USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=22 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 401 ASN : amide:sc= -0.929 K(o=0.69,f=-4.6) USER MOD Set 1.2: A 417 LYS NZ :NH3+ -165:sc= 1.62 (180deg=1.34) USER MOD Set 2.1: A 370 ASN : amide:sc= -0.0123 K(o=-0.012,f=-0.93) USER MOD Set 2.2: A 386 THR OG1 : rot -58:sc=0.000666 USER MOD Single : A 340 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.04) USER MOD Single : A 346 SER OG : rot -29:sc= 0.65 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 350 TYR OH : rot 180:sc= 0.25 USER MOD Single : A 352 ASN : amide:sc= 0.882 K(o=0.88,f=-0.13) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot -7:sc= -4.45! USER MOD Single : A 362 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0396) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.17) USER MOD Single : A 381 ASN : amide:sc= -0.679 X(o=-0.68,f=-0.92) USER MOD Single : A 387 TYR OH : rot -103:sc= 0.155 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 MET CE :methyl -142:sc= -6.18! (180deg=-6.84!) USER MOD Single : A 391 SER OG : rot -30:sc= 0.407 USER MOD Single : A 396 HIS : no HE2:sc= -0.273 K(o=-0.27,f=-1.1) USER MOD Single : A 397 TYR OH : rot 37:sc= -3.63! 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= -2.48! C(o=-2.5!,f=-2.9!) USER MOD Single : A 416 MET CE :methyl 160:sc= -0.131 (180deg=-0.615) USER MOD Single : A 418 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 423 MET CE :methyl 157:sc= -0.211 (180deg=-0.918) USER MOD Single : A 424 SER OG : rot 77:sc= 0.519 USER MOD Single : A 427 THR OG1 : rot 170:sc= -0.018 USER MOD Single : A 432 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 435 SER OG : rot 54:sc= 0.293 USER MOD Single : A 436 GLN : amide:sc= -3.01! K(o=-3!,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.074 7.471 -5.851 1.00 1.08 N ATOM 81 CA LEU A 336 -1.647 6.957 -4.543 1.00 0.60 C ATOM 82 C LEU A 336 -1.900 5.461 -4.371 1.00 0.50 C ATOM 83 O LEU A 336 -2.610 4.833 -5.163 1.00 0.62 O ATOM 84 CB LEU A 336 -2.298 7.725 -3.385 1.00 0.36 C ATOM 85 CG LEU A 336 -1.927 9.202 -3.287 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.561 9.833 -2.062 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.425 9.363 -3.237 1.00 0.39 C ATOM 0 HA LEU A 336 -0.569 7.115 -4.515 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.381 7.646 -3.482 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -2.026 7.237 -2.449 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.307 9.710 -4.173 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.284 10.886 -2.011 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.646 9.746 -2.128 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.210 9.321 -1.166 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.175 10.422 -3.167 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.032 8.839 -2.366 1.00 0.39 H new ATOM 0 HD23 LEU A 336 0.016 8.945 -4.142 1.00 0.39 H new ATOM 99 N LEU A 337 -1.306 4.906 -3.321 1.00 0.39 N ATOM 100 CA LEU A 337 -1.431 3.495 -2.985 1.00 0.30 C ATOM 101 C LEU A 337 -2.890 3.056 -2.885 1.00 0.26 C ATOM 102 O LEU A 337 -3.287 2.092 -3.543 1.00 0.25 O ATOM 103 CB LEU A 337 -0.688 3.229 -1.668 1.00 0.32 C ATOM 104 CG LEU A 337 -1.122 1.998 -0.867 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.793 0.717 -1.600 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.455 2.005 0.496 1.00 0.39 C ATOM 0 H LEU A 337 -0.718 5.430 -2.673 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.985 2.907 -3.787 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.375 3.132 -1.891 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.801 4.106 -1.031 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.204 2.043 -0.741 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.115 -0.137 -1.003 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.310 0.704 -2.560 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.283 0.659 -1.766 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.769 1.126 1.059 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.628 1.988 0.371 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.744 2.906 1.038 1.00 0.39 H new ATOM 118 N TRP A 338 -3.688 3.776 -2.094 1.00 0.25 N ATOM 119 CA TRP A 338 -5.072 3.372 -1.830 1.00 0.24 C ATOM 120 C TRP A 338 -5.902 3.247 -3.109 1.00 0.24 C ATOM 121 O TRP A 338 -6.870 2.487 -3.150 1.00 0.24 O ATOM 122 CB TRP A 338 -5.765 4.294 -0.814 1.00 0.24 C ATOM 123 CG TRP A 338 -5.498 5.760 -0.995 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.773 6.561 -0.167 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.964 6.604 -2.051 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.753 7.841 -0.641 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.473 7.895 -1.802 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.739 6.394 -3.181 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.738 8.967 -2.645 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.999 7.457 -4.019 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.499 8.730 -3.749 1.00 0.28 C ATOM 0 H TRP A 338 -3.403 4.637 -1.627 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.010 2.379 -1.386 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.841 4.127 -0.871 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.450 4.005 0.189 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.283 6.231 0.737 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.278 8.629 -0.201 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.133 5.413 -3.401 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.354 9.954 -2.432 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.602 7.301 -4.902 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.719 9.542 -4.427 1.00 0.28 H new ATOM 142 N ASP A 339 -5.528 3.975 -4.150 1.00 0.25 N ATOM 143 CA ASP A 339 -6.240 3.880 -5.415 1.00 0.27 C ATOM 144 C ASP A 339 -5.814 2.636 -6.159 1.00 0.26 C ATOM 145 O ASP A 339 -6.647 1.880 -6.645 1.00 0.33 O ATOM 146 CB ASP A 339 -5.993 5.096 -6.294 1.00 0.36 C ATOM 147 CG ASP A 339 -6.663 4.956 -7.642 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.901 5.118 -7.712 1.00 1.80 O ATOM 149 OD2 ASP A 339 -5.950 4.696 -8.632 1.00 1.19 O ATOM 0 H ASP A 339 -4.746 4.630 -4.146 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.305 3.833 -5.186 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.366 5.989 -5.793 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.921 5.233 -6.433 1.00 0.36 H new ATOM 154 N TYR A 340 -4.510 2.420 -6.224 1.00 0.22 N ATOM 155 CA TYR A 340 -3.967 1.268 -6.916 1.00 0.20 C ATOM 156 C TYR A 340 -4.489 -0.025 -6.304 1.00 0.17 C ATOM 157 O TYR A 340 -4.896 -0.940 -7.016 1.00 0.17 O ATOM 158 CB TYR A 340 -2.441 1.285 -6.877 1.00 0.21 C ATOM 159 CG TYR A 340 -1.835 0.090 -7.560 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.756 0.029 -8.943 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.361 -0.983 -6.820 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.222 -1.072 -9.575 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.820 -2.089 -7.445 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.754 -2.128 -8.827 1.00 0.24 C ATOM 165 OH TYR A 340 -0.228 -3.226 -9.464 1.00 0.28 O ATOM 0 H TYR A 340 -3.809 3.030 -5.804 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.291 1.318 -7.955 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -2.079 2.195 -7.355 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.107 1.315 -5.840 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -2.119 0.857 -9.533 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.416 -0.953 -5.742 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.171 -1.106 -10.653 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.451 -2.918 -6.859 1.00 0.18 H new ATOM 0 HH TYR A 340 0.176 -2.949 -10.313 1.00 0.28 H new ATOM 175 N VAL A 341 -4.485 -0.095 -4.981 1.00 0.17 N ATOM 176 CA VAL A 341 -4.972 -1.275 -4.283 1.00 0.15 C ATOM 177 C VAL A 341 -6.471 -1.461 -4.519 1.00 0.15 C ATOM 178 O VAL A 341 -6.937 -2.577 -4.755 1.00 0.15 O ATOM 179 CB VAL A 341 -4.654 -1.210 -2.769 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.047 0.128 -2.181 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.347 -2.331 -2.012 1.00 0.15 C ATOM 0 H VAL A 341 -4.150 0.650 -4.370 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.450 -2.141 -4.690 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.576 -1.332 -2.662 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.811 0.141 -1.117 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.497 0.923 -2.685 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.117 0.285 -2.317 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.104 -2.258 -0.952 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.426 -2.247 -2.144 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.009 -3.293 -2.397 1.00 0.15 H new ATOM 191 N TYR A 342 -7.217 -0.364 -4.491 1.00 0.17 N ATOM 192 CA TYR A 342 -8.641 -0.404 -4.802 1.00 0.17 C ATOM 193 C TYR A 342 -8.852 -0.803 -6.263 1.00 0.17 C ATOM 194 O TYR A 342 -9.818 -1.485 -6.607 1.00 0.18 O ATOM 195 CB TYR A 342 -9.292 0.954 -4.516 1.00 0.20 C ATOM 196 CG TYR A 342 -10.723 1.042 -4.975 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.734 0.408 -4.273 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.058 1.742 -6.125 1.00 0.44 C ATOM 199 CE1 TYR A 342 -13.042 0.467 -4.702 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.362 1.800 -6.564 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.351 1.160 -5.851 1.00 0.71 C ATOM 202 OH TYR A 342 -14.654 1.210 -6.290 1.00 0.92 O ATOM 0 H TYR A 342 -6.861 0.563 -4.257 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.115 -1.151 -4.166 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -9.250 1.150 -3.445 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.713 1.736 -5.006 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.494 -0.142 -3.375 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.285 2.249 -6.684 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.821 -0.028 -4.140 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -12.608 2.345 -7.463 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.702 1.739 -7.113 1.00 0.92 H new ATOM 212 N GLN A 343 -7.924 -0.385 -7.111 1.00 0.18 N ATOM 213 CA GLN A 343 -7.966 -0.689 -8.531 1.00 0.19 C ATOM 214 C GLN A 343 -7.695 -2.175 -8.770 1.00 0.18 C ATOM 215 O GLN A 343 -8.195 -2.757 -9.730 1.00 0.23 O ATOM 216 CB GLN A 343 -6.944 0.186 -9.262 1.00 0.26 C ATOM 217 CG GLN A 343 -7.076 0.184 -10.773 1.00 0.71 C ATOM 218 CD GLN A 343 -6.154 1.193 -11.432 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.695 0.990 -12.555 1.00 2.07 O ATOM 220 NE2 GLN A 343 -5.885 2.293 -10.742 1.00 2.22 N ATOM 0 H GLN A 343 -7.119 0.176 -6.832 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.960 -0.472 -8.922 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.040 1.211 -8.903 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.942 -0.151 -8.998 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.852 -0.812 -11.154 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -8.108 0.405 -11.046 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -6.286 2.423 -9.813 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -5.277 3.009 -11.140 1.00 2.22 H new ATOM 229 N LEU A 344 -6.928 -2.791 -7.870 1.00 0.16 N ATOM 230 CA LEU A 344 -6.667 -4.221 -7.934 1.00 0.15 C ATOM 231 C LEU A 344 -7.930 -4.969 -7.552 1.00 0.17 C ATOM 232 O LEU A 344 -8.242 -6.022 -8.103 1.00 0.24 O ATOM 233 CB LEU A 344 -5.539 -4.617 -6.979 1.00 0.15 C ATOM 234 CG LEU A 344 -4.193 -3.933 -7.213 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.195 -4.385 -6.164 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.664 -4.232 -8.606 1.00 0.19 C ATOM 0 H LEU A 344 -6.477 -2.316 -7.088 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.364 -4.476 -8.949 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.861 -4.403 -5.960 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.393 -5.695 -7.048 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.336 -2.856 -7.131 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.238 -3.893 -6.337 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.564 -4.122 -5.173 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.065 -5.465 -6.227 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.705 -3.733 -8.746 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.534 -5.308 -8.723 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.373 -3.870 -9.350 1.00 0.19 H new ATOM 248 N LEU A 345 -8.658 -4.385 -6.605 1.00 0.18 N ATOM 249 CA LEU A 345 -9.909 -4.945 -6.119 1.00 0.20 C ATOM 250 C LEU A 345 -10.963 -4.975 -7.219 1.00 0.25 C ATOM 251 O LEU A 345 -11.947 -5.706 -7.132 1.00 0.36 O ATOM 252 CB LEU A 345 -10.432 -4.122 -4.938 1.00 0.17 C ATOM 253 CG LEU A 345 -9.566 -4.157 -3.682 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.960 -3.057 -2.713 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.677 -5.505 -3.000 1.00 0.15 C ATOM 0 H LEU A 345 -8.394 -3.509 -6.154 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.713 -5.968 -5.796 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.537 -3.085 -5.258 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.429 -4.479 -4.681 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.532 -3.994 -3.987 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.326 -3.107 -1.828 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.836 -2.087 -3.194 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.002 -3.186 -2.420 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.053 -5.513 -2.106 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.715 -5.687 -2.720 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.343 -6.287 -3.682 1.00 0.15 H new ATOM 267 N SER A 346 -10.752 -4.173 -8.253 1.00 0.28 N ATOM 268 CA SER A 346 -11.711 -4.056 -9.335 1.00 0.35 C ATOM 269 C SER A 346 -11.410 -5.054 -10.451 1.00 0.36 C ATOM 270 O SER A 346 -12.149 -5.134 -11.433 1.00 0.54 O ATOM 271 CB SER A 346 -11.700 -2.627 -9.886 1.00 0.46 C ATOM 272 OG SER A 346 -12.601 -2.481 -10.973 1.00 1.06 O ATOM 0 H SER A 346 -9.920 -3.593 -8.363 1.00 0.28 H new ATOM 0 HA SER A 346 -12.701 -4.284 -8.941 1.00 0.35 H new ATOM 0 HB2 SER A 346 -11.968 -1.928 -9.093 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.692 -2.369 -10.211 1.00 0.46 H new ATOM 0 HG SER A 346 -12.687 -3.336 -11.444 1.00 1.06 H new ATOM 278 N ASP A 347 -10.339 -5.821 -10.299 1.00 0.32 N ATOM 279 CA ASP A 347 -9.919 -6.733 -11.353 1.00 0.34 C ATOM 280 C ASP A 347 -9.787 -8.155 -10.822 1.00 0.34 C ATOM 281 O ASP A 347 -9.243 -8.381 -9.742 1.00 0.43 O ATOM 282 CB ASP A 347 -8.586 -6.285 -11.950 1.00 0.41 C ATOM 283 CG ASP A 347 -8.354 -6.853 -13.335 1.00 0.80 C ATOM 284 OD1 ASP A 347 -8.748 -8.011 -13.585 1.00 0.99 O ATOM 285 OD2 ASP A 347 -7.775 -6.146 -14.181 1.00 1.18 O ATOM 0 H ASP A 347 -9.751 -5.830 -9.466 1.00 0.32 H new ATOM 0 HA ASP A 347 -10.683 -6.718 -12.130 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.560 -5.196 -11.998 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -7.774 -6.595 -11.292 1.00 0.41 H new ATOM 290 N SER A 348 -10.277 -9.110 -11.600 1.00 0.40 N ATOM 291 CA SER A 348 -10.263 -10.507 -11.214 1.00 0.43 C ATOM 292 C SER A 348 -8.867 -11.118 -11.332 1.00 0.35 C ATOM 293 O SER A 348 -8.635 -12.235 -10.868 1.00 0.40 O ATOM 294 CB SER A 348 -11.265 -11.271 -12.074 1.00 0.59 C ATOM 295 OG SER A 348 -11.236 -10.811 -13.416 1.00 0.79 O ATOM 0 H SER A 348 -10.694 -8.935 -12.514 1.00 0.40 H new ATOM 0 HA SER A 348 -10.549 -10.580 -10.165 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.036 -12.336 -12.046 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.268 -11.149 -11.665 1.00 0.59 H new ATOM 0 HG SER A 348 -11.885 -11.316 -13.949 1.00 0.79 H new ATOM 301 N ARG A 349 -7.941 -10.394 -11.964 1.00 0.34 N ATOM 302 CA ARG A 349 -6.558 -10.836 -12.054 1.00 0.37 C ATOM 303 C ARG A 349 -5.985 -11.088 -10.677 1.00 0.31 C ATOM 304 O ARG A 349 -5.447 -12.152 -10.386 1.00 0.42 O ATOM 305 CB ARG A 349 -5.697 -9.773 -12.693 1.00 0.45 C ATOM 306 CG ARG A 349 -6.139 -9.336 -14.061 1.00 0.71 C ATOM 307 CD ARG A 349 -5.083 -8.454 -14.670 1.00 1.07 C ATOM 308 NE ARG A 349 -5.374 -8.086 -16.049 1.00 1.86 N ATOM 309 CZ ARG A 349 -4.985 -6.942 -16.605 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.370 -6.017 -15.872 1.00 2.75 N ATOM 311 NH2 ARG A 349 -5.227 -6.716 -17.889 1.00 3.43 N ATOM 0 H ARG A 349 -8.129 -9.501 -12.419 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.556 -11.749 -12.650 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.676 -8.902 -12.039 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -4.675 -10.146 -12.760 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.311 -10.206 -14.695 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.084 -8.797 -13.995 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -4.984 -7.548 -14.071 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.122 -8.968 -14.632 1.00 1.07 H new ATOM 0 HE ARG A 349 -5.906 -8.742 -16.620 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -4.196 -6.184 -14.881 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -4.073 -5.141 -16.301 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -5.711 -7.419 -18.448 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -4.930 -5.839 -18.317 1.00 3.43 H new ATOM 325 N TYR A 350 -6.114 -10.077 -9.841 1.00 0.26 N ATOM 326 CA TYR A 350 -5.413 -10.028 -8.569 1.00 0.30 C ATOM 327 C TYR A 350 -6.227 -10.617 -7.422 1.00 0.24 C ATOM 328 O TYR A 350 -5.959 -10.302 -6.274 1.00 0.25 O ATOM 329 CB TYR A 350 -5.068 -8.572 -8.245 1.00 0.40 C ATOM 330 CG TYR A 350 -4.710 -7.764 -9.469 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.470 -7.896 -10.070 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.626 -6.885 -10.036 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.148 -7.175 -11.200 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.314 -6.165 -11.168 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.073 -6.312 -11.750 1.00 0.63 C ATOM 336 OH TYR A 350 -3.762 -5.605 -12.890 1.00 0.72 O ATOM 0 H TYR A 350 -6.706 -9.266 -10.022 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.512 -10.633 -8.670 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -5.917 -8.106 -7.744 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.233 -8.549 -7.545 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.744 -8.574 -9.647 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.598 -6.765 -9.581 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.174 -7.286 -11.653 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.038 -5.489 -11.598 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.524 -5.044 -13.145 1.00 0.72 H new ATOM 346 N GLU A 351 -7.193 -11.481 -7.714 1.00 0.22 N ATOM 347 CA GLU A 351 -8.069 -12.017 -6.664 1.00 0.23 C ATOM 348 C GLU A 351 -7.285 -12.812 -5.607 1.00 0.21 C ATOM 349 O GLU A 351 -7.636 -12.800 -4.428 1.00 0.25 O ATOM 350 CB GLU A 351 -9.176 -12.889 -7.260 1.00 0.31 C ATOM 351 CG GLU A 351 -8.674 -14.135 -7.961 1.00 0.36 C ATOM 352 CD GLU A 351 -9.796 -15.093 -8.293 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.478 -14.879 -9.316 1.00 1.22 O ATOM 354 OE2 GLU A 351 -10.000 -16.067 -7.537 1.00 1.45 O ATOM 0 H GLU A 351 -7.392 -11.825 -8.653 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.524 -11.159 -6.169 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.859 -13.184 -6.464 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.751 -12.293 -7.969 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.157 -13.851 -8.878 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.944 -14.638 -7.327 1.00 0.36 H new ATOM 361 N ASN A 352 -6.221 -13.490 -6.025 1.00 0.22 N ATOM 362 CA ASN A 352 -5.398 -14.267 -5.106 1.00 0.24 C ATOM 363 C ASN A 352 -4.315 -13.376 -4.504 1.00 0.19 C ATOM 364 O ASN A 352 -3.511 -13.809 -3.684 1.00 0.21 O ATOM 365 CB ASN A 352 -4.782 -15.468 -5.824 1.00 0.32 C ATOM 366 CG ASN A 352 -4.543 -16.665 -4.917 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.710 -17.813 -5.337 1.00 1.06 O ATOM 368 ND2 ASN A 352 -4.131 -16.425 -3.687 1.00 1.06 N ATOM 0 H ASN A 352 -5.908 -13.517 -6.996 1.00 0.22 H new ATOM 0 HA ASN A 352 -6.025 -14.646 -4.299 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.438 -15.768 -6.641 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.834 -15.167 -6.270 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.941 -17.201 -3.052 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -4.003 -15.464 -3.371 1.00 1.06 H new ATOM 375 N PHE A 353 -4.300 -12.126 -4.929 1.00 0.16 N ATOM 376 CA PHE A 353 -3.427 -11.125 -4.340 1.00 0.14 C ATOM 377 C PHE A 353 -4.224 -10.300 -3.341 1.00 0.12 C ATOM 378 O PHE A 353 -3.774 -10.032 -2.229 1.00 0.11 O ATOM 379 CB PHE A 353 -2.847 -10.205 -5.418 1.00 0.16 C ATOM 380 CG PHE A 353 -1.919 -10.884 -6.381 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.408 -11.718 -7.374 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.554 -10.674 -6.300 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.551 -12.333 -8.266 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.307 -11.282 -7.189 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.190 -12.113 -8.173 1.00 0.29 C ATOM 0 H PHE A 353 -4.887 -11.777 -5.686 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.600 -11.628 -3.838 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.669 -9.759 -5.978 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.313 -9.389 -4.932 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.472 -11.889 -7.451 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.158 -10.026 -5.532 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.943 -12.984 -9.034 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.370 -11.108 -7.115 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.484 -12.590 -8.869 1.00 0.29 H new ATOM 395 N ILE A 354 -5.415 -9.905 -3.760 1.00 0.11 N ATOM 396 CA ILE A 354 -6.320 -9.130 -2.941 1.00 0.11 C ATOM 397 C ILE A 354 -7.753 -9.305 -3.442 1.00 0.12 C ATOM 398 O ILE A 354 -7.984 -9.415 -4.643 1.00 0.16 O ATOM 399 CB ILE A 354 -5.929 -7.644 -2.962 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.733 -6.873 -1.930 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.121 -7.047 -4.353 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.248 -5.467 -1.739 1.00 0.12 C ATOM 0 H ILE A 354 -5.780 -10.118 -4.688 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.255 -9.488 -1.914 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.872 -7.565 -2.708 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.779 -6.852 -2.235 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.689 -7.399 -0.976 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.837 -5.995 -4.340 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.496 -7.582 -5.068 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.167 -7.137 -4.646 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.863 -4.969 -0.990 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.210 -5.482 -1.405 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.318 -4.927 -2.683 1.00 0.12 H new ATOM 414 N ARG A 355 -8.715 -9.357 -2.532 1.00 0.12 N ATOM 415 CA ARG A 355 -10.107 -9.510 -2.929 1.00 0.14 C ATOM 416 C ARG A 355 -11.042 -8.936 -1.874 1.00 0.14 C ATOM 417 O ARG A 355 -10.702 -8.870 -0.689 1.00 0.15 O ATOM 418 CB ARG A 355 -10.428 -10.983 -3.204 1.00 0.18 C ATOM 419 CG ARG A 355 -10.204 -11.906 -2.020 1.00 0.24 C ATOM 420 CD ARG A 355 -10.261 -13.365 -2.445 1.00 0.40 C ATOM 421 NE ARG A 355 -9.941 -14.273 -1.344 1.00 0.90 N ATOM 422 CZ ARG A 355 -10.062 -15.600 -1.414 1.00 1.53 C ATOM 423 NH1 ARG A 355 -10.460 -16.176 -2.542 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.773 -16.353 -0.357 1.00 2.39 N ATOM 0 H ARG A 