489 1.00 0.85 O ATOM 0 H ASP A 420 -12.590 8.225 -4.316 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.704 10.939 -4.843 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.446 9.295 -5.434 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.797 9.011 -3.740 1.00 0.55 H new ATOM 1576 N GLU A 421 -13.203 10.245 -1.668 1.00 0.35 N ATOM 1577 CA GLU A 421 -13.280 10.808 -0.331 1.00 0.35 C ATOM 1578 C GLU A 421 -11.915 11.330 0.137 1.00 0.32 C ATOM 1579 O GLU A 421 -11.823 12.370 0.788 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.800 9.747 0.631 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.188 9.258 0.268 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.541 7.936 0.921 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -16.070 7.944 2.050 1.00 0.51 O ATOM 1584 OE2 GLU A 421 -15.281 6.877 0.308 1.00 0.38 O ATOM 0 H GLU A 421 -13.222 9.225 -1.692 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.965 11.656 -0.349 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.112 8.902 0.639 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.816 10.155 1.642 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.920 10.009 0.563 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.258 9.152 -0.815 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.858 10.604 -0.215 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.500 10.931 0.230 1.00 0.24 C ATOM 1593 C ILE A 422 -8.983 12.200 -0.445 1.00 0.29 C ATOM 1594 O ILE A 422 -8.198 12.955 0.139 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.532 9.765 -0.058 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.066 8.476 0.570 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.136 10.080 0.472 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.378 7.229 0.071 1.00 0.18 C ATOM 0 H ILE A 422 -10.913 9.779 -0.812 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.546 11.102 1.306 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.461 9.628 -1.137 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.952 8.535 1.652 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.134 8.398 0.366 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.469 9.245 0.259 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.757 10.980 -0.013 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.183 10.240 1.549 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.809 6.355 0.560 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.514 7.145 -1.007 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.314 7.285 0.299 1.00 0.18 H new ATOM 1610 N MET A 423 -9.445 12.446 -1.668 1.00 0.36 N ATOM 1611 CA MET A 423 -9.055 13.628 -2.431 1.00 0.46 C ATOM 1612 C MET A 423 -9.618 14.910 -1.818 1.00 0.55 C ATOM 1613 O MET A 423 -9.574 15.974 -2.432 1.00 0.71 O ATOM 1614 CB MET A 423 -9.514 13.488 -3.881 1.00 0.56 C ATOM 1615 CG MET A 423 -8.845 12.339 -4.612 1.00 0.59 C ATOM 1616 SD MET A 423 -9.379 12.182 -6.330 1.00 0.83 S ATOM 1617 CE MET A 423 -8.842 13.754 -7.001 1.00 1.83 C ATOM 0 H MET A 423 -10.098 11.834 -2.157 1.00 0.36 H new ATOM 0 HA MET A 423 -7.968 13.701 -2.401 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.594 13.343 -3.901 1.00 0.56 H new ATOM 0 HB3 MET A 423 -9.307 14.417 -4.412 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.764 12.480 -4.586 1.00 0.59 H new ATOM 0 HG3 MET A 423 -9.058 11.409 -4.086 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.787 13.686 -8.087 1.00 1.83 H new ATOM 0 HE2 MET A 423 -9.554 14.531 -6.722 1.00 1.83 H new ATOM 0 HE3 MET A 423 -7.858 14.003 -6.603 1.00 1.83 H new ATOM 1627 N SER A 424 -10.153 14.800 -0.606 1.00 0.60 N ATOM 1628 CA SER A 424 -10.632 15.954 0.134 1.00 0.72 C ATOM 1629 