USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=21 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= -1.11 K(o=-2.3,f=0.53) USER MOD Set 1.2: A 436 GLN : amide:sc= -1.19 K(o=-2.3,f=-3.2!) USER MOD Set 2.1: A 401 ASN : amide:sc= 0 K(o=-0.26,f=-1.3) USER MOD Set 2.2: A 416 MET CE :methyl 164:sc= -0.261 (180deg=-0.795) USER MOD Single : A 340 TYR OH : rot 80:sc= -1.3 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 -37:sc= 0.573 USER MOD Single : A 348 SER OG : rot 180:sc= 0.097 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.13) USER MOD Single : A 359 LYS NZ :NH3+ -163:sc= -0.0706 (180deg=-0.363) USER MOD Single : A 361 SER OG : rot 4:sc= -3.18! USER MOD Single : A 362 LYS NZ :NH3+ -123:sc= -0.561 (180deg=-1.16) USER MOD Single : A 370 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 379 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -155:sc= -4.6! (180deg=-5.71!) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 40:sc= 0.0575 USER MOD Single : A 387 TYR OH : rot -95:sc= -0.368 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 MET CE :methyl -125:sc= -4.63! (180deg=-5.62!) USER MOD Single : A 391 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 396 HIS : no HD1:sc= -8.61! C(o=-8.6!,f=-15!) USER MOD Single : A 397 TYR OH : rot 30:sc= -2.35! 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= -3.16! C(o=-3.2!,f=-5.2!) USER MOD Single : A 417 LYS NZ :NH3+ -166:sc= 2.04 (180deg=1.54) USER MOD Single : A 418 THR OG1 : rot -58:sc= 0.896 USER MOD Single : A 423 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 424 SER OG : rot 98:sc= 1.31 USER MOD Single : A 427 THR OG1 : rot 170:sc= -0.0413 USER MOD Single : A 435 SER OG : rot 180:sc= 0.0401 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.167 7.344 -5.619 1.00 1.08 N ATOM 81 CA LEU A 336 -1.487 6.880 -4.419 1.00 0.60 C ATOM 82 C LEU A 336 -1.704 5.383 -4.211 1.00 0.50 C ATOM 83 O LEU A 336 -2.424 4.741 -4.978 1.00 0.62 O ATOM 84 CB LEU A 336 -2.009 7.643 -3.193 1.00 0.36 C ATOM 85 CG LEU A 336 -1.956 9.176 -3.269 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.524 9.788 -2.004 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.544 9.673 -3.480 1.00 0.39 C ATOM 0 HA LEU A 336 -0.420 7.065 -4.543 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.043 7.345 -3.020 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.436 7.324 -2.323 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.559 9.481 -4.124 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.479 10.875 -2.074 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.561 9.475 -1.882 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -1.941 9.455 -1.145 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.545 10.762 -3.529 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.084 9.348 -2.651 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.151 9.268 -4.413 1.00 0.39 H new ATOM 99 N LEU A 337 -1.101 4.842 -3.159 1.00 0.39 N ATOM 100 CA LEU A 337 -1.228 3.425 -2.837 1.00 0.30 C ATOM 101 C LEU A 337 -2.689 2.994 -2.778 1.00 0.26 C ATOM 102 O LEU A 337 -3.067 2.024 -3.432 1.00 0.25 O ATOM 103 CB LEU A 337 -0.525 3.124 -1.508 1.00 0.32 C ATOM 104 CG LEU A 337 -0.948 1.830 -0.799 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.627 0.610 -1.640 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.267 1.732 0.553 1.00 0.39 C ATOM 0 H LEU A 337 -0.515 5.367 -2.510 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.749 2.853 -3.632 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.549 3.080 -1.690 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.700 3.960 -0.830 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.028 1.860 -0.654 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -0.939 -0.290 -1.110 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.157 0.673 -2.590 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.446 0.568 -1.826 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.573 0.811 1.049 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.814 1.728 0.416 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.552 2.586 1.167 1.00 0.39 H new ATOM 118 N TRP A 338 -3.510 3.734 -2.028 1.00 0.25 N ATOM 119 CA TRP A 338 -4.915 3.369 -1.843 1.00 0.24 C ATOM 120 C TRP A 338 -5.672 3.284 -3.168 1.00 0.24 C ATOM 121 O TRP A 338 -6.670 2.576 -3.268 1.00 0.24 O ATOM 122 CB TRP A 338 -5.641 4.296 -0.847 1.00 0.24 C ATOM 123 CG TRP A 338 -5.413 5.777 -1.022 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.779 6.606 -0.145 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.838 6.612 -2.110 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.774 7.890 -0.620 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.418 7.922 -1.824 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.525 6.383 -3.297 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.664 8.990 -2.682 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.765 7.442 -4.147 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.338 8.732 -3.836 1.00 0.28 C ATOM 0 H TRP A 338 -3.227 4.585 -1.542 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.908 2.370 -1.406 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.712 4.104 -0.919 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.335 4.020 0.162 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.342 6.294 0.792 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.357 8.693 -0.150 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -6.866 5.390 -3.550 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.332 9.989 -2.440 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.294 7.268 -5.072 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.545 9.540 -4.522 1.00 0.28 H new ATOM 142 N ASP A 339 -5.201 3.999 -4.176 1.00 0.25 N ATOM 143 CA ASP A 339 -5.856 3.995 -5.479 1.00 0.27 C ATOM 144 C ASP A 339 -5.521 2.721 -6.228 1.00 0.26 C ATOM 145 O ASP A 339 -6.406 2.030 -6.732 1.00 0.33 O ATOM 146 CB ASP A 339 -5.430 5.216 -6.297 1.00 0.36 C ATOM 147 CG ASP A 339 -6.006 5.212 -7.695 1.00 1.00 C ATOM 148 OD1 ASP A 339 -5.364 4.650 -8.599 1.00 1.19 O ATOM 149 OD2 ASP A 339 -7.091 5.797 -7.900 1.00 1.80 O ATOM 0 H ASP A 339 -4.371 4.589 -4.121 1.00 0.25 H new ATOM 0 HA ASP A 339 -6.934 4.041 -5.325 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.746 6.122 -5.781 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.342 5.247 -6.357 1.00 0.36 H new ATOM 154 N TYR A 340 -4.238 2.399 -6.265 1.00 0.22 N ATOM 155 CA TYR A 340 -3.765 1.219 -6.968 1.00 0.20 C ATOM 156 C TYR A 340 -4.333 -0.055 -6.347 1.00 0.17 C ATOM 157 O TYR A 340 -4.771 -0.961 -7.055 1.00 0.17 O ATOM 158 CB TYR A 340 -2.238 1.172 -6.959 1.00 0.21 C ATOM 159 CG TYR A 340 -1.692 -0.058 -7.630 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.601 -0.133 -9.013 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.285 -1.150 -6.879 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.120 -1.267 -9.631 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.797 -2.287 -7.491 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.718 -2.339 -8.871 1.00 0.24 C ATOM 165 OH TYR A 340 -0.244 -3.472 -9.493 1.00 0.28 O ATOM 0 H TYR A 340 -3.502 2.942 -5.813 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.112 1.280 -7.999 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.848 2.058 -7.460 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -1.883 1.207 -5.929 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.912 0.709 -9.613 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.351 -1.111 -5.802 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.059 -1.313 -10.708 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.479 -3.130 -6.896 1.00 0.18 H new ATOM 0 HH TYR A 340 0.690 -3.335 -9.756 1.00 0.28 H new ATOM 175 N VAL A 341 -4.324 -0.125 -5.023 1.00 0.17 N ATOM 176 CA VAL A 341 -4.857 -1.288 -4.323 1.00 0.15 C ATOM 177 C VAL A 341 -6.361 -1.420 -4.562 1.00 0.15 C ATOM 178 O VAL A 341 -6.876 -2.520 -4.762 1.00 0.15 O ATOM 179 CB VAL A 341 -4.547 -1.232 -2.808 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.916 0.113 -2.222 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.269 -2.338 -2.059 1.00 0.15 C ATOM 0 H VAL A 341 -3.956 0.605 -4.414 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.363 -2.171 -4.728 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.473 -1.377 -2.693 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.686 0.121 -1.156 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.346 0.896 -2.722 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -5.982 0.292 -2.365 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.032 -2.273 -0.997 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.345 -2.229 -2.198 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.949 -3.307 -2.444 1.00 0.15 H new ATOM 191 N TYR A 342 -7.052 -0.288 -4.575 1.00 0.17 N ATOM 192 CA TYR A 342 -8.482 -0.260 -4.862 1.00 0.17 C ATOM 193 C TYR A 342 -8.736 -0.711 -6.301 1.00 0.17 C ATOM 194 O TYR A 342 -9.757 -1.332 -6.606 1.00 0.18 O ATOM 195 CB TYR A 342 -9.028 1.153 -4.628 1.00 0.20 C ATOM 196 CG TYR A 342 -10.511 1.310 -4.873 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.442 0.716 -4.031 1.00 0.48 C ATOM 198 CD2 TYR A 342 -10.979 2.063 -5.943 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.797 0.869 -4.248 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.333 2.221 -6.165 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.238 1.622 -5.315 1.00 0.71 C ATOM 202 OH TYR A 342 -14.587 1.778 -5.530 1.00 0.92 O ATOM 0 H TYR A 342 -6.644 0.628 -4.389 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.000 -0.947 -4.193 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.811 1.445 -3.600 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.492 1.846 -5.276 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.101 0.125 -3.194 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.273 2.532 -6.612 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.509 0.400 -3.584 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -12.681 2.811 -7.000 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.729 2.338 -6.322 1.00 0.92 H new ATOM 212 N GLN A 343 -7.786 -0.398 -7.171 1.00 0.18 N ATOM 213 CA GLN A 343 -7.834 -0.811 -8.567 1.00 0.19 C ATOM 214 C GLN A 343 -7.707 -2.330 -8.691 1.00 0.18 C ATOM 215 O GLN A 343 -8.348 -2.948 -9.541 1.00 0.23 O ATOM 216 CB GLN A 343 -6.708 -0.124 -9.343 1.00 0.26 C ATOM 217 CG GLN A 343 -6.714 -0.407 -10.833 1.00 0.71 C ATOM 218 CD GLN A 343 -5.498 0.178 -11.521 1.00 1.41 C ATOM 219 OE1 GLN A 343 -4.474 -0.487 -11.668 1.00 2.07 O ATOM 220 NE2 GLN A 343 -5.595 1.431 -11.933 1.00 2.22 N ATOM 0 H GLN A 343 -6.960 0.149 -6.929 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.796 -0.516 -8.985 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -6.781 0.953 -9.189 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.751 -0.441 -8.929 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.742 -1.484 -10.998 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.618 0.008 -11.278 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -6.463 1.948 -11.792 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -4.802 1.880 -12.392 1.00 2.22 H new ATOM 229 N LEU A 344 -6.895 -2.928 -7.821 1.00 0.16 N ATOM 230 CA LEU A 344 -6.673 -4.367 -7.845 1.00 0.15 C ATOM 231 C LEU A 344 -7.937 -5.088 -7.402 1.00 0.17 C ATOM 232 O LEU A 344 -8.219 -6.209 -7.819 1.00 0.24 O ATOM 233 CB LEU A 344 -5.518 -4.749 -6.918 1.00 0.15 C ATOM 234 CG LEU A 344 -4.179 -4.066 -7.200 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.150 -4.492 -6.171 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.686 -4.380 -8.604 1.00 0.19 C ATOM 0 H LEU A 344 -6.381 -2.435 -7.091 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.419 -4.662 -8.863 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.811 -4.522 -5.893 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.373 -5.828 -6.976 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.326 -2.988 -7.131 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.200 -4.000 -6.381 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.493 -4.210 -5.175 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.016 -5.573 -6.216 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.732 -3.881 -8.775 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.556 -5.457 -8.712 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.416 -4.028 -9.333 1.00 0.19 H new ATOM 248 N LEU A 345 -8.691 -4.410 -6.551 1.00 0.18 N ATOM 249 CA LEU A 345 -9.944 -4.926 -6.033 1.00 0.20 C ATOM 250 C LEU A 345 -11.009 -4.971 -7.120 1.00 0.25 C ATOM 251 O LEU A 345 -12.020 -5.662 -6.988 1.00 0.36 O ATOM 252 CB LEU A 345 -10.427 -4.043 -4.883 1.00 0.17 C ATOM 253 CG LEU A 345 -9.540 -4.060 -3.644 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.905 -2.933 -2.697 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.656 -5.395 -2.938 1.00 0.15 C ATOM 0 H LEU A 345 -8.449 -3.483 -6.200 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.773 -5.941 -5.675 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.506 -3.017 -5.241 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.430 -4.360 -4.598 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.508 -3.914 -3.962 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.257 -2.969 -1.822 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.778 -1.976 -3.204 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.943 -3.043 -2.384 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.018 -5.396 -2.054 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.691 -5.559 -2.638 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.343 -6.192 -3.613 1.00 0.15 H new ATOM 267 N SER A 346 -10.769 -4.234 -8.194 1.00 0.28 N ATOM 268 CA SER A 346 -11.744 -4.096 -9.259 1.00 0.35 C ATOM 269 C SER A 346 -11.453 -5.069 -10.400 1.00 0.36 C ATOM 270 O SER A 346 -12.108 -5.028 -11.447 1.00 0.54 O ATOM 271 CB SER A 346 -11.748 -2.652 -9.764 1.00 0.46 C ATOM 272 OG SER A 346 -12.792 -2.429 -10.696 1.00 1.06 O ATOM 0 H SER A 346 -9.901 -3.721 -8.349 1.00 0.28 H new ATOM 0 HA SER A 346 -12.731 -4.339 -8.866 1.00 0.35 H new ATOM 0 HB2 SER A 346 -11.861 -1.971 -8.920 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.789 -2.426 -10.230 1.00 0.46 H new ATOM 0 HG SER A 346 -12.906 -3.225 -11.256 1.00 1.06 H new ATOM 278 N ASP A 347 -10.479 -5.950 -10.205 1.00 0.32 N ATOM 279 CA ASP A 347 -10.117 -6.909 -11.239 1.00 0.34 C ATOM 280 C ASP A 347 -9.827 -8.274 -10.627 1.00 0.34 C ATOM 281 O ASP A 347 -9.063 -8.384 -9.666 1.00 0.43 O ATOM 282 CB ASP A 347 -8.894 -6.432 -12.021 1.00 0.41 C ATOM 283 CG ASP A 347 -8.927 -6.889 -13.469 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.461 -7.988 -13.744 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.413 -6.155 -14.339 1.00 1.18 O ATOM 0 H ASP A 347 -9.930 -6.020 -9.348 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.962 -6.994 -11.922 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.844 -5.344 -11.986 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -7.989 -6.808 -11.543 1.00 0.41 H new ATOM 290 N SER A 348 -10.413 -9.311 -11.209 1.00 0.40 N ATOM 291 CA SER A 348 -10.301 -10.665 -10.689 1.00 0.43 C ATOM 292 C SER A 348 -8.922 -11.280 -10.951 1.00 0.35 C ATOM 293 O SER A 348 -8.623 -12.375 -10.477 1.00 0.40 O ATOM 294 CB SER A 348 -11.403 -11.523 -11.304 1.00 0.59 C ATOM 295 OG SER A 348 -11.674 -11.110 -12.635 1.00 0.79 O ATOM 0 H SER A 348 -10.979 -9.237 -12.054 1.00 0.40 H new ATOM 0 HA SER A 348 -10.418 -10.627 -9.606 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.102 -12.571 -11.297 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.309 -11.447 -10.702 1.00 0.59 H new ATOM 0 HG SER A 348 -12.382 -11.672 -13.014 1.00 0.79 H new ATOM 301 N ARG A 349 -8.087 -10.575 -11.713 1.00 0.34 N ATOM 302 CA ARG A 349 -6.710 -10.996 -11.945 1.00 0.37 C ATOM 303 C ARG A 349 -5.990 -11.171 -10.626 1.00 0.31 C ATOM 304 O ARG A 349 -5.259 -12.134 -10.405 1.00 0.42 O ATOM 305 CB ARG A 349 -5.976 -9.939 -12.735 1.00 0.45 C ATOM 306 CG ARG A 349 -6.767 -9.408 -13.893 1.00 0.71 C ATOM 307 CD ARG A 349 -5.938 -8.491 -14.737 1.00 1.07 C ATOM 308 NE ARG A 349 -6.738 -7.870 -15.786 1.00 1.86 N ATOM 309 CZ ARG A 349 -6.612 -8.137 -17.082 1.00 2.54 C ATOM 310 NH1 ARG A 349 -5.705 -9.009 -17.503 1.00 2.75 N ATOM 311 NH2 ARG A 349 -7.406 -7.537 -17.957 1.00 3.43 N ATOM 0 H ARG A 349 -8.344 -9.706 -12.181 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.729 -11.938 -12.493 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.717 -9.114 -12.072 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.039 -10.356 -13.105 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.130 -10.237 -14.500 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.644 -8.875 -13.525 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.494 -7.718 -14.110 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -5.116 -9.049 -15.185 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.441 -7.185 -15.507 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -5.099 -9.479 -16.831 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -5.614 -9.209 -18.499 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -8.110 -6.873 -17.635 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -7.313 -7.739 -18.952 1.00 3.43 H new ATOM 325 N TYR A 350 -6.213 -10.207 -9.754 1.00 0.26 N ATOM 326 CA TYR A 350 -5.492 -10.113 -8.507 1.00 0.30 C ATOM 327 C TYR A 350 -6.267 -10.723 -7.349 1.00 0.24 C ATOM 328 O TYR A 350 -5.987 -10.407 -6.208 1.00 0.25 O ATOM 329 CB TYR A 350 -5.216 -8.642 -8.203 1.00 0.40 C ATOM 330 CG TYR A 350 -4.901 -7.837 -9.439 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.660 -7.924 -10.043 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.857 -7.005 -10.017 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.372 -7.203 -11.181 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.576 -6.286 -11.157 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.333 -6.387 -11.738 1.00 0.63 C ATOM 336 OH TYR A 350 -4.048 -5.673 -12.880 1.00 0.72 O ATOM 0 H TYR A 350 -6.901 -9.467 -9.894 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.562 -10.671 -8.615 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.084 -8.210 -7.705 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.381 -8.571 -7.506 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.905 -8.567 -9.616 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.834 -6.923 -9.564 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.395 -7.277 -11.636 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.328 -5.645 -11.593 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.833 -5.149 -13.142 1.00 0.72 H new ATOM 346 N GLU A 351 -7.223 -11.605 -7.624 1.00 0.22 N ATOM 347 CA GLU A 351 -8.058 -12.163 -6.553 1.00 0.23 C ATOM 348 C GLU A 351 -7.222 -12.974 -5.558 1.00 0.21 C ATOM 349 O GLU A 351 -7.564 -13.078 -4.380 1.00 0.25 O ATOM 350 CB GLU A 351 -9.189 -13.031 -7.115 1.00 0.31 C ATOM 351 CG GLU A 351 -8.714 -14.282 -7.836 1.00 0.36 C ATOM 352 CD GLU A 351 -9.852 -15.226 -8.161 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.252 -16.017 -7.283 1.00 1.45 O ATOM 354 OE2 GLU A 351 -10.355 -15.181 -9.303 1.00 1.22 O ATOM 0 H GLU A 351 -7.441 -11.947 -8.560 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.502 -11.319 -6.026 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.848 -13.324 -6.297 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.784 -12.432 -7.804 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.207 -13.997 -8.758 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.981 -14.799 -7.217 1.00 0.36 H new ATOM 361 N ASN A 352 -6.121 -13.538 -6.033 1.00 0.22 N ATOM 362 CA ASN A 352 -5.230 -14.319 -5.190 1.00 0.24 C ATOM 363 C ASN A 352 -4.198 -13.401 -4.541 1.00 0.19 C ATOM 364 O ASN A 352 -3.350 -13.836 -3.766 1.00 0.21 O ATOM 365 CB ASN A 352 -4.545 -15.410 -6.019 1.00 0.32 C ATOM 366 CG ASN A 352 -3.778 -16.409 -5.174 1.00 0.62 C ATOM 367 OD1 ASN A 352 -2.763 -16.953 -5.609 1.00 1.06 O ATOM 368 ND2 ASN A 352 -4.263 -16.683 -3.977 1.00 1.06 N ATOM 0 H ASN A 352 -5.822 -13.468 -7.006 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.808 -14.802 -4.402 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.297 -15.940 -6.603 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.861 -14.943 -6.728 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.794 -17.365 -3.381 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -5.107 -16.213 -3.649 1.00 1.06 H new ATOM 375 N PHE A 353 -4.283 -12.124 -4.877 1.00 0.16 N ATOM 376 CA PHE A 353 -3.432 -11.107 -4.282 1.00 0.14 C ATOM 377 C PHE A 353 -4.249 -10.274 -3.304 1.00 0.12 C ATOM 378 O PHE A 353 -3.807 -9.978 -2.198 1.00 0.11 O ATOM 379 CB PHE A 353 -2.846 -10.191 -5.362 1.00 0.16 C ATOM 380 CG PHE A 353 -1.962 -10.885 -6.360 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.503 -11.671 -7.365 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.589 -10.735 -6.301 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.690 -12.299 -8.287 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.230 -11.356 -7.222 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.322 -12.140 -8.216 1.00 0.29 C ATOM 0 H PHE A 353 -4.942 -11.764 -5.568 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.612 -11.600 -3.759 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.666 -9.710 -5.895 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.273 -9.400 -4.877 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.574 -11.794 -7.428 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.152 -10.124 -5.525 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -2.124 -12.913 -9.062 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.301 -11.229 -7.166 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.317 -12.628 -8.937 1.00 0.29 H new ATOM 395 N ILE A 354 -5.444 -9.894 -3.737 1.00 0.11 N ATOM 396 CA ILE A 354 -6.355 -9.101 -2.935 1.00 0.11 C ATOM 397 C ILE A 354 -7.794 -9.284 -3.435 1.00 0.12 C ATOM 398 O ILE A 354 -8.017 -9.484 -4.628 1.00 0.16 O ATOM 399 CB ILE A 354 -5.956 -7.614 -2.987 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.717 -6.827 -1.933 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.201 -7.030 -4.374 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.171 -5.445 -1.726 1.00 0.12 C ATOM 0 H ILE A 354 -5.807 -10.131 -4.660 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.298 -9.440 -1.901 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.889 -7.539 -2.776 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.765 -6.758 -2.225 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.685 -7.370 -0.988 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.911 -5.979 -4.383 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.609 -7.576 -5.108 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.259 -7.116 -4.624 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.756 -4.933 -0.962 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.131 -5.509 -1.405 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.228 -4.887 -2.661 1.00 0.12 H new ATOM 414 N ARG A 355 -8.766 -9.238 -2.536 1.00 0.12 N ATOM 415 CA ARG A 355 -10.161 -9.406 -2.929 1.00 0.14 C ATOM 416 C ARG A 355 -11.102 -8.722 -1.942 1.00 0.14 C ATOM 417 O ARG A 355 -10.777 -8.569 -0.761 1.00 0.15 O ATOM 418 CB ARG A 355 -10.509 -10.896 -3.038 1.00 0.18 C ATOM 419 CG ARG A 355 -10.313 -11.666 -1.742 1.00 0.24 C ATOM 420 CD ARG A 355 -10.696 -13.131 -1.890 1.00 0.40 C ATOM 421 NE ARG A 355 -9.925 -13.814 -2.927 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.463 -14.611 -3.847 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.781 -14.775 -3.902 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.682 -15.245 -4.712 1.00 2.39 N ATOM 0 H ARG A 355 -8.619 -9.087 -1.538 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.291 -8.936 -3.904 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.547 -10.995 -3.356 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.893 -11.348 -3.815 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.271 -11.593 -1.430 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.914 -11.211 -0.955 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -10.546 -13.639 -0.938 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -11.758 -13.203 -2.126 1.00 0.40 H new ATOM 0 HE ARG A 355 -8.915 -13.671 -2.947 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.384 -14.289 -3.238 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -12.190 -15.387 -4.609 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.670 -15.121 -4.671 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -10.093 -15.856 -5.418 1.00 2.39 H new ATOM 438 N TRP A 356 -12.255 -8.293 -2.443 1.00 0.15 N ATOM 439 CA TRP A 356 -13.305 -7.726 -1.605 1.00 0.16 C ATOM 440 C TRP A 356 -13.958 -8.806 -0.752 1.00 0.18 C ATOM 441 O TRP A 356 -14.551 -9.750 -1.277 1.00 0.25 O ATOM 442 CB TRP A 356 -14.383 -7.065 -2.464 1.00 0.18 C ATOM 443 CG TRP A 356 -14.021 -5.712 -2.984 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.806 -5.355 -4.282 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.854 -4.528 -2.209 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.516 -4.014 -4.356 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.542 -3.488 -3.094 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.937 -4.249 -0.851 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.319 -2.189 -2.656 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.716 -2.964 -0.420 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.409 -1.944 -1.318 1.00 0.20 C ATOM 0 H TRP A 356 -12.487 -8.328 -3.436 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.841 -6.980 -0.959 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.606 -7.717 -3.309 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.297 -6.981 -1.876 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.856 -6.026 -5.126 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.315 -3.496 -5.211 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.172 -5.031 -0.144 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.082 -1.399 -3.353 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.781 -2.740 0.634 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.240 -0.943 -0.948 1.00 0.20 H new ATOM 462 N GLU A 357 -13.855 -8.662 0.558 1.00 0.18 N ATOM 463 CA GLU A 357 -14.524 -9.566 1.475 1.00 0.22 C ATOM 464 C GLU A 357 -15.965 -9.130 1.635 1.00 0.22 C ATOM 465 O GLU A 357 -16.890 -9.943 1.627 1.00 0.31 O ATOM 466 CB GLU A 357 -13.829 -9.562 2.827 1.00 0.25 C ATOM 467 CG GLU A 357 -12.457 -10.194 2.796 1.00 0.52 C ATOM 468 CD GLU A 357 -12.509 -11.682 2.539 1.00 0.45 C ATOM 469 OE1 GLU A 357 -12.625 -12.451 3.509 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.451 -12.080 1.354 1.00 0.79 O ATOM 0 H GLU A 357 -13.313 -7.926 1.010 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.487 -10.578 1.073 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.740 -8.534 3.179 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.450 -10.093 3.548 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -11.858 -9.716 2.021 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -11.955 -10.010 3.746 1.00 0.52 H new ATOM 477 N ASP A 358 -16.136 -7.827 1.761 1.00 0.19 N ATOM 478 CA ASP A 358 -17.446 -7.230 1.889 1.00 0.22 C ATOM 479 C ASP A 358 -17.425 -5.837 1.284 1.00 0.20 C ATOM 480 O ASP A 358 -17.179 -4.856 1.978 1.00 0.22 O ATOM 481 CB ASP A 358 -17.853 -7.153 3.358 1.00 0.28 C ATOM 482 CG ASP A 358 -19.345 -6.963 3.520 1.00 1.02 C ATOM 483 OD1 ASP A 358 -20.092 -7.352 2.605 1.00 2.07 O ATOM 484 OD2 ASP A 358 -19.768 -6.417 4.559 1.00 1.30 O ATOM 0 H ASP A 358 -15.368 -7.155 1.777 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.173 -7.847 1.360 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.546 -8.066 3.868 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.328 -6.327 3.838 1.00 0.28 H new ATOM 489 N LYS A 359 -17.666 -5.757 -0.016 1.00 0.23 N ATOM 490 CA LYS A 359 -17.561 -4.491 -0.736 1.00 0.26 C ATOM 491 C LYS A 359 -18.555 -3.448 -0.213 1.00 0.28 C ATOM 492 O LYS A 359 -18.324 -2.245 -0.343 1.00 0.33 O ATOM 493 CB LYS A 359 -17.744 -4.694 -2.238 1.00 0.35 C ATOM 494 CG LYS A 359 -17.527 -3.417 -3.038 1.00 0.41 C ATOM 495 CD LYS A 359 -17.449 -3.677 -4.531 1.00 0.60 C ATOM 496 CE LYS A 359 -17.324 -2.378 -5.314 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.498 -1.487 -5.113 1.00 1.65 N ATOM 0 H LYS A 359 -17.936 -6.552 -0.596 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.556 -4.109 -0.557 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.047 -5.457 -2.584 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.749 -5.070 -2.429 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.341 -2.721 -2.835 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.607 -2.936 -2.707 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.594 -4.317 -4.746 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.340 -4.215 -4.855 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.417 -1.857 -5.007 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -17.219 -2.604 -6.375 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.519 -0.766 -5.862 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -19.372 -2.050 -5.150 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.426 -1.021 -4.186 1.00 1.65 H new ATOM 511 N GLU A 360 -19.647 -3.904 0.396 1.00 0.32 N ATOM 512 CA GLU A 360 -20.687 -3.003 0.858 1.00 0.36 C ATOM 513 C GLU A 360 -20.199 -2.235 2.079 1.00 0.34 C ATOM 514 O GLU A 360 -20.473 -1.047 2.241 1.00 0.42 O ATOM 515 CB GLU A 360 -21.960 -3.782 1.190 1.00 0.45 C ATOM 516 CG GLU A 360 -23.107 -2.899 1.639 1.00 0.94 C ATOM 517 CD GLU A 360 -24.334 -3.695 2.020 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.363 -4.255 3.136 1.00 1.40 O ATOM 519 OE2 GLU A 360 -25.276 -3.770 1.203 1.00 1.33 O ATOM 0 H GLU A 360 -19.830 -4.891 0.578 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.919 -2.293 0.064 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.270 -4.348 0.312 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.740 -4.506 1.975 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.788 -2.299 2.491 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -23.362 -2.205 0.838 1.00 0.94 H new ATOM 526 N SER A 361 -19.450 -2.931 2.918 1.00 0.28 N ATOM 527 CA SER A 361 -18.871 -2.350 4.111 1.00 0.27 C ATOM 528 C SER A 361 -17.518 -1.719 3.792 1.00 0.23 C ATOM 529 O SER A 361 -16.947 -1.002 4.616 1.00 0.25 O ATOM 530 CB SER A 361 -18.695 -3.444 5.153 1.00 0.29 C ATOM 531 OG SER A 361 -17.975 -4.524 4.615 1.00 1.10 O ATOM 0 H SER A 361 -19.228 -3.918 2.788 1.00 0.28 H new ATOM 0 HA SER A 361 -19.533 -1.573 4.493 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.170 -3.046 6.022 1.00 0.29 H new ATOM 0 HB3 SER A 361 -19.671 -3.786 5.499 1.00 0.29 H new ATOM 0 HG SER A 361 -17.696 -4.308 3.701 1.00 1.10 H new ATOM 537 N LYS A 362 -17.030 -2.004 2.576 1.00 0.20 N ATOM 538 CA LYS A 362 -15.701 -1.587 2.118 1.00 0.19 C ATOM 539 C LYS A 362 -14.621 -2.418 2.802 1.00 0.15 C ATOM 540 O LYS A 362 -13.476 -1.988 2.944 1.00 0.16 O ATOM 541 CB LYS A 362 -15.475 -0.092 2.353 1.00 0.24 C ATOM 542 CG LYS A 362 -16.562 0.767 1.737 1.00 0.33 C ATOM 543 CD LYS A 362 -16.185 1.223 0.342 1.00 0.46 C ATOM 544 CE LYS A 362 -15.377 2.502 0.398 1.00 1.22 C ATOM 545 NZ LYS A 362 -16.150 3.604 1.033 1.00 1.83 N ATOM 0 H LYS A 362 -17.552 -2.535 1.879 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.642 -1.760 1.044 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.429 0.100 3.425 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.510 0.196 1.936 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.494 0.203 1.697 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.742 1.637 2.369 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.609 0.444 -0.157 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -17.086 1.382 -0.250 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -14.458 2.330 0.959 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -15.085 2.794 -0.611 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -16.210 4.409 0.377 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.108 3.270 1.260 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -15.672 3.904 1.907 1.00 1.83 H new ATOM 559 N ILE A 363 -15.002 -3.622 3.215 1.00 0.14 N ATOM 560 CA ILE A 363 -14.080 -4.555 3.853 1.00 0.13 C ATOM 561 C ILE A 363 -13.361 -5.352 2.770 1.00 0.11 C ATOM 562 O ILE A 363 -13.999 -6.030 1.960 1.00 0.14 O ATOM 563 CB ILE A 363 -14.806 -5.538 4.826 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.308 -4.856 6.116 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.877 -6.681 5.204 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.605 -3.395 5.988 1.00 0.19 C ATOM 0 H ILE A 363 -15.953 -3.977 3.118 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.373 -3.976 4.446 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.679 -5.910 4.289 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -16.211 -5.366 6.450 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.558 -4.991 6.895 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.393 -7.360 5.883 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.581 -7.222 4.305 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.990 -6.282 5.696 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.951 -3.009 6.947 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.701 -2.865 5.688 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.380 -3.246 5.236 1.00 0.19 H new ATOM 578 N PHE A 364 -12.043 -5.276 2.751 1.00 0.09 N ATOM 579 CA PHE A 364 -11.268 -5.906 1.696 1.00 0.08 C ATOM 580 C PHE A 364 -10.089 -6.658 2.297 1.00 0.08 C ATOM 581 O PHE A 364 -9.499 -6.219 3.284 1.00 0.09 O ATOM 582 CB PHE A 364 -10.795 -4.852 0.688 1.00 0.09 C ATOM 583 CG PHE A 364 -9.583 -4.071 1.114 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.678 -3.063 2.060 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.347 -4.348 0.559 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.555 -2.347 2.439 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.226 -3.638 0.933 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.327 -2.637 1.871 1.00 0.10 C ATOM 0 H PHE A 364 -11.487 -4.786 3.452 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.896 -6.622 1.166 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.577 -5.347 -0.258 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.612 -4.155 0.502 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.635 -2.834 2.505 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.259 -5.132 -0.178 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.637 -1.563 3.177 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.268 -3.868 0.489 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.450 -2.079 2.163 1.00 0.10 H new ATOM 598 N ARG A 365 -9.757 -7.798 1.717 1.00 0.08 N ATOM 599 CA ARG A 365 -8.676 -8.609 2.234 1.00 0.09 C ATOM 600 C ARG A 365 -7.495 -8.594 1.312 1.00 0.09 C ATOM 601 O ARG A 365 -7.631 -8.805 0.107 1.00 0.10 O ATOM 602 CB ARG A 365 -9.091 -10.063 2.416 1.00 0.13 C ATOM 603 CG ARG A 365 -7.950 -10.937 2.914 1.00 0.20 C ATOM 604 CD ARG A 365 -8.129 -12.404 2.555 1.00 0.26 C ATOM 605 NE ARG A 365 -9.417 -12.927 2.974 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.785 -14.198 2.821 1.00 0.73 C ATOM 607 NH1 ARG A 365 -8.896 -15.107 2.427 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.031 -14.559 3.082 1.00 1.14 N ATOM 0 H ARG A 365 -10.220 -8.179 0.892 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.414 -8.175 3.199 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.919 -10.115 3.123 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.457 -10.455 1.467 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.012 -10.577 2.492 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.870 -10.840 3.997 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.025 -12.526 1.477 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.335 -12.988 3.020 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.078 -12.284 3.411 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -7.932 -14.831 2.242 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.179 -16.080 2.310 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.707 -13.865 3.400 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.315 -15.532 2.966 1.00 1.14 H new ATOM 622 N ILE A 366 -6.335 -8.383 1.884 1.00 0.09 N ATOM 623 CA ILE A 366 -5.114 -8.620 1.168 1.00 0.09 C ATOM 624 C ILE A 366 -4.782 -10.096 1.273 1.00 0.09 C ATOM 625 O ILE A 366 -4.497 -10.622 2.352 1.00 0.12 O ATOM 626 CB ILE A 366 -3.974 -7.723 1.674 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.262 -6.286 1.216 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.625 -8.224 1.170 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.257 -5.257 1.673 1.00 0.12 C ATOM 0 H ILE A 366 -6.215 -8.049 2.840 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.243 -8.358 0.118 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.923 -7.750 2.762 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.306 -6.270 0.127 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.248 -5.996 1.580 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.833 -7.573 1.541 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.457 -9.240 1.528 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.619 -8.218 0.080 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.547 -4.275 1.300 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.227 -5.237 2.762 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.271 -5.515 1.287 1.00 0.12 H new ATOM 641 N VAL A 367 -4.886 -10.757 0.140 1.00 0.10 N ATOM 642 CA VAL A 367 -4.833 -12.204 0.069 1.00 0.12 C ATOM 643 C VAL A 367 -3.394 -12.697 0.034 1.00 0.13 C ATOM 644 O VAL A 367 -3.019 -13.617 0.762 1.00 0.19 O ATOM 645 CB VAL A 367 -5.600 -12.690 -1.173 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.416 -14.175 -1.383 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.075 -12.355 -1.044 1.00 0.20 C ATOM 0 H VAL A 367 -5.011 -10.303 -0.765 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.303 -12.614 0.963 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.194 -12.174 -2.043 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.970 -14.489 -2.268 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.357 -14.395 -1.521 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.788 -14.714 -0.512 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.606 -12.704 -1.929 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.483 -12.844 -0.159 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.196 -11.276 -0.950 1.00 0.20 H new ATOM 657 N ASP A 368 -2.590 -12.077 -0.808 1.00 0.12 N ATOM 658 CA ASP A 368 -1.173 -12.382 -0.868 1.00 0.13 C ATOM 659 C ASP A 368 -0.385 -11.104 -0.736 1.00 0.12 C ATOM 660 O ASP A 368 -0.058 -10.450 -1.724 1.00 0.12 O ATOM 661 CB ASP A 368 -0.801 -13.101 -2.160 1.00 0.18 C ATOM 662 CG ASP A 368 0.585 -13.714 -2.090 1.00 0.25 C ATOM 663 OD1 ASP A 368 0.715 -14.873 -1.647 1.00 0.52 O ATOM 664 OD2 ASP A 368 1.556 -13.026 -2.475 1.00 0.50 O ATOM 0 H ASP A 368 -2.895 -11.356 -1.462 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.932 -13.054 -0.045 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.533 -13.882 -2.364 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.845 -12.398 -2.992 1.00 0.18 H new ATOM 669 N PRO A 369 -0.106 -10.723 0.508 1.00 0.11 N ATOM 670 CA PRO A 369 0.543 -9.465 0.836 1.00 0.11 C ATOM 671 C PRO A 369 1.859 -9.250 0.104 1.00 0.12 C ATOM 672 O PRO A 369 2.154 -8.143 -0.347 1.00 0.14 O ATOM 673 CB PRO A 369 0.758 -9.574 2.344 1.00 0.13 C ATOM 674 CG PRO A 369 -0.324 -10.463 2.785 1.00 0.13 C ATOM 675 CD PRO A 369 -0.437 -11.484 1.714 1.00 0.13 C ATOM 0 HA PRO A 369 -0.059 -8.608 0.534 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.738 -9.988 2.580 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.699 -8.600 2.829 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.092 -10.922 3.746 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.259 -9.916 2.910 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.252 -12.314 1.871 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.440 -11.908 1.663 1.00 0.13 H new ATOM 683 N ASN A 370 2.636 -10.311 -0.019 1.00 0.15 N ATOM 684 CA ASN A 370 3.910 -10.251 -0.727 1.00 0.18 C ATOM 685 C ASN A 370 3.687 -9.828 -2.173 1.00 0.16 C ATOM 686 O ASN A 370 4.318 -8.894 -2.669 1.00 0.17 O ATOM 687 CB ASN A 370 4.588 -11.616 -0.696 1.00 0.25 C ATOM 688 CG ASN A 370 5.983 -11.592 -1.286 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.700 -10.596 -1.187 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.371 -12.690 -1.915 1.00 0.99 N ATOM 0 H ASN A 370 2.409 -11.229 0.362 1.00 0.15 H new ATOM 0 HA ASN A 370 4.549 -9.519 -0.234 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.640 -11.967 0.335 1.00 0.25 H new ATOM 0 HB3 ASN A 370 3.978 -12.332 -1.246 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.297 -12.733 -2.341 1.00 0.99 H new ATOM 0 HD22 ASN A 370 5.744 -13.493 -1.973 1.00 0.99 H new ATOM 697 N GLY A 371 2.766 -10.518 -2.834 1.00 0.16 N ATOM 698 CA GLY A 371 2.443 -10.212 -4.215 1.00 0.17 C ATOM 699 C GLY A 371 1.759 -8.871 -4.364 1.00 0.14 C ATOM 700 O GLY A 371 1.945 -8.185 -5.367 1.00 0.16 O ATOM 0 H GLY A 371 2.233 -11.290 -2.434 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.357 -10.219 -4.809 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.797 -10.993 -4.616 1.00 0.17 H new ATOM 704 N LEU A 372 0.964 -8.505 -3.366 1.00 0.13 N ATOM 705 CA LEU A 372 0.293 -7.210 -3.345 1.00 0.12 C ATOM 706 C LEU A 372 1.336 -6.098 -3.338 1.00 0.12 C ATOM 707 O LEU A 372 1.257 -5.143 -4.115 1.00 0.12 O ATOM 708 CB LEU A 372 -0.600 -7.111 -2.102 1.00 0.12 C ATOM 709 CG LEU A 372 -1.870 -6.268 -2.248 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.549 -4.805 -2.523 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.744 -6.834 -3.354 1.00 0.14 C ATOM 0 H LEU A 372 0.767 -9.091 -2.555 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.330 -7.106 -4.233 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.890 -8.119 -1.807 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.007 -6.699 -1.286 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.410 -6.312 -1.302 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.477 -4.241 -2.620 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.963 -4.400 -1.698 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.978 -4.725 -3.448 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.645 -6.229 -3.451 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.194 -6.820 -4.295 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -3.021 -7.860 -3.110 1.00 0.14 H new ATOM 723 N ALA A 373 2.320 -6.249 -2.464 1.00 0.13 N ATOM 724 CA ALA A 373 3.439 -5.323 -2.382 1.00 0.16 C ATOM 725 C ALA A 373 4.211 -5.306 -3.696 1.00 0.18 C ATOM 726 O ALA A 373 4.617 -4.250 -4.175 1.00 0.22 O ATOM 727 CB ALA A 373 4.343 -5.738 -1.246 1.00 0.18 C ATOM 0 H ALA A 373 2.365 -7.016 -1.793 1.00 0.13 H new ATOM 0 HA ALA A 373 3.063 -4.317 -2.196 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.184 -5.048 -1.179 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.784 -5.720 -0.311 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.715 -6.746 -1.427 1.00 0.18 H new ATOM 733 N ARG A 374 4.401 -6.492 -4.273 1.00 0.19 N ATOM 734 CA ARG A 374 5.050 -6.622 -5.572 1.00 0.24 C ATOM 735 C ARG A 374 4.291 -5.847 -6.641 1.00 0.19 C ATOM 736 O ARG A 374 4.890 -5.183 -7.483 1.00 0.21 O ATOM 737 CB ARG A 374 5.158 -8.081 -5.974 1.00 0.33 C ATOM 738 CG ARG A 374 6.431 -8.735 -5.482 1.00 0.67 C ATOM 739 CD ARG A 374 6.149 -10.127 -4.989 1.00 0.92 C ATOM 740 NE ARG A 374 7.367 -10.863 -4.656 1.00 1.47 N ATOM 741 CZ ARG A 374 7.612 -12.114 -5.047 1.00 1.99 C ATOM 742 NH1 ARG A 374 6.704 -12.786 -5.746 1.00 2.45 N ATOM 743 NH2 ARG A 374 8.756 -12.701 -4.716 1.00 2.67 N ATOM 0 H ARG A 374 4.113 -7.378 -3.858 1.00 0.19 H new ATOM 0 HA ARG A 374 6.053 -6.204 -5.485 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.300 -8.626 -5.580 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.113 -8.158 -7.060 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.164 -8.769 -6.288 1.00 0.67 H new ATOM 0 HG3 ARG A 374 6.867 -8.140 -4.680 1.00 0.67 H new ATOM 0 HD2 ARG A 374 5.509 -10.074 -4.108 1.00 0.92 H new ATOM 0 HD3 ARG A 374 5.596 -10.674 -5.753 1.00 0.92 H new ATOM 0 HE ARG A 374 8.072 -10.391 -4.090 1.00 1.47 H new ATOM 0 HH11 ARG A 374 5.816 -12.345 -5.985 1.00 2.45 H new ATOM 0 HH12 ARG A 374 6.895 -13.743 -6.043 1.00 2.45 H new ATOM 0 HH21 ARG A 374 9.447 -12.195 -4.163 1.00 2.67 H new ATOM 0 HH22 ARG A 374 8.943 -13.658 -5.015 1.00 2.67 H new ATOM 757 N LEU A 375 2.966 -5.946 -6.600 1.00 0.17 N ATOM 758 CA LEU A 375 2.109 -5.219 -7.525 1.00 0.18 C ATOM 759 C LEU A 375 2.257 -3.716 -7.330 1.00 0.19 C ATOM 760 O LEU A 375 2.450 -2.973 -8.292 1.00 0.22 O ATOM 761 CB LEU A 375 0.642 -5.626 -7.336 1.00 0.18 C ATOM 762 CG LEU A 375 0.295 -7.052 -7.762 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.157 -7.361 -7.438 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.544 -7.233 -9.249 1.00 0.26 C ATOM 0 H LEU A 375 2.462 -6.527 -5.931 1.00 0.17 H new ATOM 0 HA LEU A 375 2.418 -5.473 -8.539 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.382 -5.506 -6.284 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.016 -4.934 -7.900 1.00 0.18 H new ATOM 0 HG LEU A 375 0.933 -7.743 -7.211 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.390 -8.380 -7.747 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.320 -7.261 -6.365 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.805 -6.664 -7.969 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.293 -8.253 -9.538 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.076 -6.534 -9.810 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.595 -7.042 -9.468 1.00 0.26 H new ATOM 776 N TRP A 376 2.171 -3.275 -6.081 1.00 0.18 N ATOM 777 CA TRP A 376 2.311 -1.863 -5.768 1.00 0.20 C ATOM 778 C TRP A 376 3.692 -1.364 -6.186 1.00 0.25 C ATOM 779 O TRP A 376 3.825 -0.272 -6.737 1.00 0.30 O ATOM 780 CB TRP A 376 2.067 -1.609 -4.278 1.00 0.20 C ATOM 781 CG TRP A 376 2.121 -0.158 -3.922 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.282 0.825 -4.365 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.061 0.476 -3.052 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.659 2.038 -3.837 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.746 1.849 -3.025 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.141 0.016 -2.297 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.475 2.764 -2.271 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.862 0.924 -1.545 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.528 2.283 -1.537 1.00 0.35 C ATOM 0 H TRP A 376 2.005 -3.874 -5.272 1.00 0.18 H new ATOM 0 HA TRP A 376 1.559 -1.308 -6.329 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.093 -2.011 -4.000 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.813 -2.150 -3.695 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.446 0.672 -5.031 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.204 2.932 -4.020 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.408 -1.030 -2.300 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.221 3.814 -2.264 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.697 0.579 -0.954 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.112 2.967 -0.940 1.00 0.35 H new ATOM 800 N GLY A 377 4.712 -2.181 -5.936 1.00 0.27 N ATOM 801 CA GLY A 377 6.049 -1.878 -6.415 1.00 0.33 C ATOM 802 C GLY A 377 6.083 -1.758 -7.924 1.00 0.38 C ATOM 803 O GLY A 377 6.640 -0.809 -8.467 1.00 0.41 O ATOM 0 H GLY A 377 4.635 -3.050 -5.408 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.395 -0.947 -5.967 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.737 -2.660 -6.095 1.00 0.33 H new ATOM 807 N ASN A 378 5.457 -2.721 -8.593 1.00 0.41 N ATOM 808 CA ASN A 378 5.354 -2.736 -10.052 1.00 0.50 C ATOM 809 C ASN A 378 4.779 -1.422 -10.585 1.00 0.51 C ATOM 810 O ASN A 378 5.219 -0.911 -11.615 1.00 0.62 O ATOM 811 CB ASN A 378 4.497 -3.933 -10.491 1.00 0.54 C ATOM 812 CG ASN A 378 3.992 -3.831 -11.919 1.00 0.72 C ATOM 813 OD1 ASN A 378 4.706 -4.165 -12.864 1.00 0.89 O ATOM 814 ND2 ASN A 378 2.739 -3.425 -12.082 1.00 1.06 N ATOM 0 H ASN A 378 5.005 -3.515 -8.140 1.00 0.41 H new ATOM 0 HA ASN A 378 6.354 -2.840 -10.473 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.083 -4.846 -10.387 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.644 -4.024 -9.819 1.00 0.54 H new ATOM 0 HD21 ASN A 378 2.335 -3.381 -13.017 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.180 -3.157 -11.272 1.00 1.06 H new ATOM 821 N HIS A 379 3.812 -0.873 -9.866 1.00 0.44 N ATOM 822 CA HIS A 379 3.206 0.402 -10.232 1.00 0.49 C ATOM 823 C HIS A 379 4.127 1.573 -9.881 1.00 0.53 C ATOM 824 O HIS A 379 4.265 2.521 -10.651 1.00 0.67 O ATOM 825 CB HIS A 379 1.860 0.550 -9.517 1.00 0.51 C ATOM 826 CG HIS A 379 1.163 1.852 -9.765 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.481 2.090 -10.931 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.062 2.940 -8.963 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.020 3.307 -10.813 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.306 3.863 -9.634 1.00 0.89 N ATOM 0 H HIS A 379 3.427 -1.292 -9.020 1.00 0.44 H new ATOM 0 HA HIS A 379 3.049 0.416 -11.310 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.205 -0.263 -9.831 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.018 0.436 -8.445 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.496 3.057 -7.981 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.617 3.794 -11.570 1.00 0.84 H new ATOM 0 HE2 HIS A 379 0.042 4.791 -9.304 1.00 0.89 H new ATOM 838 N LYS A 380 4.772 1.492 -8.727 1.00 0.47 N ATOM 839 CA LYS A 380 5.568 2.603 -8.217 1.00 0.55 C ATOM 840 C LYS A 380 7.020 2.532 -8.681 1.00 0.56 C ATOM 841 O LYS A 380 7.905 3.093 -8.038 1.00 0.70 O ATOM 842 CB LYS A 380 5.507 2.638 -6.688 1.00 0.62 C ATOM 843 CG LYS A 380 4.100 2.835 -6.147 1.00 0.79 C ATOM 844 CD LYS A 380 3.450 4.082 -6.726 1.00 0.75 C ATOM 845 CE LYS A 380 4.190 5.338 -6.309 1.00 0.84 C ATOM 846 NZ LYS A 380 4.126 5.565 -4.847 1.00 1.36 N ATOM 0 H LYS A 380 4.761 0.669 -8.124 1.00 0.47 H new ATOM 0 HA LYS A 380 5.140 3.521 -8.621 1.00 0.55 H new ATOM 0 HB2 LYS A 380 5.913 1.707 -6.294 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.145 3.443 -6.324 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.492 1.962 -6.385 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.134 2.912 -5.060 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.432 4.013 -7.814 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.414 4.141 -6.393 1.00 0.75 H new ATOM 0 HE2 LYS A 380 5.233 5.263 -6.618 1.00 0.84 H new ATOM 0 HE3 LYS A 380 3.765 6.197 -6.827 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.248 6.578 -4.647 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.203 5.250 -4.487 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 4.883 5.027 -4.379 1.00 1.36 H new ATOM 860 N ASN A 381 7.248 1.859 -9.810 1.00 0.52 N ATOM 861 CA ASN A 381 8.576 1.709 -10.390 1.00 0.60 C ATOM 862 C ASN A 381 9.561 1.114 -9.389 1.00 0.59 C ATOM 863 O ASN A 381 10.736 1.485 -9.359 1.00 0.76 O ATOM 864 CB ASN A 381 9.101 3.048 -10.892 1.00 0.76 C ATOM 865 CG ASN A 381 8.121 3.784 -11.776 1.00 1.50 C ATOM 866 OD1 ASN A 381 8.041 3.533 -12.977 1.00 2.30 O ATOM 867 ND2 ASN A 381 7.392 4.722 -11.196 1.00 2.17 N ATOM 0 H ASN A 381 6.511 1.402 -10.347 1.00 0.52 H new ATOM 0 HA ASN A 381 8.484 1.022 -11.231 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.350 3.676 -10.037 1.00 0.76 H new ATOM 0 HB3 ASN A 381 10.025 2.883 -11.446 1.00 0.76 H new ATOM 0 HD21 ASN A 381 6.732 5.270 -11.748 1.00 2.17 H new ATOM 0 HD22 ASN A 381 7.489 4.898 -10.196 1.00 2.17 H new ATOM 874 N ARG A 382 9.081 0.188 -8.577 1.00 0.49 N ATOM 875 CA ARG A 382 9.900 -0.439 -7.557 1.00 0.55 C ATOM 876 C ARG A 382 10.031 -1.931 -7.823 1.00 0.67 C ATOM 877 O ARG A 382 9.141 -2.560 -8.394 1.00 0.79 O ATOM 878 CB ARG A 382 9.306 -0.192 -6.169 1.00 0.51 C ATOM 879 CG ARG A 382 9.347 1.265 -5.759 1.00 0.70 C ATOM 880 CD ARG A 382 10.760 1.830 -5.808 1.00 1.09 C ATOM 881 NE ARG A 382 11.469 1.685 -4.534 1.00 1.88 N ATOM 882 CZ ARG A 382 12.790 1.511 -4.428 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.529 1.299 -5.511 1.00 2.40 N ATOM 884 NH2 ARG A 382 13.369 1.521 -3.233 1.00 3.26 N ATOM 0 H ARG A 382 8.118 -0.148 -8.606 1.00 0.49 H new ATOM 0 HA ARG A 382 10.895 0.005 -7.591 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.273 -0.539 -6.155 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.851 -0.786 -5.435 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.701 1.846 -6.418 1.00 0.70 H new ATOM 0 HG3 ARG A 382 8.949 1.369 -4.749 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.323 1.324 -6.592 1.00 1.09 H new ATOM 0 HD3 ARG A 382 10.716 2.885 -6.077 1.00 1.09 H new ATOM 0 HE ARG A 382 10.920 1.719 -3.675 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.089 1.268 -6.431 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.537 1.167 -5.423 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.806 1.662 -2.394 1.00 3.26 H new ATOM 0 HH22 ARG A 382 14.377 1.388 -3.154 1.00 3.26 H new ATOM 943 N THR A 386 8.441 -5.811 -0.753 1.00 0.33 N ATOM 944 CA THR A 386 7.802 -6.778 0.115 1.00 0.28 C ATOM 945 C THR A 386 6.700 -6.090 0.925 1.00 0.21 C ATOM 946 O THR A 386 6.723 -4.870 1.043 1.00 0.24 O ATOM 947 CB THR A 386 8.860 -7.396 1.041 1.00 0.33 C ATOM 948 OG1 THR A 386 9.820 -8.111 0.258 1.00 0.54 O ATOM 949 CG2 THR A 386 8.236 -8.308 2.066 1.00 0.26 C ATOM 0 HA THR A 386 7.346 -7.572 -0.477 1.00 0.28 H new ATOM 0 HB THR A 386 9.356 -6.589 1.581 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.021 -7.604 -0.556 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.015 -8.727 2.703 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.533 -7.742 2.677 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.708 -9.116 1.560 1.00 0.26 H new ATOM 957 N TYR A 387 5.724 -6.831 1.459 1.00 0.19 N ATOM 958 CA TYR A 387 4.594 -6.184 2.127 1.00 0.17 C ATOM 959 C TYR A 387 5.053 -5.308 3.282 1.00 0.16 C ATOM 960 O TYR A 387 4.580 -4.194 3.425 1.00 0.18 O ATOM 961 CB TYR A 387 3.560 -7.178 2.630 1.00 0.19 C ATOM 962 CG TYR A 387 2.276 -6.487 3.007 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.144 -5.841 4.228 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.199 -6.474 2.140 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.974 -5.202 4.570 1.00 0.24 C ATOM 966 CE2 TYR A 387 0.025 -5.847 2.479 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.081 -5.209 3.694 1.00 0.26 C ATOM 968 OH TYR A 387 -1.256 -4.594 4.040 1.00 0.30 O ATOM 0 H TYR A 387 5.693 -7.850 1.443 1.00 0.19 H new ATOM 0 HA TYR A 387 4.122 -5.561 1.367 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.362 -7.922 1.859 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.956 -7.712 3.494 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.972 -5.840 4.921 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.282 -6.964 1.181 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.887 -4.699 5.522 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.811 -5.855 1.795 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.870 -5.254 4.423 1.00 0.30 H new ATOM 978 N GLU A 388 5.977 -5.805 4.092 1.00 0.20 N ATOM 979 CA GLU A 388 6.519 -5.022 5.206 1.00 0.26 C ATOM 980 C GLU A 388 7.138 -3.718 4.709 1.00 0.25 C ATOM 981 O GLU A 388 7.228 -2.724 5.429 1.00 0.31 O ATOM 982 CB GLU A 388 7.560 -5.836 5.953 1.00 0.38 C ATOM 983 CG GLU A 388 6.988 -7.061 6.643 1.00 1.00 C ATOM 984 CD GLU A 388 5.761 -6.739 7.471 1.00 1.78 C ATOM 985 OE1 GLU A 388 5.908 -6.090 8.528 1.00 2.34 O ATOM 986 OE2 GLU A 388 4.648 -7.141 7.077 1.00 2.37 O ATOM 0 H GLU A 388 6.369 -6.742 4.004 1.00 0.20 H new ATOM 0 HA GLU A 388 5.699 -4.776 5.881 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.334 -6.151 5.253 