355 -8.561 -9.296 -1.526 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.262 -8.949 -3.850 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.468 -11.063 -3.519 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.815 -11.326 -4.038 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.236 -11.693 -1.567 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.960 -11.716 -1.259 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.257 -13.593 -2.824 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.562 -13.531 -3.265 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.605 -13.868 -0.470 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -10.674 -15.604 -3.359 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -10.551 -17.191 -2.592 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -9.458 -15.916 0.509 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -9.866 -17.367 -0.413 1.00 2.39 H new ATOM 438 N TRP A 356 -12.209 -8.503 -2.327 1.00 0.15 N ATOM 439 CA TRP A 356 -13.225 -7.930 -1.457 1.00 0.16 C ATOM 440 C TRP A 356 -13.789 -8.971 -0.503 1.00 0.18 C ATOM 441 O TRP A 356 -14.246 -10.038 -0.920 1.00 0.25 O ATOM 442 CB TRP A 356 -14.363 -7.336 -2.285 1.00 0.18 C ATOM 443 CG TRP A 356 -14.016 -6.035 -2.923 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.810 -5.792 -4.248 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.832 -4.792 -2.253 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.533 -4.464 -4.439 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.540 -3.832 -3.226 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.894 -4.397 -0.923 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.313 -2.503 -2.905 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.663 -3.082 -0.604 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.377 -2.143 -1.593 1.00 0.20 C ATOM 0 H TRP A 356 -12.479 -8.539 -3.310 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.748 -7.143 -0.872 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.648 -8.047 -3.060 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.234 -7.197 -1.644 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.858 -6.535 -5.030 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.351 -4.019 -5.339 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.121 -5.115 -0.149 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.092 -1.775 -3.672 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.704 -2.770 0.429 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.203 -1.114 -1.315 1.00 0.20 H new ATOM 462 N GLU A 357 -13.755 -8.651 0.780 1.00 0.18 N ATOM 463 CA GLU A 357 -14.324 -9.512 1.798 1.00 0.22 C ATOM 464 C GLU A 357 -15.777 -9.121 2.007 1.00 0.22 C ATOM 465 O GLU A 357 -16.658 -9.965 2.156 1.00 0.31 O ATOM 466 CB GLU A 357 -13.541 -9.375 3.099 1.00 0.25 C ATOM 467 CG GLU A 357 -13.773 -10.508 4.086 1.00 0.52 C ATOM 468 CD GLU A 357 -13.403 -11.865 3.525 1.00 0.45 C ATOM 469 OE1 GLU A 357 -14.060 -12.326 2.569 1.00 0.79 O ATOM 470 OE2 GLU A 357 -12.463 -12.487 4.056 1.00 0.73 O ATOM 0 H GLU A 357 -13.336 -7.794 1.141 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.268 -10.553 1.479 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -12.477 -9.322 2.866 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -13.810 -8.432 3.575 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -13.190 -10.322 4.988 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -14.822 -10.517 4.381 1.00 0.52 H new ATOM 477 N ASP A 358 -16.004 -7.820 2.013 1.00 0.19 N ATOM 478 CA ASP A 358 -17.346 -7.264 2.017 1.00 0.22 C ATOM 479 C ASP A 358 -17.330 -5.946 1.256 1.00 0.20 C ATOM 480 O ASP A 358 -16.990 -4.901 1.808 1.00 0.22 O ATOM 481 CB ASP A 358 -17.859 -7.041 3.441 1.00 0.28 C ATOM 482 CG ASP A 358 -19.363 -6.826 3.478 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.859 -5.945 2.742 1.00 2.07 O ATOM 484 OD2 ASP A 358 -20.064 -7.542 4.234 1.00 1.30 O ATOM 0 H ASP A 358 -15.264 -7.119 2.015 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.020 -7.972 1.535 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.601 -7.902 4.058 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.358 -6.176 3.875 1.00 0.28 H new ATOM 489 N LYS A 359 -17.668 -6.009 -0.020 1.00 0.23 N ATOM 490 CA LYS A 359 -17.602 -4.859 -0.897 1.00 0.26 C ATOM 491 C LYS A 359 -18.521 -3.723 -0.450 1.00 0.28 C ATOM 492 O LYS A 359 -18.272 -2.558 -0.766 1.00 0.33 O ATOM 493 CB LYS A 359 -17.948 -5.279 -2.301 1.00 0.35 C ATOM 494 CG LYS A 359 -17.217 -4.450 -3.320 1.00 0.41 C ATOM 495 CD LYS A 359 -17.401 -4.976 -4.705 1.00 0.60 C ATOM 496 CE LYS A 359 -17.030 -6.434 -4.789 1.00 0.96 C ATOM 497 NZ LYS A 359 -17.532 -7.075 -6.034 1.00 1.65 N ATOM 0 H LYS A 359 -17.996 -6.861 -0.475 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.582 -4.475 -0.857 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.698 -6.331 -2.439 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -19.023 -5.184 -2.456 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -17.573 -3.421 -3.273 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.154 -4.431 -3.077 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -18.439 -4.844 -5.012 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -16.788 -4.402 -5.399 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -15.945 -6.534 -4.744 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -17.435 -6.960 -3.924 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -17.252 -8.077 -6.046 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -18.569 -7.005 -6.067 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.126 -6.592 -6.861 1.00 1.65 H new ATOM 511 N GLU A 360 -19.576 -4.052 0.283 1.00 0.32 N ATOM 512 CA GLU A 360 -20.566 -3.063 0.652 1.00 0.36 C ATOM 513 C GLU A 360 -20.110 -2.287 1.879 1.00 0.34 C ATOM 514 O GLU A 360 -20.345 -1.081 1.994 1.00 0.42 O ATOM 515 CB GLU A 360 -21.920 -3.726 0.904 1.00 0.45 C ATOM 516 CG GLU A 360 -23.027 -2.739 1.229 1.00 0.94 C ATOM 517 CD GLU A 360 -24.379 -3.399 1.357 1.00 1.10 C ATOM 518 OE1 GLU A 360 -25.077 -3.528 0.328 1.00 1.33 O ATOM 519 OE2 GLU A 360 -24.753 -3.783 2.482 1.00 1.40 O ATOM 0 H GLU A 360 -19.763 -4.993 0.630 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.679 -2.362 -0.175 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.204 -4.301 0.022 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.822 -4.433 1.727 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.788 -2.226 2.161 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -23.071 -1.979 0.449 1.00 0.94 H new ATOM 526 N SER A 361 -19.448 -2.982 2.790 1.00 0.28 N ATOM 527 CA SER A 361 -18.895 -2.354 3.970 1.00 0.27 C ATOM 528 C SER A 361 -17.555 -1.700 3.649 1.00 0.23 C ATOM 529 O SER A 361 -17.039 -0.907 4.442 1.00 0.25 O ATOM 530 CB SER A 361 -18.707 -3.398 5.062 1.00 0.29 C ATOM 531 OG SER A 361 -17.919 -4.461 4.595 1.00 1.10 O ATOM 0 H SER A 361 -19.282 -3.987 2.730 1.00 0.28 H new ATOM 0 HA SER A 361 -19.585 -1.584 4.314 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.234 -2.942 5.932 1.00 0.29 H new ATOM 0 HB3 SER A 361 -19.678 -3.772 5.386 1.00 0.29 H new ATOM 0 HG SER A 361 -17.751 -4.347 3.636 1.00 1.10 H new ATOM 537 N LYS A 362 -17.025 -2.029 2.461 1.00 0.20 N ATOM 538 CA LYS A 362 -15.692 -1.603 2.018 1.00 0.19 C ATOM 539 C LYS A 362 -14.610 -2.397 2.752 1.00 0.15 C ATOM 540 O LYS A 362 -13.479 -1.935 2.911 1.00 0.16 O ATOM 541 CB LYS A 362 -15.483 -0.098 2.228 1.00 0.24 C ATOM 542 CG LYS A 362 -16.518 0.769 1.528 1.00 0.33 C ATOM 543 CD LYS A 362 -16.209 0.932 0.052 1.00 0.46 C ATOM 544 CE LYS A 362 -17.392 1.516 -0.707 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.828 2.830 -0.156 1.00 1.83 N ATOM 0 H LYS A 362 -17.516 -2.604 1.776 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.617 -1.803 0.949 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.505 0.117 3.296 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.491 0.175 1.869 