C SER A 424 -9.464 16.877 0.491 1.00 0.74 C ATOM 1630 O SER A 424 -9.660 18.073 0.719 1.00 0.94 O ATOM 1631 CB SER A 424 -11.372 15.504 1.400 1.00 1.07 C ATOM 1632 OG SER A 424 -12.021 16.593 2.038 1.00 1.70 O ATOM 0 H SER A 424 -10.265 13.913 -0.115 1.00 0.60 H new ATOM 0 HA SER A 424 -11.330 16.509 -0.494 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.107 14.742 1.141 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.666 15.044 2.091 1.00 1.07 H new ATOM 0 HG SER A 424 -12.484 16.273 2.840 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.248 16.329 0.528 1.00 0.81 N ATOM 1639 CA GLY A 425 -7.090 17.169 0.765 1.00 1.23 C ATOM 1640 C GLY A 425 -5.890 16.453 1.368 1.00 0.79 C ATOM 1641 O GLY A 425 -4.771 16.951 1.267 1.00 1.10 O ATOM 0 H GLY A 425 -8.049 15.337 0.400 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -6.788 17.621 -0.180 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -7.380 17.983 1.429 1.00 1.23 H new ATOM 1645 N ARG A 426 -6.091 15.287 1.973 1.00 0.59 N ATOM 1646 CA ARG A 426 -5.009 14.646 2.733 1.00 0.47 C ATOM 1647 C ARG A 426 -3.994 13.931 1.838 1.00 0.40 C ATOM 1648 O ARG A 426 -3.064 13.302 2.342 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.554 13.645 3.754 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.557 14.225 4.731 1.00 1.03 C ATOM 1651 CD ARG A 426 -6.151 15.598 5.240 1.00 1.41 C ATOM 1652 NE ARG A 426 -4.944 15.575 6.065 1.00 1.79 N ATOM 1653 CZ ARG A 426 -4.427 16.664 6.635 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -5.012 17.844 6.460 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -3.329 16.573 7.376 1.00 2.85 N ATOM 0 H ARG A 426 -6.971 14.771 1.957 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.499 15.459 3.249 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.023 12.819 3.219 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -4.719 13.227 4.316 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.531 14.295 4.247 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.669 13.547 5.577 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -5.989 16.260 4.389 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -6.971 16.020 5.820 1.00 1.41 H new ATOM 0 HE ARG A 426 -4.474 14.682 6.212 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.855 17.916 5.890 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -4.618 18.678 6.895 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -2.878 15.668 7.511 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -2.936 17.408 7.810 1.00 2.85 H new ATOM 1669 N THR A 427 -4.153 14.032 0.527 1.00 0.36 N ATOM 1670 CA THR A 427 -3.290 13.296 -0.388 1.00 0.33 C ATOM 1671 C THR A 427 -1.904 13.929 -0.483 1.00 0.37 C ATOM 1672 O THR A 427 -0.940 13.259 -0.836 1.00 0.38 O ATOM 1673 CB THR A 427 -3.900 13.217 -1.801 1.00 0.35 C ATOM 1674 OG1 THR A 427 -3.971 14.526 -2.381 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.290 12.605 -1.756 1.00 0.33 C ATOM 0 H THR A 427 -4.863 14.609 0.075 1.00 0.36 H new ATOM 0 HA THR A 427 -3.197 12.289 0.019 1.00 0.33 H new ATOM 0 HB THR A 427 -3.258 12.583 -2.413 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.156 14.700 -2.897 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.700 12.560 -2.765 1.00 0.33 H new ATOM 0 HG22 THR A 427 -5.231 11.598 -1.343 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.937 13.218 -1.128 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.806 15.208 -0.132 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.567 15.971 -0.301 1.00 0.54 C ATOM 1685 C ASP A 428 0.599 15.346 0.463 1.00 0.55 C ATOM 1686 O ASP A 428 1.728 15.308 -0.032 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.771 17.428 0.140 