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.041 -5.201 6.697 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.731 -7.809 5.894 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.751 -7.502 7.285 1.00 1.00 H new ATOM 993 N LYS A 389 7.587 -3.763 3.474 1.00 0.24 N ATOM 994 CA LYS A 389 8.128 -2.605 2.785 1.00 0.28 C ATOM 995 C LYS A 389 7.001 -1.724 2.211 1.00 0.26 C ATOM 996 O LYS A 389 7.141 -0.506 2.116 1.00 0.32 O ATOM 997 CB LYS A 389 9.086 -3.097 1.692 1.00 0.34 C ATOM 998 CG LYS A 389 10.242 -3.908 2.261 1.00 0.46 C ATOM 999 CD LYS A 389 11.052 -4.598 1.182 1.00 0.52 C ATOM 1000 CE LYS A 389 12.154 -5.443 1.797 1.00 0.72 C ATOM 1001 NZ LYS A 389 13.308 -4.627 2.257 1.00 1.62 N ATOM 0 H LYS A 389 7.588 -4.613 2.911 1.00 0.24 H new ATOM 0 HA LYS A 389 8.679 -1.977 3.486 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.535 -3.707 0.976 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.480 -2.241 1.145 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.894 -3.251 2.836 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.852 -4.655 2.952 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.399 -5.227 0.576 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.487 -3.854 0.515 1.00 0.52 H new ATOM 0 HE2 LYS A 389 11.750 -6.003 2.640 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.499 -6.173 1.065 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 14.032 -5.250 2.668 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 13.713 -4.112 1.449 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.988 -3.947 2.976 1.00 1.62 H new ATOM 1015 N MET A 390 5.885 -2.356 1.841 1.00 0.19 N ATOM 1016 CA MET A 390 4.712 -1.656 1.308 1.00 0.20 C ATOM 1017 C MET A 390 3.875 -1.039 2.437 1.00 0.20 C ATOM 1018 O MET A 390 3.325 0.057 2.295 1.00 0.22 O ATOM 1019 CB MET A 390 3.854 -2.628 0.487 1.00 0.18 C ATOM 1020 CG MET A 390 2.395 -2.656 0.908 1.00 0.23 C ATOM 1021 SD MET A 390 1.356 -3.621 -0.204 1.00 0.68 S ATOM 1022 CE MET A 390 -0.270 -3.135 0.365 1.00 1.18 C ATOM 0 H MET A 390 5.768 -3.367 1.902 1.00 0.19 H new ATOM 0 HA MET A 390 5.059 -0.848 0.665 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.914 -2.352 -0.566 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.269 -3.632 0.578 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.321 -3.069 1.914 1.00 0.23 H new ATOM 0 HG3 MET A 390 2.017 -1.635 0.954 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.845 -4.024 0.627 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.172 -2.495 1.242 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.785 -2.590 -0.426 1.00 1.18 H new ATOM 1032 N SER A 391 3.798 -1.758 3.561 1.00 0.20 N ATOM 1033 CA SER A 391 2.961 -1.382 4.697 1.00 0.21 C ATOM 1034 C SER A 391 3.364 -0.025 5.244 1.00 0.18 C ATOM 1035 O SER A 391 2.588 0.641 5.920 1.00 0.18 O ATOM 1036 CB SER A 391 3.053 -2.442 5.797 1.00 0.26 C ATOM 1037 OG SER A 391 4.394 -2.644 6.209 1.00 0.64 O ATOM 0 H SER A 391 4.319 -2.623 3.706 1.00 0.20 H new ATOM 0 HA SER A 391 1.929 -1.318 4.351 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.450 -2.135 6.652 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.637 -3.382 5.435 1.00 0.26 H new ATOM 0 HG SER A 391 4.421 -3.325 6.913 1.00 0.64 H new ATOM 1043 N ARG A 392 4.589 0.371 4.942 1.00 0.19 N ATOM 1044 CA ARG A 392 5.108 1.655 5.371 1.00 0.20 C ATOM 1045 C ARG A 392 4.227 2.784 4.841 1.00 0.19 C ATOM 1046 O ARG A 392 4.028 3.793 5.513 1.00 0.23 O ATOM 1047 CB ARG A 392 6.539 1.835 4.877 1.00 0.24 C ATOM 1048 CG ARG A 392 7.502 0.760 5.343 1.00 0.52 C ATOM 1049 CD ARG A 392 7.786 0.867 6.824 1.00 0.67 C ATOM 1050 NE ARG A 392 8.807 -0.086 7.254 1.00 1.31 N ATOM 1051 CZ ARG A 392 10.048 0.265 7.601 1.00 1.66 C ATOM 1052 NH1 ARG A 392 10.439 1.529 7.486 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.903 -0.651 8.043 1.00 2.48 N ATOM 0 H ARG A 392 5.247 -0.186 4.396 1.00 0.19 H new ATOM 0 HA ARG A 392 5.104 1.687 6.461 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.535 1.854 3.787 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.907 2.805 5.211 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.085 -0.223 5.123 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.436 0.842 4.787 1.00 0.52 H new ATOM 0 HD2 ARG A 392 8.113 1.880 7.058 1.00 0.67 H new ATOM 0 HD3 ARG A 392 6.867 0.691 7.383 1.00 0.67 H new ATOM 0 HE ARG A 392 8.558 -1.074 7.291 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.791 2.233 7.132 1.00 1.88 H new ATOM 0 HH12 ARG A 392 11.387 1.796 7.751 1.00 1.88 H new ATOM 0 HH21 ARG A 392 10.612 -1.626 8.118 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.850 -0.379 8.307 1.00 2.48 H new ATOM 1067 N ALA A 393 3.703 2.603 3.628 1.00 0.16 N ATOM 1068 CA ALA A 393 2.777 3.567 3.044 1.00 0.16 C ATOM 1069 C ALA A 393 1.395 3.452 3.687 1.00 0.16 C ATOM 1070 O ALA A 393 0.728 4.452 3.926 1.00 0.19 O ATOM 1071 CB ALA A 393 2.690 3.389 1.534 1.00 0.19 C ATOM 0 H ALA A 393 3.905 1.799 3.034 1.00 0.16 H new ATOM 0 HA ALA A 393 3.160 4.568 3.244 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.994 4.119 1.121 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.676 3.538 1.093 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.339 2.383 1.306 1.00 0.19 H new ATOM 1077 N LEU A 394 0.975 2.227 3.978 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.293 1.996 4.669 1.00 0.18 C ATOM 1079 C LEU A 394 -0.261 2.599 6.065 1.00 0.18 C ATOM 1080 O LEU A 394 -1.296 2.973 6.613 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.597 0.501 4.762 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.916 -0.178 3.435 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.869 -1.679 3.599 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.286 0.252 2.934 1.00 0.24 C ATOM 0 H LEU A 394 1.491 1.378 3.748 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.080 2.480 4.091 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.259 -0.001 5.212 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.441 0.359 5.437 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.169 0.122 2.700 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.098 -2.156 2.646 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.127 -1.978 3.925 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.602 -1.987 4.345 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.498 -0.242 1.986 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.045 -0.026 3.666 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.298 1.333 2.791 1.00 0.24 H new ATOM 1096 N ARG A 395 0.939 2.672 6.633 1.00 0.20 N ATOM 1097 CA ARG A 395 1.141 3.178 7.981 1.00 0.26 C ATOM 1098 C ARG A 395 0.528 4.566 8.159 1.00 0.21 C ATOM 1099 O ARG A 395 -0.069 4.853 9.197 1.00 0.22 O ATOM 1100 CB ARG A 395 2.633 3.221 8.310 1.00 0.36 C ATOM 1101 CG ARG A 395 2.917 3.174 9.799 1.00 0.94 C ATOM 1102 CD ARG A 395 2.488 1.843 10.387 1.00 0.94 C ATOM 1103 NE ARG A 395 2.484 1.860 11.846 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.287 0.781 12.601 1.00 1.91 C ATOM 1105 NH1 ARG A 395 2.126 -0.411 12.041 1.00 1.87 N ATOM 1106 NH2 ARG A 395 2.269 0.891 13.922 1.00 2.78 N ATOM 0 H ARG A 395 1.799 2.381 6.168 1.00 0.20 H new ATOM 0 HA ARG A 395 0.638 2.498 8.668 1.00 0.26 H new ATOM 0 HB2 ARG A 395 3.130 2.381 7.825 1.00 0.36 H new ATOM 0 HB3 ARG A 395 3.065 4.131 7.893 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.981 3.329 9.976 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.389 3.985 10.300 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.491 1.593 10.026 1.00 0.94 H new ATOM 0 HD3 ARG A 395 3.160 1.060 10.036 1.00 0.94 H new ATOM 0 HE ARG A 395 2.642 2.752 12.316 1.00 1.59 H new ATOM 0 HH11 ARG A 395 2.153 -0.505 11.026 1.00 1.87 H new ATOM 0 HH12 ARG A 395 1.976 -1.233 12.626 1.00 1.87 H new ATOM 0 HH21 ARG A 395 2.406 1.802 14.360 1.00 2.78 H new ATOM 0 HH22 ARG A 395 2.118 0.065 14.501 1.00 2.78 H new ATOM 1120 N HIS A 396 0.658 5.428 7.150 1.00 0.20 N ATOM 1121 CA HIS A 396 0.063 6.751 7.241 1.00 0.19 C ATOM 1122 C HIS A 396 -1.441 6.682 7.034 1.00 0.16 C ATOM 1123 O HIS A 396 -2.188 7.458 7.629 1.00 0.22 O ATOM 1124 CB HIS A 396 0.708 7.795 6.303 1.00 0.24 C ATOM 1125 CG HIS A 396 1.516 7.299 5.132 1.00 0.58 C ATOM 1126 ND1 HIS A 396 1.218 7.712 3.860 1.00 1.29 N ATOM 1127 CD2 HIS A 396 2.656 6.557 5.090 1.00 0.53 C ATOM 1128 CE1 HIS A 396 2.169 7.235 3.085 1.00 1.63 C ATOM 1129 NE2 HIS A 396 3.056 6.522 3.784 1.00 1.17 N ATOM 0 H HIS A 396 1.158 5.236 6.282 1.00 0.20 H new ATOM 0 HA HIS A 396 0.267 7.102 8.253 1.00 0.19 H new ATOM 0 HB2 HIS A 396 -0.088 8.429 5.913 1.00 0.24 H new ATOM 0 HB3 HIS A 396 1.354 8.431 6.908 1.00 0.24 H new ATOM 0 HD2 HIS A 396 3.149 6.086 5.928 1.00 0.53 H new ATOM 0 HE1 HIS A 396 2.225 7.399 2.019 1.00 1.63 H new ATOM 0 HE2 HIS A 396 3.876 6.042 3.413 1.00 1.17 H new ATOM 1137 N TYR A 397 -1.895 5.709 6.252 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.314 5.595 5.928 1.00 0.15 C ATOM 1139 C TYR A 397 -4.124 5.218 7.165 1.00 0.18 C ATOM 1140 O TYR A 397 -5.298 5.584 7.287 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.563 4.558 4.824 1.00 0.18 C ATOM 1142 CG TYR A 397 -2.934 4.894 3.486 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -1.928 5.846 3.371 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.347 4.247 2.333 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.357 6.141 2.156 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.781 4.536 1.114 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.784 5.487 1.028 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.229 5.800 -0.191 1.00 0.35 O ATOM 0 H TYR A 397 -1.305 4.991 5.832 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.636 6.571 5.566 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.181 3.593 5.158 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.638 4.445 4.686 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.588 6.365 4.255 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.127 3.503 2.393 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.576 6.884 2.090 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.115 4.020 0.226 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.303 6.095 -0.063 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.488 4.478 8.074 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.121 4.073 9.327 1.00 0.29 C ATOM 1160 C TYR A 398 -4.517 5.288 10.147 1.00 0.31 C ATOM 1161 O TYR A 398 -5.547 5.295 10.824 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.183 3.184 10.146 1.00 0.33 C ATOM 1163 CG TYR A 398 -2.914 1.848 9.502 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -3.961 1.069 9.039 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.619 1.372 9.344 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.731 -0.146 8.437 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.379 0.154 8.741 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.439 -0.602 8.288 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.207 -1.817 7.684 1.00 0.60 O ATOM 0 H TYR A 398 -2.530 4.146 7.964 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.018 3.506 9.078 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.237 3.705 10.294 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.616 3.023 11.133 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -4.976 1.422 9.153 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.788 1.964 9.698 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.560 -0.741 8.082 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.367 -0.205 8.625 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.243 -1.990 7.657 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.698 6.320 10.065 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.901 7.519 10.854 1.00 0.32 C ATOM 1181 C LYS A 399 -4.902 8.438 10.175 1.00 0.29 C ATOM 1182 O LYS A 399 -5.647 9.163 10.833 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.573 8.238 11.046 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.420 7.302 11.393 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.782 6.335 12.515 1.00 0.68 C ATOM 1186 CE LYS A 399 -2.093 7.063 13.816 1.00 1.31 C ATOM 1187 NZ LYS A 399 -2.491 6.124 14.897 1.00 1.98 N ATOM 0 H LYS A 399 -2.881 6.351 9.455 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.299 7.237 11.829 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.328 8.781 10.133 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.681 8.978 11.839 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.134 6.736 10.506 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.552 7.891 11.689 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.645 5.740 12.217 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.957 5.641 12.676 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.218 7.630 14.132 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.895 7.782 13.647 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -2.694 6.660 15.765 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -3.341 5.601 14.606 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -1.717 5.454 15.077 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.924 8.373 8.853 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.826 9.182 8.048 1.00 0.23 C ATOM 1203 C LEU A 400 -7.231 8.617 8.075 1.00 0.22 C ATOM 1204 O LEU A 400 -8.162 9.222 7.551 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.341 9.202 6.612 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.887 9.582 6.444 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.328 8.963 5.189 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.746 11.080 6.395 1.00 0.36 C ATOM 0 H LEU A 400 -4.318 7.759 8.308 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.840 10.190 8.462 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.498 8.216 6.176 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.954 9.903 6.045 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.324 9.205 7.298 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.281 9.244 5.080 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.408 7.878 5.252 