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.506 0.323 1.646 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.552 1.750 2.003 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.342 1.581 -0.069 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -15.945 -0.036 -0.374 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -17.123 1.636 -1.756 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -18.226 0.815 -0.670 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -18.555 3.242 -0.775 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -18.221 2.694 0.797 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -17.012 3.473 -0.105 1.00 1.83 H new ATOM 559 N ILE A 363 -14.972 -3.601 3.188 1.00 0.14 N ATOM 560 CA ILE A 363 -14.039 -4.493 3.875 1.00 0.13 C ATOM 561 C ILE A 363 -13.320 -5.341 2.827 1.00 0.11 C ATOM 562 O ILE A 363 -13.959 -6.054 2.052 1.00 0.14 O ATOM 563 CB ILE A 363 -14.756 -5.436 4.902 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.333 -4.693 6.127 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.788 -6.492 5.402 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.612 -3.236 5.920 1.00 0.19 C ATOM 0 H ILE A 363 -15.911 -3.984 3.077 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.336 -3.879 4.438 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.590 -5.883 4.361 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -16.259 -5.184 6.426 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.634 -4.798 6.957 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.295 -7.142 6.115 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.430 -7.085 4.560 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.942 -6.008 5.890 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.014 -2.808 6.839 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.688 -2.723 5.655 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.338 -3.115 5.116 1.00 0.19 H new ATOM 578 N PHE A 364 -12.004 -5.269 2.791 1.00 0.09 N ATOM 579 CA PHE A 364 -11.248 -5.944 1.747 1.00 0.08 C ATOM 580 C PHE A 364 -10.080 -6.712 2.348 1.00 0.08 C ATOM 581 O PHE A 364 -9.463 -6.262 3.313 1.00 0.09 O ATOM 582 CB PHE A 364 -10.758 -4.927 0.708 1.00 0.09 C ATOM 583 CG PHE A 364 -9.557 -4.128 1.135 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.681 -3.081 2.034 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.304 -4.428 0.631 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.570 -2.349 2.419 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.195 -3.702 1.013 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.325 -2.662 1.904 1.00 0.10 C ATOM 0 H PHE A 364 -11.437 -4.755 3.465 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.901 -6.659 1.246 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.517 -5.456 -0.214 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.573 -4.240 0.478 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.652 -2.834 2.438 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.193 -5.241 -0.071 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.676 -1.535 3.121 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.223 -3.950 0.612 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.457 -2.091 2.201 1.00 0.10 H new ATOM 598 N ARG A 365 -9.780 -7.874 1.788 1.00 0.08 N ATOM 599 CA ARG A 365 -8.712 -8.706 2.308 1.00 0.09 C ATOM 600 C ARG A 365 -7.521 -8.680 1.383 1.00 0.09 C ATOM 601 O ARG A 365 -7.660 -8.883 0.175 1.00 0.10 O ATOM 602 CB ARG A 365 -9.148 -10.163 2.449 1.00 0.13 C ATOM 603 CG ARG A 365 -8.062 -11.047 3.053 1.00 0.20 C ATOM 604 CD ARG A 365 -8.262 -12.522 2.737 1.00 0.26 C ATOM 605 NE ARG A 365 -9.539 -13.033 3.222 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.889 -14.316 3.189 1.00 0.73 C ATOM 607 NH1 ARG A 365 -9.030 -15.242 2.767 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.098 -14.673 3.590 1.00 1.14 N ATOM 0 H ARG A 365 -10.261 -8.259 0.975 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.454 -8.302 3.287 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -10.040 -10.212 3.074 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.424 -10.552 1.469 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.089 -10.728 2.678 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -8.047 -10.910 4.134 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.202 -12.670 1.659 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.452 -13.098 3.183 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.205 -12.365 3.611 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -8.094 -14.970 2.465 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.308 -16.223 2.745 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.755 -13.966 3.922 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.374 -15.655 3.568 1.00 1.14 H new ATOM 622 N ILE A 366 -6.355 -8.460 1.946 1.00 0.09 N ATOM 623 CA ILE A 366 -5.132 -8.652 1.207 1.00 0.09 C ATOM 624 C ILE A 366 -4.747 -10.116 1.295 1.00 0.09 C ATOM 625 O ILE A 366 -4.380 -10.626 2.357 1.00 0.12 O ATOM 626 CB ILE A 366 -4.007 -7.728 1.703 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.326 -6.298 1.247 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.654 -8.208 1.186 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.307 -5.261 1.650 1.00 0.12 C ATOM 0 H ILE A 366 -6.229 -8.149 2.909 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.292 -8.381 0.163 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.947 -7.747 2.791 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.420 -6.291 0.161 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.296 -6.010 1.653 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.870 -7.542 1.547 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.465 -9.220 1.545 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.659 -8.205 0.096 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.619 -4.283 1.283 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.227 -5.233 2.737 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.338 -5.517 1.222 1.00 0.12 H new ATOM 641 N VAL A 367 -4.877 -10.782 0.169 1.00 0.10 N ATOM 642 CA VAL A 367 -4.809 -12.227 0.102 1.00 0.12 C ATOM 643 C VAL A 367 -3.364 -12.712 0.035 1.00 0.13 C ATOM 644 O VAL A 367 -2.971 -13.629 0.759 1.00 0.19 O ATOM 645 CB VAL A 367 -5.620 -12.721 -1.109 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.389 -14.189 -1.375 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.094 -12.452 -0.886 1.00 0.20 C ATOM 0 H VAL A 367 -5.034 -10.333 -0.734 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.242 -12.643 1.012 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.280 -12.172 -1.987 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.979 -14.500 -2.237 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.332 -14.360 -1.578 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.689 -14.769 -0.502 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.662 -12.804 -1.747 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.428 -12.977 0.009 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.253 -11.381 -0.759 1.00 0.20 H new ATOM 657 N ASP A 368 -2.576 -12.079 -0.812 1.00 0.12 N ATOM 658 CA ASP A 368 -1.154 -12.361 -0.880 1.00 0.13 C ATOM 659 C ASP A 368 -0.383 -11.068 -0.742 1.00 0.12 C ATOM 660 O ASP A 368 -0.050 -10.409 -1.724 1.00 0.12 O ATOM 661 CB ASP A 368 -0.768 -13.081 -2.174 1.00 0.18 C ATOM 662 CG ASP A 368 0.723 -13.370 -2.246 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.291 -13.848 -1.244 1.00 0.52 O ATOM 664 OD2 ASP A 368 1.335 -13.113 -3.310 1.00 0.50 O ATOM 0 H ASP A 368 -2.897 -11.364 -1.465 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.902 -13.033 -0.059 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.322 -14.017 -2.246 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -1.060 -12.471 -3.029 1.00 0.18 H new ATOM 669 N PRO A 369 -0.128 -10.685 0.506 1.00 0.11 N ATOM 670 CA PRO A 369 0.498 -9.420 0.854 1.00 0.11 C ATOM 671 C PRO A 