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.041 17.577 1.629 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.847 16.798 2.180 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.459 18.488 2.250 1.00 1.76 O ATOM 0 H ASP A 428 -2.574 15.743 0.274 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.314 15.949 -1.361 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.116 18.006 -0.120 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.605 17.855 -0.417 1.00 0.67 H new ATOM 1695 N ARG A 429 0.316 14.853 1.657 1.00 0.54 N ATOM 1696 CA ARG A 429 1.318 14.185 2.481 1.00 0.58 C ATOM 1697 C ARG A 429 1.608 12.795 1.931 1.00 0.45 C ATOM 1698 O ARG A 429 2.725 12.307 2.025 1.00 0.46 O ATOM 1699 CB ARG A 429 0.815 14.083 3.923 1.00 0.72 C ATOM 1700 CG ARG A 429 1.877 13.679 4.932 1.00 0.88 C ATOM 1701 CD ARG A 429 1.259 13.419 6.295 1.00 1.22 C ATOM 1702 NE ARG A 429 2.258 13.353 7.357 1.00 1.86 N ATOM 1703 CZ ARG A 429 2.008 12.905 8.585 1.00 2.48 C ATOM 1704 NH1 ARG A 429 0.802 12.444 8.895 1.00 2.68 N ATOM 1705 NH2 ARG A 429 2.959 12.925 9.509 1.00 3.43 N ATOM 0 H ARG A 429 -0.609 14.902 2.084 1.00 0.54 H new ATOM 0 HA ARG A 429 2.239 14.768 2.463 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.398 15.046 4.218 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.001 13.359 3.961 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.392 12.783 4.585 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.626 14.467 5.012 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.543 14.209 6.522 1.00 1.22 H new ATOM 0 HD3 ARG A 429 0.702 12.482 6.265 1.00 1.22 H new ATOM 0 HE ARG A 429 3.204 13.669 7.145 1.00 1.86 H new ATOM 0 HH11 ARG A 429 0.064 12.432 8.191 1.00 2.68 H new ATOM 0 HH12 ARG A 429 0.614 12.101 9.837 1.00 2.68 H new ATOM 0 HH21 ARG A 429 3.886 13.285 9.280 1.00 3.43 H new ATOM 0 HH22 ARG A 429 2.764 12.581 10.449 1.00 3.43 H new ATOM 1719 N LEU A 430 0.598 12.185 1.328 1.00 0.38 N ATOM 1720 CA LEU A 430 0.704 10.831 0.810 1.00 0.32 C ATOM 1721 C LEU A 430 1.507 10.806 -0.480 1.00 0.30 C ATOM 1722 O LEU A 430 2.402 9.976 -0.654 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.690 10.270 0.574 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.542 10.123 1.830 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.921 9.583 1.485 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.835 9.216 2.816 1.00 0.61 C ATOM 0 H LEU A 430 -0.316 12.615 1.185 1.00 0.38 H new ATOM 0 HA LEU A 430 1.225 10.214 1.542 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.213 10.919 -0.129 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.598 9.294 0.098 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.678 11.103 2.287 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.512 9.486 2.396 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.420 10.269 0.800 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.821 8.606 1.011 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.443 9.110 3.714 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.682 8.236 2.364 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.130 9.648 3.080 1.00 0.61 H new ATOM 1738 N GLU A 431 1.177 11.729 -1.374 1.00 0.31 N ATOM 1739 CA GLU A 431 1.898 11.898 -2.628 1.00 0.35 C ATOM 1740 C GLU A 431 3.368 12.158 -2.350 1.00 0.39 C ATOM 1741 O GLU A 431 4.248 11.751 -3.111 1.00 0.44 O ATOM 1742 CB GLU A 431 1.301 13.060 -3.414 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.134 12.823 -3.840 1.00 0.50 C ATOM 1744 CD GLU A 431 -0.792 14.062 -4.404 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -0.525 14.394 -5.574 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -1.589 14.704 -3.684 1.00 2.30 