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.891 9.319 4.326 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.695 11.343 6.274 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.317 11.472 5.554 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.123 11.511 7.322 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.357 7.435 8.672 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.624 6.722 8.736 1.00 0.24 C ATOM 1222 C ASN A 401 -9.119 6.409 7.329 1.00 0.19 C ATOM 1223 O ASN A 401 -10.309 6.490 7.036 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.663 7.524 9.529 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.457 7.418 11.033 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.046 6.562 11.696 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.605 8.273 11.583 1.00 1.24 N ATOM 0 H ASN A 401 -6.583 6.947 9.124 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.470 5.779 9.261 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -9.613 8.571 9.232 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -10.662 7.168 9.276 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.420 8.235 12.585 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.135 8.969 11.004 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.176 6.100 6.447 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.492 5.634 5.104 1.00 0.13 C ATOM 1236 C ILE A 402 -8.667 4.133 5.130 1.00 0.13 C ATOM 1237 O ILE A 402 -9.652 3.589 4.637 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.359 5.982 4.115 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.210 7.501 4.023 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.614 5.364 2.738 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.946 7.940 3.322 1.00 0.14 C ATOM 0 H ILE A 402 -7.177 6.165 6.642 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.408 6.125 4.776 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.426 5.559 4.486 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.071 7.911 3.495 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.223 7.921 5.029 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.799 5.627 2.064 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.672 4.280 2.831 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.553 5.744 2.337 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.906 9.029 3.293 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.079 7.559 3.862 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.940 7.549 2.304 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.699 3.484 5.737 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.665 2.047 5.810 1.00 0.14 C ATOM 1255 C ILE A 403 -7.454 1.618 7.248 1.00 0.17 C ATOM 1256 O ILE A 403 -6.512 2.058 7.899 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.530 1.490 4.926 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.825 1.767 3.452 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.340 0.003 5.167 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.654 1.502 2.535 1.00 0.20 C ATOM 0 H ILE A 403 -6.912 3.943 6.195 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.614 1.652 5.447 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.602 1.995 5.195 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.667 1.151 3.138 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.132 2.807 3.342 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.535 -0.368 4.533 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.086 -0.166 6.213 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.263 -0.525 4.928 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -5.940 1.721 1.506 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.816 2.138 2.822 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.359 0.456 2.614 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.352 0.793 7.747 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.208 0.235 9.079 1.00 0.18 C ATOM 1274 C ARG A 404 -8.251 -1.274 8.987 1.00 0.20 C ATOM 1275 O ARG A 404 -8.777 -1.820 8.023 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.321 0.730 10.005 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.684 0.158 9.700 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.494 0.007 10.972 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.819 -0.573 10.739 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.795 -0.585 11.649 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.648 0.070 12.792 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.931 -1.227 11.409 1.00 2.08 N ATOM 0 H ARG A 404 -9.191 0.493 7.250 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.254 0.558 9.496 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -9.058 0.483 11.034 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.374 1.817 9.942 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.210 0.809 9.002 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.577 -0.811 9.213 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.946 -0.622 11.673 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.608 0.984 11.442 1.00 0.76 H new ATOM 0 HE ARG A 404 -13.006 -0.992 9.828 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.787 0.585 12.978 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.396 0.059 13.486 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -15.063 -1.716 10.524 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.672 -1.231 12.110 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.700 -1.939 9.982 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.722 -3.389 10.016 1.00 0.26 C ATOM 1298 C LYS A 405 -8.996 -3.868 10.686 1.00 0.27 C ATOM 1299 O LYS A 405 -9.452 -3.268 11.662 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.508 -3.938 10.764 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.185 -3.629 10.089 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.032 -4.333 10.784 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.951 -3.969 12.259 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.864 -4.709 12.951 1.00 1.73 N ATOM 0 H LYS A 405 -7.233 -1.501 10.776 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.688 -3.756 8.990 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.496 -3.525 11.773 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.612 -5.019 10.863 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.226 -3.939 9.045 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.014 -2.553 10.096 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -4.151 -5.412 10.682 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -3.096 -4.068 10.293 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.782 -2.897 12.360 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -4.904 -4.189 12.740 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.841 -4.434 13.954 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -3.038 -5.732 12.876 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.951 -4.480 12.508 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.577 -4.926 10.153 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.774 -5.496 10.726 1.00 0.27 C ATOM 1320 C GLU A 406 -10.473 -6.210 12.032 1.00 0.29 C ATOM 1321 O GLU A 406 -9.477 -6.925 12.164 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.450 -6.432 9.735 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.412 -5.705 8.821 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.657 -5.237 9.540 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.535 -6.076 9.822 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.774 -4.023 9.823 1.00 0.81 O ATOM 0 H GLU A 406 -9.235 -5.407 9.321 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.462 -4.680 10.948 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.690 -6.932 9.135 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -11.987 -7.208 10.280 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.908 -4.846 8.379 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.697 -6.364 8.001 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.362 -5.996 13.005 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.235 -6.494 14.380 1.00 0.38 C ATOM 1335 C PRO A 407 -10.957 -7.990 14.466 1.00 0.41 C ATOM 1336 O PRO A 407 -11.804 -8.817 14.117 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.609 -6.164 14.992 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.494 -5.895 13.825 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.598 -5.236 12.832 1.00 0.45 C ATOM 0 HA PRO A 407 -10.388 -6.039 14.893 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.985 -6.994 15.590 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.550 -5.298 15.651 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.920 -6.816 13.427 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.329 -5.250 14.098 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.986 -5.310 11.816 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.461 -4.176 13.044 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.760 -8.325 14.936 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.401 -9.709 15.177 1.00 0.60 C ATOM 1349 C GLY A 408 -9.199 -10.507 13.907 1.00 0.56 C ATOM 1350 O GLY A 408 -9.314 -11.732 13.919 1.00 0.66 O ATOM 0 H GLY A 408 -9.025 -7.653 15.156 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.485 -9.742 15.767 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.182 -10.181 15.773 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.902 -9.830 12.805 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.681 -10.518 11.541 1.00 0.52 C ATOM 1356 C GLN A 409 -7.249 -10.308 11.059 1.00 0.48 C ATOM 1357 O GLN A 409 -6.516 -9.493 11.621 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.680 -10.051 10.478 1.00 0.67 C ATOM 1359 CG GLN A 409 -11.127 -10.098 10.949 1.00 0.77 C ATOM 1360 CD GLN A 409 -12.129 -9.902 9.827 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -11.907 -10.326 8.698 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -13.223 -9.224 10.127 1.00 1.10 N ATOM 0 H GLN A 409 -8.809 -8.815 12.761 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.838 -11.584 11.706 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.435 -9.031 10.182 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.574 -10.675 9.591 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.314 -11.058 11.431 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.282 -9.327 11.704 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -13.370 -8.888 11.079 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.920 -9.036 9.407 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.857 -11.052 10.029 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.490 -10.978 9.498 1.00 0.41 C ATOM 1373 C ARG A 410 -5.268 -9.698 8.688 1.00 0.34 C ATOM 1374 O ARG A 410 -5.340 -8.592 9.223 1.00 0.49 O ATOM 1375 CB ARG A 410 -5.137 -12.218 8.649 1.00 0.45 C ATOM 1376 CG ARG A 410 -6.289 -13.182 8.367 1.00 0.57 C ATOM 1377 CD ARG A 410 -7.294 -12.636 7.350 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.691 -12.399 6.033 1.00 0.96 N ATOM 1379 CZ ARG A 410 -6.160 -13.362 5.265 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -6.310 -14.639 5.597 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.518 -13.048 4.143 1.00 2.29 N ATOM 0 H ARG A 410 -7.462 -11.714 9.543 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.821 -10.957 10.359 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.731 -11.879 7.696 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.344 -12.768 9.156 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.884 -14.125 7.999 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.808 -13.401 9.300 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -8.119 -13.340 7.246 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.716 -11.704 7.726 1.00 0.62 H new ATOM 0 HE ARG A 410 -6.675 -11.442 5.680 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.830 -14.890 6.438 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.905 -15.369 5.011 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -5.428 -12.071 3.863 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -5.116 -13.784 3.562 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.009 -9.845 7.393 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.827 -8.694 6.514 1.00 0.15 C ATOM 1397 C LEU A 411 -6.172 -8.211 5.988 1.00 0.11 C ATOM 1398 O LEU A 411 -6.282 -7.734 4.856 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.872 -9.004 5.358 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.399 -9.144 5.754 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.899 -10.557 5.497 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.556 -8.138 4.988 1.00 0.16 C ATOM 0 H LEU A 411 -4.920 -10.749 6.928 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.373 -7.897 7.103 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.193 -9.929 4.879 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.959 -8.213 4.613 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.309 -8.943 6.821 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.851 -10.630 5.786 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.487 -11.263 6.083 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.000 -10.792 4.437 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.510 -8.245 5.276 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.658 -8.318 3.918 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.895 -7.128 5.220 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.203 -8.400 6.798 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.520 -7.896 6.480 1.00 0.10 C ATOM 1416 C LEU A 412 -8.623 -6.451 6.894 1.00 0.09 C ATOM 1417 O LEU A 412 -8.415 -6.109 8.055 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.597 -8.704 7.182 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.715 -9.176 6.278 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.056 -8.101 5.286 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.306 -10.458 5.588 1.00 0.15 C ATOM 0 H LEU A 412 -7.147 -8.902 7.684 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.670 -7.984 5.404 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.135 -9.572 7.651 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.024 -8.099 7.982 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.607 -9.381 6.870 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.861 -8.446 4.638 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.376 -7.204 5.817 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.178 -7.871 4.683 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.113 -10.795 4.938 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.410 -10.281 4.992 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.099 -11.224 6.336 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.941 -5.611 5.939 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.953 -4.178 6.165 1.00 0.10 C ATOM 1435 C PHE A 413 -10.284 -3.591 5.726 1.00 0.09 C ATOM 1436 O PHE A 413 -11.153 -4.298 5.214 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.821 -3.474 5.399 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.438 -4.052 5.578 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.098 -4.796 6.693 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.477 -3.843 4.607 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.829 -5.323 6.835 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.209 -4.363 4.744 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.883 -5.105 5.860 1.00 0.14 C ATOM 0 H PHE A 413 -9.197 -5.892 4.992 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.804 -4.015 7.233 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.064 -3.490 4.337 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.798 -2.428 5.706 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.835 -4.967 7.464 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.724 -3.264 3.729 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.580 -5.905 7.710 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.469 -4.190 3.977 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.889 -5.513 5.968 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.426 -2.294 5.917 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.629 -1.582 5.534 1.00 0.10 C ATOM 1455 C ARG A 414 -11.277 -0.230 4.929 1.00 0.09 C ATOM 1456 O ARG A 414 -10.572 0.567 5.555 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.527 -1.375 6.753 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.709 -0.452 6.493 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.600 -0.326 7.714 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.648 0.675 7.526 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.940 0.473 7.794 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.351 -0.698 8.260 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.820 1.446 7.602 1.00 2.09 N ATOM 0 H ARG A 414 -9.711 -1.704 6.342 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.159 -2.178 4.791 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.900 -2.343 7.087 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.930 -0.965 7.568 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.345 0.534 6.205 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.292 -0.834 5.655 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -15.056 -1.292 7.931 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.994 -0.058 8.579 1.00 0.35 H new ATOM 0 HE ARG A 414 -15.374 1.589 7.166 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.679 -1.449 8.415 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -18.339 -0.848 8.463 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -17.510 2.351 7.249 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.807 1.289 7.808 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.755 0.017 3.716 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.633 1.332 3.102 1.00 0.11 C ATOM 1479 C PHE A 415 -12.681 2.266 3.679 1.00 0.12 C ATOM 1480 O PHE A 415 -13.811 2.318 3.197 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.798 1.269 1.584 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.520 1.027 0.833 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.579 2.036 0.714 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.264 -0.196 0.235 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.408 1.833 0.017 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.090 -0.409 -0.464 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.161 0.609 -0.573 1.00 0.21 C ATOM 0 H PHE A 415 -12.231 -0.676 3.138 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.632 1.705 3.319 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.505 0.476 1.340 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.237 2.205 1.239 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.766 2.995 1.174 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.989 -0.992 0.316 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.684 2.630 -0.068 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.899 -1.368 -0.923 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.243 0.447 -1.119 1.00 0.21 H new ATOM 1497 N MET A 416 -12.304 2.996 4.708 1.00 0.14 N ATOM 1498 CA MET A 416 -13.228 3.887 5.391 1.00 0.17 C ATOM 1499 C MET A 416 -13.674 5.014 4.465 1.00 0.20 C ATOM 1500 O MET A 416 -14.790 5.522 4.582 1.00 0.29 O ATOM 1501 CB MET A 416 -12.583 4.446 6.655 1.00 0.23 C ATOM 1502 CG MET A 416 -12.177 3.367 7.646 1.00 0.30 C ATOM 1503 SD MET A 416 -11.341 4.028 9.098 1.00 1.30 S ATOM 1504 CE MET A 416 -12.604 5.129 9.727 1.00 1.23 C ATOM 0 H MET A 416 -11.360 2.992 5.094 1.00 0.14 H new ATOM 0 HA MET A 416 -14.113 3.318 5.677 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.703 5.027 6.380 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.279 5.131 7.138 1.00 0.23 H new ATOM 0 HG2 MET A 416 -13.064 2.819 7.962 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.521 2.652 7.149 1.00 0.30 H new ATOM 0 HE1 MET A 416 -12.372 5.398 10.757 1.00 1.23 H new ATOM 0 HE2 MET A 416 -12.639 6.030 9.115 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.572 4.630 9.692 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.800 5.393 3.543 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.131 6.372 2.525 1.00 0.21 C ATOM 1516 C LYS A 417 -12.416 6.045 1.224 1.00 0.22 C ATOM 1517 O LYS A 417 -11.427 5.311 1.216 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.783 7.787 2.985 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.375 7.945 3.527 1.00 0.18 C ATOM 1520 CD LYS A 417 -11.058 9.407 3.796 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.988 9.577 4.860 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.466 9.154 6.204 1.00 0.61 N ATOM 0 H LYS A 417 -11.848 5.031 3.482 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.207 6.330 2.354 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.914 8.471 2.146 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.491 8.089 3.756 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.269 7.370 4.447 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.659 7.539 2.813 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.727 9.881 2.872 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.966 9.922 4.111 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.109 8.992 4.587 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.677 10.621 4.898 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.808 9.500 6.931 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.412 9.550 6.376 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.513 8.116 6.245 1.00 0.61 H new ATOM 1536 N THR A 418 -12.927 6.587 0.133 1.00 0.24 N ATOM 1537 CA THR A 418 -12.405 6.296 -1.195 1.00 0.26 C ATOM 1538 C THR A 418 -11.541 7.447 -1.714 1.00 0.23 C ATOM 1539 O THR A 418 -11.542 8.527 -1.126 1.00 0.21 O ATOM 1540 CB THR A 418 -13.560 6.035 -2.182 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.503 7.118 -2.138 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.261 4.725 -1.859 1.00 0.40 C ATOM 0 H THR A 418 -13.712 7.239 0.139 1.00 0.24 H new ATOM 0 HA THR A 418 -11.785 5.403 -1.118 1.00 0.26 H new ATOM 0 HB THR A 418 -13.142 5.965 -3.186 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.847 7.216 -1.225 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.072 4.562 -2.568 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.548 3.904 -1.928 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.666 4.769 -0.848 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.793 7.219 -2.819 1.00 0.24 N ATOM 1551 CA PRO A 419 -9.931 8.230 -3.451 1.00 0.24 C ATOM 1552 C PRO A 419 -10.552 9.621 -3.464 1.00 0.28 C ATOM 1553 O PRO A 419 -9.937 10.591 -3.022 1.00 0.28 O ATOM 1554 CB PRO A 419 -9.813 7.707 -4.875 1.00 0.29 C ATOM 1555 CG PRO A 419 -9.830 6.226 -4.723 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.722 5.934 -3.545 1.00 0.28 C ATOM 0 HA PRO A 419 -8.987 8.351 -2.920 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.639 8.053 -5.496 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -8.893 8.048 -5.350 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.208 5.746 -5.626 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -8.824 5.841 -4.555 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.710 5.602 -3.865 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.308 5.144 -2.918 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.782 9.686 -3.956 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.533 10.940 -4.059 1.00 0.43 C ATOM 1566 C ASP A 420 -12.567 11.682 -2.725 1.00 0.40 C ATOM 1567 O ASP A 420 -12.341 12.890 -2.663 1.00 0.44 O ATOM 1568 CB ASP A 420 -13.964 10.640 -4.522 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.869 11.858 -4.502 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.865 12.623 -5.490 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.616 12.034 -3.516 1.00 0.85 O ATOM 0 H ASP A 420 -12.292 8.871 -4.297 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.032 11.580 -4.785 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -13.934 10.235 -5.533 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.391 9.868 -3.882 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.831 10.941 -1.666 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.964 11.506 -0.332 1.00 0.35 C ATOM 1578 C GLU A 421 -11.607 11.880 0.265 1.00 0.32 C ATOM 1579 O GLU A 421 -11.497 12.815 1.059 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.671 10.495 0.556 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.083 10.210 0.097 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.668 8.989 0.763 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.330 7.866 0.337 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.480 9.151 1.700 1.00 0.51 O ATOM 0 H GLU A 421 -12.960 9.930 -1.704 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.547 12.424 -0.398 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.102 9.566 0.568 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.693 10.868 1.580 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.713 11.074 0.310 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.090 10.069 -0.984 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.578 11.145 -0.127 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.241 11.325 0.430 1.00 0.24 C ATOM 1593 C ILE A 422 -8.562 12.573 -0.134 1.00 0.29 C ATOM 1594 O ILE A 422 -7.760 13.219 0.549 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.364 10.087 0.150 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.066 8.828 0.659 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.999 10.236 0.809 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.414 7.543 0.208 1.00 0.18 C ATOM 0 H ILE A 422 -10.642 10.412 -0.834 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.353 11.451 1.507 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.215 10.000 -0.926 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.088 8.851 1.749 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.102 8.838 0.319 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.396 9.353 0.600 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.498 11.120 0.413 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.125 10.343 1.886 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.968 6.694 0.608 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.416 7.497 -0.881 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.387 7.509 0.571 1.00 0.18 H new ATOM 1610 N MET A 423 -8.915 12.929 -1.365 1.00 0.36 N ATOM 1611 CA MET A 423 -8.303 14.063 -2.061 1.00 0.46 C ATOM 1612 C MET A 423 -8.725 15.408 -1.460 1.00 0.55 C ATOM 1613 O MET A 423 -8.452 16.464 -2.031 1.00 0.71 O ATOM 1614 CB MET A 423 -8.670 14.014 -3.545 1.00 0.56 C ATOM 1615 CG MET A 423 -8.162 12.766 -4.250 1.00 0.59 C ATOM 1616 SD MET A 423 -8.627 12.701 -5.995 1.00 0.83 S ATOM 1617 CE MET A 423 -7.827 11.178 -6.499 1.00 1.83 C ATOM 0 H MET A 423 -9.629 12.445 -1.909 1.00 0.36 H new ATOM 0 HA MET A 423 -7.223 13.980 -1.942 1.00 0.46 H new ATOM 0 HB2 MET A 423 -9.754 14.064 -3.646 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.263 14.895 -4.042 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.076 12.726 -4.168 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.553 11.884 -3.742 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.021 10.998 -7.556 1.00 1.83 H new ATOM 0 HE2 MET A 423 -6.752 11.260 -6.336 1.00 1.83 H new ATOM 0 HE3 MET A 423 -8.220 10.349 -5.911 1.00 1.83 H new ATOM 1627 N SER A 424 -9.376 15.362 -0.303 1.00 0.60 N ATOM 1628 CA SER A 424 -9.825 16.541 0.389 1.00 0.72 C ATOM 1629 C SER A 424 -8.698 17.207 1.191 1.00 0.74 C ATOM 1630 O SER A 424 -8.956 18.050 2.051 1.00 0.94 O ATOM 1631 CB SER A 424 -10.960 16.131 1.312 1.00 1.07 C ATOM 1632 OG SER A 424 -11.965 15.428 0.597 1.00 1.70 O ATOM 0 H SER A 424 -9.604 14.491 0.177 1.00 0.60 H new ATOM 0 HA SER A 424 -10.161 17.278 -0.341 1.00 0.72 H new ATOM 0 HB2 SER A 424 -10.573 15.504 2.115 1.00 1.07 H new ATOM 0 HB3 SER A 424 -11.392 17.016 1.779 1.00 1.07 H new ATOM 0 HG SER A 424 -11.835 14.464 0.713 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.450 