369 1.815 -9.161 0.132 1.00 0.12 C ATOM 672 O PRO A 369 2.091 -8.033 -0.280 1.00 0.14 O ATOM 673 CB PRO A 369 0.710 -9.551 2.362 1.00 0.13 C ATOM 674 CG PRO A 369 -0.370 -10.449 2.787 1.00 0.13 C ATOM 675 CD PRO A 369 -0.476 -11.455 1.703 1.00 0.13 C ATOM 0 HA PRO A 369 -0.120 -8.572 0.559 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.691 -9.966 2.594 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.647 -8.584 2.861 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.139 -10.920 3.743 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.307 -9.907 2.917 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.207 -12.290 1.859 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.481 -11.873 1.637 1.00 0.13 H new ATOM 683 N ASN A 370 2.621 -10.198 -0.026 1.00 0.15 N ATOM 684 CA ASN A 370 3.900 -10.052 -0.714 1.00 0.18 C ATOM 685 C ASN A 370 3.666 -9.641 -2.159 1.00 0.16 C ATOM 686 O ASN A 370 4.256 -8.679 -2.649 1.00 0.17 O ATOM 687 CB ASN A 370 4.703 -11.348 -0.691 1.00 0.25 C ATOM 688 CG ASN A 370 6.127 -11.142 -1.175 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.728 -10.091 -0.944 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.674 -12.136 -1.854 1.00 0.99 N ATOM 0 H ASN A 370 2.419 -11.141 0.307 1.00 0.15 H new ATOM 0 HA ASN A 370 4.469 -9.284 -0.190 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.719 -11.747 0.323 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.211 -12.091 -1.318 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.627 -12.049 -2.208 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.143 -12.990 -2.024 1.00 0.99 H new ATOM 697 N GLY A 371 2.779 -10.370 -2.824 1.00 0.16 N ATOM 698 CA GLY A 371 2.452 -10.079 -4.207 1.00 0.17 C ATOM 699 C GLY A 371 1.763 -8.741 -4.355 1.00 0.14 C ATOM 700 O GLY A 371 1.930 -8.059 -5.363 1.00 0.16 O ATOM 0 H GLY A 371 2.277 -11.164 -2.427 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.364 -10.086 -4.805 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.807 -10.865 -4.600 1.00 0.17 H new ATOM 704 N LEU A 372 0.988 -8.367 -3.345 1.00 0.13 N ATOM 705 CA LEU A 372 0.323 -7.071 -3.323 1.00 0.12 C ATOM 706 C LEU A 372 1.369 -5.955 -3.318 1.00 0.12 C ATOM 707 O LEU A 372 1.260 -4.982 -4.064 1.00 0.12 O ATOM 708 CB LEU A 372 -0.585 -6.975 -2.089 1.00 0.12 C ATOM 709 CG LEU A 372 -1.905 -6.227 -2.285 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.667 -4.750 -2.567 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.692 -6.859 -3.419 1.00 0.14 C ATOM 0 H LEU A 372 0.804 -8.947 -2.526 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.295 -6.961 -4.214 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.810 -7.986 -1.748 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.028 -6.486 -1.290 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.480 -6.302 -1.362 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.624 -4.246 -2.702 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.135 -4.301 -1.728 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -1.071 -4.644 -3.473 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.631 -6.322 -3.554 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.109 -6.808 -4.339 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.901 -7.902 -3.180 1.00 0.14 H new ATOM 723 N ALA A 373 2.387 -6.123 -2.480 1.00 0.13 N ATOM 724 CA ALA A 373 3.519 -5.200 -2.433 1.00 0.16 C ATOM 725 C ALA A 373 4.250 -5.186 -3.769 1.00 0.18 C ATOM 726 O ALA A 373 4.707 -4.145 -4.229 1.00 0.22 O ATOM 727 CB ALA A 373 4.470 -5.612 -1.334 1.00 0.18 C ATOM 0 H ALA A 373 2.452 -6.896 -1.818 1.00 0.13 H new ATOM 0 HA ALA A 373 3.144 -4.197 -2.229 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.312 -4.921 -1.303 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.950 -5.593 -0.376 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.835 -6.620 -1.528 1.00 0.18 H new ATOM 733 N ARG A 374 4.361 -6.362 -4.378 1.00 0.19 N ATOM 734 CA ARG A 374 4.993 -6.507 -5.684 1.00 0.24 C ATOM 735 C ARG A 374 4.227 -5.724 -6.743 1.00 0.19 C ATOM 736 O ARG A 374 4.820 -5.055 -7.588 1.00 0.21 O ATOM 737 CB ARG A 374 5.065 -7.982 -6.067 1.00 0.33 C ATOM 738 CG ARG A 374 6.009 -8.778 -5.187 1.00 0.67 C ATOM 739 CD ARG A 374 7.452 -8.646 -5.637 1.00 0.92 C ATOM 740 NE ARG A 374 7.690 -9.367 -6.886 1.00 1.47 N ATOM 741 CZ ARG A 374 8.716 -10.191 -7.087 1.00 1.99 C ATOM 742 NH1 ARG A 374 9.626 -10.373 -6.136 1.00 2.45 N ATOM 743 NH2 ARG A 374 8.833 -10.831 -8.243 1.00 2.67 N ATOM 0 H ARG A 374 4.017 -7.237 -3.982 1.00 0.19 H new ATOM 0 HA ARG A 374 6.004 -6.105 -5.627 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.067 -8.417 -6.006 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.387 -8.067 -7.105 1.00 0.33 H new ATOM 0 HG2 ARG A 374 5.918 -8.437 -4.156 1.00 0.67 H new ATOM 0 HG3 ARG A 374 5.719 -9.829 -5.202 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.698 -7.593 -5.771 1.00 0.92 H new ATOM 0 HD3 ARG A 374 8.113 -9.032 -4.861 1.00 0.92 H new ATOM 0 HE ARG A 374 7.029 -9.230 -7.651 1.00 1.47 H new ATOM 0 HH11 ARG A 374 9.540 -9.880 -5.247 1.00 2.45 H new ATOM 0 HH12 ARG A 374 10.410 -11.005 -6.295 1.00 2.45 H new ATOM 0 HH21 ARG A 374 8.138 -10.691 -8.976 1.00 2.67 H new ATOM 0 HH22 ARG A 374 9.618 -11.463 -8.399 1.00 2.67 H new ATOM 757 N LEU A 375 2.902 -5.816 -6.686 1.00 0.17 N ATOM 758 CA LEU A 375 2.037 -5.084 -7.604 1.00 0.18 C ATOM 759 C LEU A 375 2.187 -3.583 -7.401 1.00 0.19 C ATOM 760 O LEU A 375 2.446 -2.842 -8.348 1.00 0.22 O ATOM 761 CB LEU A 375 0.573 -5.495 -7.407 1.00 0.18 C ATOM 762 CG LEU A 375 0.246 -6.937 -7.788 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.193 -7.271 -7.440 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.489 -7.165 -9.272 1.00 0.26 C ATOM 0 H LEU A 375 2.402 -6.393 -6.010 1.00 0.17 H new ATOM 0 HA LEU A 375 2.338 -5.331 -8.622 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.307 -5.343 -6.361 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.057 -4.829 -7.996 1.00 0.18 H new ATOM 0 HG LEU A 375 0.903 -7.595 -7.219 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.405 -8.303 -7.720 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.346 -7.147 -6.368 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.863 -6.603 -7.982 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.251 -8.198 -9.525 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.145 -6.494 -9.852 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.535 -6.967 -9.504 1.00 0.26 H new ATOM 776 N TRP A 376 2.035 -3.141 -6.158 1.00 0.18 N ATOM 777 CA TRP A 376 2.162 -1.727 -5.835 1.00 0.20 C ATOM 778 C TRP A 376 3.562 -1.229 -6.187 1.00 0.25 C ATOM 779 O TRP A 376 3.726 -0.140 -6.739 1.00 0.30 O ATOM 780 CB TRP A 376 1.848 -1.491 -4.356 1.00 0.20 C ATOM 781 CG TRP A 376 1.965 -0.056 -3.943 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.153 0.975 -4.319 1.00 0.20 C ATOM 783 CD2 TRP A 376 2.945 0.504 -3.064 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.584 2.148 -3.744 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.679 1.883 -2.966 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.025 -0.027 -2.355 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.453 2.736 -2.186 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.791 0.822 -1.579 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.502 2.191 -1.501 1.00 0.35 C ATOM 0 H TRP A 376 1.824 -3.740 -5.360 1.00 0.18 H new ATOM 0 HA TRP A 376 1.443 -1.162 -6.427 1.00 0.20 H new ATOM 0 HB2 TRP A 376 0.837 -1.840 -4.147 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.524 -2.092 -3.748 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.298 0.883 -4.972 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.158 3.065 -3.876 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.257 -1.080 -2.412 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.233 3.791 -2.124 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.627 0.424 -1.023 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.121 