O ATOM 0 H GLU A 431 0.402 12.381 -1.250 1.00 0.31 H new ATOM 0 HA GLU A 431 1.807 10.986 -3.218 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.347 13.963 -2.805 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.910 13.241 -4.300 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.159 12.031 -4.589 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.709 12.470 -2.983 1.00 0.50 H new ATOM 1753 N HIS A 432 3.612 12.832 -1.237 1.00 0.39 N ATOM 1754 CA HIS A 432 4.957 13.151 -0.797 1.00 0.45 C ATOM 1755 C HIS A 432 5.590 11.946 -0.107 1.00 0.44 C ATOM 1756 O HIS A 432 6.786 11.694 -0.239 1.00 0.52 O ATOM 1757 CB HIS A 432 4.907 14.330 0.177 1.00 0.50 C ATOM 1758 CG HIS A 432 6.174 15.123 0.241 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.256 16.441 -0.146 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.407 14.779 0.661 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.493 16.872 0.031 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.213 15.880 0.523 1.00 0.77 N ATOM 0 H HIS A 432 2.880 13.173 -0.614 1.00 0.39 H new ATOM 0 HA HIS A 432 5.560 13.415 -1.666 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.091 14.992 -0.112 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.675 13.955 1.174 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.706 13.812 1.038 1.00 0.70 H new ATOM 0 HE1 HIS A 432 7.854 17.866 -0.189 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.204 15.925 0.761 1.00 0.77 H new ATOM 1771 N LEU A 433 4.772 11.205 0.630 1.00 0.39 N ATOM 1772 CA LEU A 433 5.258 10.117 1.461 1.00 0.40 C ATOM 1773 C LEU A 433 5.674 8.916 0.638 1.00 0.36 C ATOM 1774 O LEU A 433 6.684 8.306 0.942 1.00 0.35 O ATOM 1775 CB LEU A 433 4.198 9.701 2.484 1.00 0.53 C ATOM 1776 CG LEU A 433 4.756 9.166 3.805 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.405 7.800 3.622 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.757 10.154 4.376 1.00 0.73 C ATOM 0 H LEU A 433 3.762 11.341 0.667 1.00 0.39 H new ATOM 0 HA LEU A 433 6.139 10.487 1.985 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.561 10.560 2.696 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.563 8.936 2.038 1.00 0.53 H new ATOM 0 HG LEU A 433 3.927 9.047 4.503 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.791 7.449 4.579 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.665 7.093 3.248 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.225 7.879 2.908 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.152 9.769 5.316 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.575 10.293 3.669 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.264 11.110 4.553 1.00 0.73 H new ATOM 1790 N GLU A 434 4.905 8.566 -0.386 1.00 0.40 N ATOM 1791 CA GLU A 434 5.226 7.391 -1.191 1.00 0.45 C ATOM 1792 C GLU A 434 6.672 7.397 -1.645 1.00 0.45 C ATOM 1793 O GLU A 434 7.349 6.388 -1.556 1.00 0.56 O ATOM 1794 CB GLU A 434 4.302 7.269 -2.389 1.00 0.66 C ATOM 1795 CG GLU A 434 2.881 6.897 -2.025 1.00 0.80 C ATOM 1796 CD GLU A 434 2.070 6.516 -3.242 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.960 7.346 -4.170 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.576 5.374 -3.296 1.00 1.47 O ATOM 0 H GLU A 434 4.067 9.069 -0.677 1.00 0.40 H new ATOM 0 HA GLU A 434 5.076 6.522 -0.550 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.294 8.216 -2.928 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.702 6.518 -3.070 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.892 6.065 -1.321 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.404 7.736 -1.519 1.00 0.80 H new ATOM 1805 N SER A 435 7.155 8.536 -2.080 1.00 0.46 N ATOM 1806 CA SER A 435 8.529 8.666 -2.468 1.00 0.53 C ATOM 1807 C