16.819 0.932 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.336 17.481 1.588 1.00 1.23 C ATOM 1640 C GLY A 425 -5.328 16.522 2.188 1.00 0.79 C ATOM 1641 O GLY A 425 -4.132 16.813 2.210 1.00 1.10 O ATOM 0 H GLY A 425 -7.194 16.069 0.289 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -5.830 18.123 0.867 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -6.722 18.129 2.375 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.801 15.375 2.670 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.917 14.386 3.294 1.00 0.47 C ATOM 1647 C ARG A 426 -3.902 13.855 2.293 1.00 0.40 C ATOM 1648 O ARG A 426 -2.812 13.416 2.663 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.716 13.213 3.871 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.551 13.561 5.086 1.00 1.03 C ATOM 1651 CD ARG A 426 -5.730 14.254 6.159 1.00 1.41 C ATOM 1652 NE ARG A 426 -6.479 14.401 7.405 1.00 1.79 N ATOM 1653 CZ ARG A 426 -5.987 14.939 8.518 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -4.776 15.479 8.525 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -6.727 14.957 9.616 1.00 2.85 N ATOM 0 H ARG A 426 -6.784 15.106 2.642 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.392 14.891 4.105 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.373 12.820 3.095 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -5.024 12.414 4.138 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.376 14.207 4.786 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.991 12.652 5.496 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -4.821 13.683 6.347 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -5.421 15.237 5.802 1.00 1.41 H new ATOM 0 HE ARG A 426 -7.443 14.069 7.423 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -4.215 15.484 7.673 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -4.406 15.890 9.382 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -7.667 14.560 9.604 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -6.357 15.368 10.473 1.00 2.85 H new ATOM 1669 N THR A 427 -4.267 13.920 1.025 1.00 0.36 N ATOM 1670 CA THR A 427 -3.449 13.398 -0.053 1.00 0.33 C ATOM 1671 C THR A 427 -2.117 14.134 -0.186 1.00 0.37 C ATOM 1672 O THR A 427 -1.160 13.584 -0.719 1.00 0.38 O ATOM 1673 CB THR A 427 -4.216 13.478 -1.377 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.914 14.731 -1.453 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.210 12.338 -1.495 1.00 0.33 C ATOM 0 H THR A 427 -5.143 14.339 0.714 1.00 0.36 H new ATOM 0 HA THR A 427 -3.225 12.359 0.189 1.00 0.33 H new ATOM 0 HB THR A 427 -3.501 13.401 -2.196 1.00 0.35 H new ATOM 0 HG1 THR A 427 -5.270 14.853 -2.358 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.742 12.416 -2.443 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.679 11.387 -1.454 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.924 12.391 -0.673 1.00 0.33 H new ATOM 1683 N ASP A 428 -2.053 15.364 0.318 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.845 16.182 0.201 1.00 0.54 C ATOM 1685 C ASP A 428 0.373 15.506 0.814 1.00 0.55 C ATOM 1686 O ASP A 428 1.452 15.492 0.222 1.00 0.59 O ATOM 1687 CB ASP A 428 -1.051 17.536 0.838 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.560 18.566 -0.145 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -2.790 18.648 -0.336 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.737 19.303 -0.727 1.00 1.76 O ATOM 0 H ASP A 428 -2.822 15.817 0.811 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.655 16.308 -0.865 1.00 0.54 H new ATOM 0 HB2 ASP A 428 -1.759 17.443 1.661 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -0.109 17.880 1.265 1.00 0.67 H new ATOM 1695 N ARG A 429 0.191 14.941 1.994 1.00 0.54 N ATOM 1696 CA ARG A 429 1.279 14.270 2.693 1.00 0.58 C ATOM 1697 C ARG A 429 1.556 12.914 2.067 1.00 0.45 C ATOM 1698 O ARG A 429 2.673 12.428 2.104 1.00 0.46 O ATOM 1699 CB ARG A 429 0.942 14.118 4.179 1.00 0.72 C ATOM 1700 CG ARG A 429 2.051 13.473 5.002 1.00 0.88 C ATOM 1701 CD ARG A 429 1.839 13.698 6.490 1.00 1.22 C ATOM 1702 NE ARG A 429 1.884 15.119 6.828 1.00 1.86 N ATOM 1703 CZ ARG A 429 1.705 15.606 8.055 1.00 2.48 C ATOM 1704 NH1 ARG A 429 1.489 14.785 9.077 1.00 2.68 N ATOM 1705 NH2 ARG A 429 1.750 16.918 8.259 1.00 3.43 N ATOM 0 H ARG A 429 -0.700 14.932 2.491 1.00 0.54 H new ATOM 0 HA ARG A 429 2.178 14.879 2.603 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.721 15.102 4.594 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.036 13.520 4.277 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.085 12.403 4.795 1.00 0.88 H new ATOM 0 HG3 ARG A 429 3.015 13.886 4.704 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.877 13.282 6.789 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.605 13.165 7.053 1.00 1.22 H new ATOM 0 HE ARG A 429 2.064 15.782 6.074 1.00 1.86 H new ATOM 0 HH11 ARG A 429 1.460 13.777 8.924 1.00 2.68 H new ATOM 0 HH12 ARG A 429 1.353 15.163 10.015 1.00 2.68 H new ATOM 0 HH21 ARG A 429 1.921 17.550 7.477 1.00 3.43 H new ATOM 0 HH22 ARG A 429 1.613 17.293 9.198 1.00 3.43 H new ATOM 1719 N LEU A 430 0.535 12.326 1.472 1.00 0.38 N ATOM 1720 CA LEU A 430 0.637 11.005 0.879 1.00 0.32 C ATOM 1721 C LEU A 430 1.375 11.071 -0.449 1.00 0.30 C ATOM 1722 O LEU A 430 2.275 10.277 -0.716 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.757 10.449 0.680 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.625 10.474 1.929 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -3.038 10.038 1.588 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -1.025 9.590 3.010 1.00 0.61 C ATOM 0 H LEU A 430 -0.389 12.750 1.386 1.00 0.38 H new ATOM 0 HA LEU A 430 1.201 10.351 1.544 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.254 11.019 -0.105 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.678 9.421 0.327 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.664 11.493 2.314 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.652 10.059 2.488 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.459 10.716 0.846 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -3.019 9.025 1.185 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.658 9.619 3.897 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.958 8.565 2.646 1.00 0.61 H new ATOM 0 HD23 LEU A 430 -0.028 9.951 3.264 1.00 0.61 H new ATOM 1738 N GLU A 431 0.976 12.040 -1.268 1.00 0.31 N ATOM 1739 CA GLU A 431 1.636 12.322 -2.535 1.00 0.35 C ATOM 1740 C GLU A 431 3.114 12.570 -2.317 1.00 0.39 C ATOM 1741 O GLU A 431 3.956 12.225 -3.147 1.00 0.44 O ATOM 1742 CB GLU A 431 1.002 13.549 -3.168 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.267 13.239 -3.925 1.00 0.50 C ATOM 1744 CD GLU A 431 0.014 12.775 -5.334 1.00 1.35 C ATOM 1745 OE1 GLU A 431 0.865 13.379 -6.007 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.625 11.795 -5.778 1.00 2.30 O ATOM 0 H GLU A 431 0.184 12.652 -1.070 1.00 0.31 H new ATOM 0 HA GLU A 431 1.520 11.463 -3.195 1.00 0.35 H new ATOM 0 HB2 GLU A 431 0.784 14.280 -2.389 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.719 14.011 -3.847 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.827 12.469 -3.394 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.898 14.128 -3.955 1.00 0.50 H new ATOM 1753 N HIS A 432 3.406 13.181 -1.184 1.00 0.39 N ATOM 1754 CA HIS A 432 4.767 13.483 -0.797 1.00 0.45 C ATOM 1755 C HIS A 432 5.430 12.243 -0.204 1.00 0.44 C ATOM 1756 O HIS A 432 6.558 11.903 -0.558 1.00 0.52 O ATOM 1757 CB HIS A 432 4.756 14.629 0.223 1.00 0.50 C ATOM 1758 CG HIS A 432 6.022 15.429 0.255 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.337 16.369 -0.697 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.053 15.427 1.127 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.505 16.908 -0.413 1.00 0.91 C ATOM 1762 NE2 HIS A 432 7.967 16.354 0.691 1.00 0.77 N ATOM 0 H HIS A 432 2.704 13.481 -0.507 1.00 0.39 H new ATOM 0 HA HIS A 432 5.339 13.789 -1.673 1.00 0.45 H new ATOM 0 HB2 HIS A 432 3.923 15.295 -0.003 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.574 14.217 1.215 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.142 14.808 2.008 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.001 17.676 -0.988 1.00 0.91 H new ATOM 0 HE2 HIS A 432 8.853 16.577 1.144 1.00 0.77 H new ATOM 1771 N LEU A 433 4.703 11.562 0.678 1.00 0.39 N ATOM 1772 CA LEU A 433 5.232 10.428 1.426 1.00 0.40 C ATOM 1773 C LEU A 433 5.574 9.270 0.521 1.00 0.36 C ATOM 1774 O LEU A 433 6.565 8.605 0.749 1.00 0.35 O ATOM 1775 CB LEU A 433 4.222 9.940 2.461 1.00 0.53 C ATOM 1776 CG LEU A 433 4.806 9.316 3.742 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.633 8.071 3.456 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.653 10.321 4.475 1.00 0.73 C ATOM 0 H LEU A 433 3.731 11.782 0.893 1.00 0.39 H new ATOM 0 HA LEU A 433 6.138 10.779 1.920 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.591 10.782 2.747 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.574 9.203 1.986 1.00 0.53 H new ATOM 0 HG LEU A 433 3.960 9.019 4.362 1.00 0.43 H new ATOM 0 HD11 LEU A 433 6.022 7.670 4.392 1.00 0.91 H new ATOM 0 HD12 LEU A 433 5.007 7.321 2.972 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.464 8.329 2.799 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.059 9.865 5.378 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.472 10.644 3.832 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.043 11.182 4.746 1.00 0.73 H new ATOM 1790 N GLU A 434 4.750 9.011 -0.484 1.00 0.40 N ATOM 1791 CA GLU A 434 4.949 7.832 -1.324 1.00 0.45 C ATOM 1792 C GLU A 434 6.387 7.688 -1.778 1.00 0.45 C ATOM 1793 O GLU A 434 6.998 6.653 -1.563 1.00 0.56 O ATOM 1794 CB GLU A 434 4.037 7.823 -2.530 1.00 0.66 C ATOM 1795 CG GLU A 434 2.656 7.296 -2.222 1.00 0.80 C ATOM 1796 CD GLU A 434 1.908 6.910 -3.478 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.617 7.793 -4.306 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.682 5.699 -3.677 1.00 1.47 O ATOM 0 H GLU A 434 3.949 9.589 -0.738 1.00 0.40 H new ATOM 0 HA GLU A 434 4.696 6.980 -0.693 1.00 0.45 H new ATOM 0 HB2 GLU A 434 3.954 8.836 -2.923 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.486 7.213 -3.314 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.736 6.429 -1.566 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.090 8.054 -1.681 1.00 0.80 H new ATOM 1805 N SER A 435 6.944 8.726 -2.361 1.00 0.46 N ATOM 1806 CA SER A 435 8.309 8.676 -2.815 1.00 0.53 C ATOM 1807 C SER A 435 9.261 8.610 -1.622 1.00 0.50 C ATOM 1808 O SER A 435 10.364 8.083 -1.724 1.00 0.58 O ATOM 1809 CB SER A 435 8.580 9.889 -3.661 1.00 0.62 C ATOM 1810 OG SER A 435 7.383 10.333 -4.286 1.00 1.01 O ATOM 0 H SER A 435 6.470 9.613 -2.530 1.00 0.46 H new ATOM 0 HA SER A 435 8.472 7.780 -3.414 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.993 10.686 -3.043 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.328 9.653 -4.418 1.00 0.62 H new ATOM 0 HG SER A 435 7.573 11.124 -4.832 1.00 1.01 H new ATOM 1816 N GLN A 436 8.805 9.134 -0.489 1.00 0.43 N ATOM 1817 CA GLN A 436 9.611 9.190 0.724 1.00 0.48 C ATOM 1818 C GLN A 436 9.698 7.820 1.380 1.00 0.45 C ATOM 1819 O GLN A 436 10.754 7.423 1.822 1.00 0.51 O ATOM 1820 CB GLN A 436 9.036 10.192 1.720 1.00 0.52 C ATOM 1821 CG GLN A 436 9.021 11.623 1.223 1.00 0.77 C ATOM 1822 CD GLN A 436 8.567 12.591 2.294 1.00 0.77 C ATOM 1823 OE1 GLN A 436 7.374 12.833 2.464 1.00 1.27 O ATOM 1824 NE2 GLN A 436 9.516 13.170 3.004 1.00 1.38 N ATOM 0 H GLN A 436 7.871 9.530 -0.386 1.00 0.43 H new ATOM 0 HA GLN A 436 10.611 9.513 0.435 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.017 9.895 1.970 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.616 10.145 2.641 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.019 11.899 0.884 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.359 11.700 0.360 1.00 0.77 H new ATOM 0 HE21 GLN A 436 10.495 12.940 2.831 1.00 1.38 H new ATOM 0 HE22 GLN A 436 9.271 13.847 3.726 1.00 1.38 H new ATOM 1833 N VAL A 437 8.578 7.107 1.450 1.00 0.38 N ATOM 1834 CA VAL A 437 8.562 5.748 1.994 1.00 0.38 C ATOM 1835 C VAL A 437 9.340 4.806 1.081 1.00 0.42 C ATOM 1836 O VAL A 437 9.949 3.832 1.527 1.00 0.49 O ATOM 1837 CB VAL A 437 7.112 5.229 2.229 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.173 5.621 1.107 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.084 3.723 2.408 1.00 0.38 C ATOM 0 H VAL A 437 7.668 7.446 1.137 1.00 0.38 H new ATOM 0 HA VAL A 437 9.049 5.775 2.969 1.00 0.38 H new ATOM 0 HB VAL A 437 6.765 5.704 3.146 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.175 5.236 1.317 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.134 6.707 1.028 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.533 5.202 0.168 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.057 3.395 2.570 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.482 3.243 1.514 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.693 3.448 3.269 1.00 0.38 H new ATOM 1849 N LEU A 438 9.353 5.140 -0.197 1.00 0.41 N ATOM 1850 CA LEU A 438 10.142 4.405 -1.171 1.00 0.48 C ATOM 1851 C LEU A 438 11.612 4.795 -1.036 1.00 0.55 C ATOM 1852 O LEU A 438 12.507 4.067 -1.466 1.00 0.62 O ATOM 1853 CB LEU A 438 9.631 4.709 -2.582 1.00 0.48 C ATOM 1854 CG LEU A 438 8.130 4.486 -2.769 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.691 4.848 -4.175 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.740 3.058 -2.426 1.00 0.54 C ATOM 0 H LEU A 438 8.823 5.920 -0.587 1.00 0.41 H new ATOM 0 HA LEU A 438 10.046 3.335 -0.989 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.866 5.745 -2.825 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.171 4.084 -3.294 1.00 0.48 H new ATOM 0 HG LEU A 438 7.610 5.149 -2.078 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.619 4.679 -4.276 1.00 0.51 H new ATOM 0 HD12 LEU A 438 7.912 5.898 -4.366 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.226 4.228 -4.894 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.667 2.930 -2.569 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.278 2.368 -3.076 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.995 2.851 -1.387 1.00 0.54 H new