2.828 -0.887 1.00 0.35 H new ATOM 800 N GLY A 377 4.564 -2.050 -5.880 1.00 0.27 N ATOM 801 CA GLY A 377 5.924 -1.773 -6.300 1.00 0.33 C ATOM 802 C GLY A 377 6.009 -1.592 -7.800 1.00 0.38 C ATOM 803 O GLY A 377 6.606 -0.637 -8.279 1.00 0.41 O ATOM 0 H GLY A 377 4.454 -2.910 -5.342 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.285 -0.873 -5.802 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.576 -2.591 -5.992 1.00 0.33 H new ATOM 807 N ASN A 378 5.382 -2.502 -8.536 1.00 0.41 N ATOM 808 CA ASN A 378 5.356 -2.448 -9.996 1.00 0.50 C ATOM 809 C ASN A 378 4.869 -1.086 -10.484 1.00 0.51 C ATOM 810 O ASN A 378 5.481 -0.479 -11.363 1.00 0.62 O ATOM 811 CB ASN A 378 4.459 -3.555 -10.550 1.00 0.54 C ATOM 812 CG ASN A 378 4.388 -3.571 -12.066 1.00 0.72 C ATOM 813 OD1 ASN A 378 3.547 -2.904 -12.667 1.00 0.89 O ATOM 814 ND2 ASN A 378 5.259 -4.344 -12.695 1.00 1.06 N ATOM 0 H ASN A 378 4.878 -3.296 -8.141 1.00 0.41 H new ATOM 0 HA ASN A 378 6.373 -2.598 -10.359 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.827 -4.520 -10.201 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.453 -3.433 -10.148 1.00 0.54 H new ATOM 0 HD21 ASN A 378 5.248 -4.401 -13.713 1.00 1.06 H new ATOM 0 HD22 ASN A 378 5.942 -4.882 -12.161 1.00 1.06 H new ATOM 821 N HIS A 379 3.788 -0.598 -9.884 1.00 0.44 N ATOM 822 CA HIS A 379 3.224 0.698 -10.250 1.00 0.49 C ATOM 823 C HIS A 379 4.170 1.833 -9.857 1.00 0.53 C ATOM 824 O HIS A 379 4.275 2.840 -10.559 1.00 0.67 O ATOM 825 CB HIS A 379 1.859 0.895 -9.580 1.00 0.51 C ATOM 826 CG HIS A 379 1.133 2.134 -10.021 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.323 2.130 -11.131 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.124 3.373 -9.472 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.156 3.358 -11.233 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.300 4.147 -10.252 1.00 0.89 N ATOM 0 H HIS A 379 3.284 -1.081 -9.141 1.00 0.44 H new ATOM 0 HA HIS A 379 3.093 0.717 -11.332 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.234 0.027 -9.790 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.999 0.934 -8.500 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.661 3.691 -8.591 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.831 3.684 -12.011 1.00 0.84 H new ATOM 0 HE2 HIS A 379 0.078 5.133 -10.111 1.00 0.89 H new ATOM 838 N LYS A 380 4.875 1.654 -8.747 1.00 0.47 N ATOM 839 CA LYS A 380 5.770 2.679 -8.227 1.00 0.55 C ATOM 840 C LYS A 380 7.195 2.476 -8.742 1.00 0.56 C ATOM 841 O LYS A 380 8.152 2.885 -8.089 1.00 0.70 O ATOM 842 CB LYS A 380 5.764 2.661 -6.697 1.00 0.62 C ATOM 843 CG LYS A 380 4.392 2.915 -6.095 1.00 0.79 C ATOM 844 CD LYS A 380 3.805 4.237 -6.562 1.00 0.75 C ATOM 845 CE LYS A 380 4.646 5.419 -6.108 1.00 0.84 C ATOM 846 NZ LYS A 380 4.030 6.716 -6.489 1.00 1.36 N ATOM 0 H LYS A 380 4.843 0.802 -8.187 1.00 0.47 H new ATOM 0 HA LYS A 380 5.412 3.647 -8.576 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.131 1.695 -6.351 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.459 3.416 -6.330 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.719 2.102 -6.368 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.467 2.915 -5.008 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.733 4.239 -7.650 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.791 4.342 -6.175 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.772 5.381 -5.026 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.641 5.347 -6.547 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.658 7.495 -6.207 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.886 6.743 -7.519 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 3.113 6.819 -6.009 1.00 1.36 H new ATOM 860 N ASN A 381 7.309 1.822 -9.908 1.00 0.52 N ATOM 861 CA ASN A 381 8.597 1.493 -10.548 1.00 0.60 C ATOM 862 C ASN A 381 9.596 0.884 -9.562 1.00 0.59 C ATOM 863 O ASN A 381 10.808 1.080 -9.669 1.00 0.76 O ATOM 864 CB ASN A 381 9.209 2.702 -11.284 1.00 0.76 C ATOM 865 CG ASN A 381 9.556 3.882 -10.389 1.00 1.50 C ATOM 866 OD1 ASN A 381 8.778 4.831 -10.260 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.723 3.833 -9.767 1.00 2.17 N ATOM 0 H ASN A 381 6.501 1.502 -10.441 1.00 0.52 H new ATOM 0 HA ASN A 381 8.376 0.733 -11.298 1.00 0.60 H new ATOM 0 HB2 ASN A 381 10.112 2.377 -11.800 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.508 3.037 -12.049 1.00 0.76 H new ATOM 0 HD21 ASN A 381 11.007 4.598 -9.155 1.00 2.17 H new ATOM 0 HD22 ASN A 381 11.338 3.030 -9.900 1.00 2.17 H new ATOM 874 N ARG A 382 9.074 0.117 -8.623 1.00 0.49 N ATOM 875 CA ARG A 382 9.883 -0.541 -7.617 1.00 0.55 C ATOM 876 C ARG A 382 9.885 -2.046 -7.834 1.00 0.67 C ATOM 877 O ARG A 382 8.931 -2.615 -8.366 1.00 0.79 O ATOM 878 CB ARG A 382 9.364 -0.202 -6.218 1.00 0.51 C ATOM 879 CG ARG A 382 9.641 1.227 -5.802 1.00 0.70 C ATOM 880 CD ARG A 382 11.131 1.554 -5.870 1.00 1.09 C ATOM 881 NE ARG A 382 11.412 2.951 -5.522 1.00 1.88 N ATOM 882 CZ ARG A 382 12.621 3.413 -5.187 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.676 2.604 -5.177 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.778 4.694 -4.880 1.00 3.26 N ATOM 0 H ARG A 382 8.074 -0.067 -8.537 1.00 0.49 H new ATOM 0 HA ARG A 382 10.908 -0.182 -7.705 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.289 -0.380 -6.185 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.822 -0.878 -5.496 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.089 1.908 -6.449 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.279 1.388 -4.787 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.676 0.897 -5.192 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.499 1.351 -6.876 1.00 1.09 H new ATOM 0 HE ARG A 382 10.635 3.612 -5.537 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.567 1.621 -5.426 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.594 2.966 -4.920 1.00 2.40 H new ATOM 0 HH21 ARG A 382 11.977 5.325 -4.900 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.700 5.048 -4.624 1.00 3.26 H new ATOM 943 N THR A 386 8.211 -5.664 -0.650 1.00 0.33 N ATOM 944 CA THR A 386 7.609 -6.731 0.122 1.00 0.28 C ATOM 945 C THR A 386 6.578 -6.091 1.047 1.00 0.21 C ATOM 946 O THR A 386 6.687 -4.899 1.309 1.00 0.24 O ATOM 947 CB THR A 386 8.701 -7.484 0.914 1.00 0.33 C ATOM 948 OG1 THR A 386 9.409 -8.370 0.038 1.00 0.54 O ATOM 949 CG2 THR A 386 8.132 -8.256 2.084 1.00 0.26 C ATOM 0 HA THR A 386 7.120 -7.464 -0.520 1.00 0.28 H new ATOM 0 HB THR A 386 9.385 -6.739 1.321 1.00 0.33 H new ATOM 0 HG1 THR A 386 8.777 -8.994 -0.377 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.939 -8.768 2.609 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.634 -7.567 2.767 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.413 -8.990 1.720 1.00 0.26 H new ATOM 957 N TYR A 387 5.566 -6.828 1.505 1.00 0.19 N ATOM 958 CA TYR A 387 4.460 -6.197 2.221 1.00 0.17 C ATOM 959 C TYR A 387 4.941 -5.387 3.418 1.00 0.16 C ATOM 960 O TYR A 387 4.498 -4.261 3.603 1.00 0.18 O ATOM 961 CB TYR A 387 3.411 -7.190 2.679 1.00 0.19 C ATOM 962 CG TYR A 387 2.144 -6.483 3.093 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.057 -5.831 4.313 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.047 -6.443 2.251 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.913 -5.163 4.681 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.101 -5.783 2.614 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.162 -5.142 3.829 1.00 0.26 C ATOM 968 OH TYR A 387 -1.307 -4.485 4.199 1.00 0.30 O ATOM 0 H TYR A 387 5.489 -7.839 1.396 1.00 0.19 H new ATOM 0 HA TYR A 387 3.999 -5.525 1.497 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.194 -7.893 1.874 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.797 -7.773 3.515 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.902 -5.848 4.986 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.094 -6.939 1.293 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.861 -4.658 5.634 