SER A 435 9.452 8.352 -1.301 1.00 0.50 C ATOM 1808 O SER A 435 10.489 7.700 -1.443 1.00 0.58 O ATOM 1809 CB SER A 435 8.747 10.081 -2.892 1.00 0.62 C ATOM 1810 OG SER A 435 8.101 10.371 -4.120 1.00 1.01 O ATOM 0 H SER A 435 6.606 9.391 -2.173 1.00 0.46 H new ATOM 0 HA SER A 435 8.749 7.969 -3.276 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.375 10.753 -2.119 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.816 10.270 -2.991 1.00 0.62 H new ATOM 0 HG SER A 435 8.265 11.306 -4.363 1.00 1.01 H new ATOM 1816 N GLN A 436 9.029 8.821 -0.149 1.00 0.43 N ATOM 1817 CA GLN A 436 9.812 8.752 1.073 1.00 0.48 C ATOM 1818 C GLN A 436 9.826 7.351 1.658 1.00 0.45 C ATOM 1819 O GLN A 436 10.875 6.862 2.032 1.00 0.51 O ATOM 1820 CB GLN A 436 9.281 9.739 2.104 1.00 0.52 C ATOM 1821 CG GLN A 436 9.406 11.185 1.671 1.00 0.77 C ATOM 1822 CD GLN A 436 9.152 12.153 2.806 1.00 0.77 C ATOM 1823 OE1 GLN A 436 10.075 12.548 3.516 1.00 1.27 O ATOM 1824 NE2 GLN A 436 7.901 12.536 2.995 1.00 1.38 N ATOM 0 H GLN A 436 8.120 9.268 -0.028 1.00 0.43 H new ATOM 0 HA GLN A 436 10.837 9.017 0.815 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.233 9.516 2.303 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.820 9.600 3.041 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.405 11.356 1.269 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.700 11.382 0.865 1.00 0.77 H new ATOM 0 HE21 GLN A 436 7.163 12.186 2.384 1.00 1.38 H new ATOM 0 HE22 GLN A 436 7.674 13.182 3.751 1.00 1.38 H new ATOM 1833 N VAL A 437 8.664 6.714 1.744 1.00 0.38 N ATOM 1834 CA VAL A 437 8.564 5.353 2.278 1.00 0.38 C ATOM 1835 C VAL A 437 9.370 4.374 1.424 1.00 0.42 C ATOM 1836 O VAL A 437 9.935 3.396 1.923 1.00 0.49 O ATOM 1837 CB VAL A 437 7.085 4.895 2.383 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.294 5.285 1.151 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.990 3.398 2.597 1.00 0.38 C ATOM 0 H VAL A 437 7.774 7.116 1.451 1.00 0.38 H new ATOM 0 HA VAL A 437 8.984 5.361 3.284 1.00 0.38 H new ATOM 0 HB VAL A 437 6.655 5.403 3.246 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.263 4.948 1.259 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.312 6.369 1.035 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.737 4.819 0.271 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.942 3.106 2.667 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.456 2.880 1.758 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.504 3.129 3.520 1.00 0.38 H new ATOM 1849 N LEU A 438 9.453 4.674 0.141 1.00 0.41 N ATOM 1850 CA LEU A 438 10.223 3.870 -0.796 1.00 0.48 C ATOM 1851 C LEU A 438 11.716 4.142 -0.633 1.00 0.55 C ATOM 1852 O LEU A 438 12.555 3.477 -1.236 1.00 0.62 O ATOM 1853 CB LEU A 438 9.768 4.196 -2.214 1.00 0.48 C ATOM 1854 CG LEU A 438 8.270 3.974 -2.459 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.884 4.350 -3.878 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.874 2.542 -2.144 1.00 0.54 C ATOM 0 H LEU A 438 8.991 5.479 -0.282 1.00 0.41 H new ATOM 0 HA LEU A 438 10.054 2.812 -0.595 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.010 5.236 -2.431 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.334 3.583 -2.915 1.00 0.48 H new ATOM 0 HG LEU A 438 7.721 4.629 -1.783 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.817 4.182 -4.021 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.112 5.402 -4.051 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.446 3.737 -4.583 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.807 2.411 -2.326 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.437 1.860 -2.781 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.093 2.326 -1.098 1.00 0.54 H new