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.952 -5.767 1.949 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.980 -5.137 4.486 1.00 0.30 H new ATOM 978 N GLU A 388 5.828 -5.948 4.231 1.00 0.20 N ATOM 979 CA GLU A 388 6.392 -5.202 5.360 1.00 0.26 C ATOM 980 C GLU A 388 6.928 -3.851 4.895 1.00 0.25 C ATOM 981 O GLU A 388 6.836 -2.845 5.597 1.00 0.31 O ATOM 982 CB GLU A 388 7.510 -5.996 6.021 1.00 0.38 C ATOM 983 CG GLU A 388 7.034 -7.198 6.810 1.00 1.00 C ATOM 984 CD GLU A 388 8.181 -7.969 7.430 1.00 1.78 C ATOM 985 OE1 GLU A 388 8.921 -7.386 8.248 1.00 2.34 O ATOM 986 OE2 GLU A 388 8.344 -9.167 7.109 1.00 2.37 O ATOM 0 H GLU A 388 6.172 -6.904 4.136 1.00 0.20 H new ATOM 0 HA GLU A 388 5.597 -5.037 6.087 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.206 -6.332 5.252 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.066 -5.335 6.686 1.00 0.38 H new ATOM 0 HG2 GLU A 388 6.354 -6.868 7.596 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.467 -7.859 6.154 1.00 1.00 H new ATOM 993 N LYS A 389 7.454 -3.848 3.688 1.00 0.24 N ATOM 994 CA LYS A 389 8.014 -2.662 3.074 1.00 0.28 C ATOM 995 C LYS A 389 6.921 -1.785 2.446 1.00 0.26 C ATOM 996 O LYS A 389 7.055 -0.565 2.385 1.00 0.32 O ATOM 997 CB LYS A 389 9.082 -3.103 2.068 1.00 0.34 C ATOM 998 CG LYS A 389 10.149 -3.937 2.759 1.00 0.46 C ATOM 999 CD LYS A 389 11.218 -4.451 1.819 1.00 0.52 C ATOM 1000 CE LYS A 389 12.353 -5.073 2.617 1.00 0.72 C ATOM 1001 NZ LYS A 389 13.346 -5.747 1.749 1.00 1.62 N ATOM 0 H LYS A 389 7.505 -4.679 3.099 1.00 0.24 H new ATOM 0 HA LYS A 389 8.486 -2.032 3.828 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.620 -3.682 1.268 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.538 -2.228 1.605 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.620 -3.337 3.538 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.673 -4.784 3.253 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.793 -5.189 1.139 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.598 -3.634 1.205 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.850 -4.299 3.201 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.944 -5.794 3.325 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 14.100 -6.156 2.337 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 12.879 -6.504 1.210 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 13.757 -5.055 1.090 1.00 1.62 H new ATOM 1015 N MET A 390 5.834 -2.416 2.000 1.00 0.19 N ATOM 1016 CA MET A 390 4.695 -1.700 1.428 1.00 0.20 C ATOM 1017 C MET A 390 3.838 -1.076 2.536 1.00 0.20 C ATOM 1018 O MET A 390 3.291 0.016 2.377 1.00 0.22 O ATOM 1019 CB MET A 390 3.847 -2.659 0.583 1.00 0.18 C ATOM 1020 CG MET A 390 2.376 -2.679 0.965 1.00 0.23 C ATOM 1021 SD MET A 390 1.380 -3.681 -0.155 1.00 0.68 S ATOM 1022 CE MET A 390 -0.270 -3.190 0.336 1.00 1.18 C ATOM 0 H MET A 390 5.719 -3.429 2.025 1.00 0.19 H new ATOM 0 HA MET A 390 5.071 -0.899 0.791 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.936 -2.379 -0.467 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.251 -3.667 0.679 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.273 -3.065 1.979 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.993 -1.659 0.971 1.00 0.23 H new ATOM 0 HE1 MET A 390 -0.931 -4.057 0.309 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.243 -2.785 1.348 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.642 -2.429 -0.350 1.00 1.18 H new ATOM 1032 N SER A 391 3.743 -1.785 3.662 1.00 0.20 N ATOM 1033 CA SER A 391 2.904 -1.379 4.786 1.00 0.21 C ATOM 1034 C SER A 391 3.334 -0.028 5.338 1.00 0.18 C ATOM 1035 O SER A 391 2.561 0.650 6.007 1.00 0.18 O ATOM 1036 CB SER A 391 2.936 -2.437 5.888 1.00 0.26 C ATOM 1037 OG SER A 391 4.250 -2.652 6.369 1.00 0.64 O ATOM 0 H SER A 391 4.247 -2.658 3.819 1.00 0.20 H new ATOM 0 HA SER A 391 1.882 -1.283 4.420 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.294 -2.125 6.711 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.531 -3.374 5.505 1.00 0.26 H new ATOM 0 HG SER A 391 4.893 -2.484 5.649 1.00 0.64 H new ATOM 1043 N ARG A 392 4.572 0.349 5.053 1.00 0.19 N ATOM 1044 CA ARG A 392 5.098 1.643 5.471 1.00 0.20 C ATOM 1045 C ARG A 392 4.219 2.771 4.939 1.00 0.19 C ATOM 1046 O ARG A 392 3.995 3.771 5.619 1.00 0.23 O ATOM 1047 CB ARG A 392 6.531 1.824 4.974 1.00 0.24 C ATOM 1048 CG ARG A 392 7.569 1.027 5.739 1.00 0.52 C ATOM 1049 CD ARG A 392 7.761 1.575 7.138 1.00 0.67 C ATOM 1050 NE ARG A 392 8.121 2.997 7.135 1.00 1.31 N ATOM 1051 CZ ARG A 392 8.545 3.659 8.211 1.00 1.66 C ATOM 1052 NH1 ARG A 392 8.688 3.028 9.371 1.00 1.88 N ATOM 1053 NH2 ARG A 392 8.832 4.953 8.119 1.00 2.48 N ATOM 0 H ARG A 392 5.235 -0.225 4.532 1.00 0.19 H new ATOM 0 HA ARG A 392 5.097 1.677 6.560 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.576 1.540 3.923 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.790 2.881 5.030 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.261 -0.017 5.794 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.518 1.052 5.203 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.843 1.436 7.709 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.541 1.006 7.645 1.00 0.67 H new ATOM 0 HE ARG A 392 8.042 3.510 6.257 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.473 2.033 9.440 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.013 3.538 10.192 1.00 1.88 H new ATOM 0 HH21 ARG A 392 8.728 5.436 7.227 1.00 2.48 H new ATOM 0 HH22 ARG A 392 9.157 5.463 8.940 1.00 2.48 H new ATOM 1067 N ALA A 393 3.708 2.591 3.724 1.00 0.16 N ATOM 1068 CA ALA A 393 2.805 3.564 3.127 1.00 0.16 C ATOM 1069 C ALA A 393 1.432 3.489 3.805 1.00 0.16 C ATOM 1070 O ALA A 393 0.805 4.509 4.082 1.00 0.19 O ATOM 1071 CB ALA A 393 2.685 3.328 1.625 1.00 0.19 C ATOM 0 H ALA A 393 3.905 1.781 3.136 1.00 0.16 H new ATOM 0 HA ALA A 393 3.211 4.564 3.279 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.006 4.064 1.194 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.667 3.425 1.162 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.296 2.326 1.444 1.00 0.19 H new ATOM 1077 N LEU A 394 0.994 2.261 4.091 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.296 2.007 4.740 1.00 0.18 C ATOM 1079 C LEU A 394 -0.328 2.526 6.175 1.00 0.18 C ATOM 1080 O LEU A 394 -1.387 2.887 6.683 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.595 0.508 4.742 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.881 -0.097 3.373 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.769 -1.602 3.439 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.265 0.306 2.895 1.00 0.24 C ATOM 0 H LEU A 394 1.522 1.415 3.880 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.055 2.542 4.169 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.254 -0.015 5.183 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.453 0.326 5.389 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.146 0.281 2.663 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.975 -2.026 2.456 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.239 -1.879 3.749 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.490 -1.989 4.159 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.454 -0.134 1.916 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.013 -0.050 3.604 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.323 1.392 2.822 1.00 0.24 H new ATOM 1096 N ARG A 395 0.830 2.532 6.827 1.00 0.20 N ATOM 1097 CA ARG A 395 0.951 3.014 8.194 1.00 0.26 C ATOM 1098 C ARG A 395 0.425 4.443 8.327 1.00 0.21 C ATOM 1099 O ARG A 395 -0.097 4.828 9.374 1.00 0.22 O ATOM 1100 CB ARG A 395 2.412 2.922 8.656 1.00 0.36 C ATOM 1101 CG ARG A 395 2.596 3.159 10.141 1.00 0.94 C ATOM 1102 CD ARG A 395 1.858 2.101 10.935 1.00 0.94 C ATOM 1103 NE ARG A 395 2.602 0.846 11.039 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.256 -0.160 11.847 1.00 1.91 C ATOM 1105 NH1 ARG A 395 1.213 -0.043 12.661 1.00 1.87 N ATOM 1106 NH2 ARG A 395 2.957 -1.285 11.847 1.00 2.78 N ATOM 0 H ARG A 395 1.707 2.204 6.422 1.00 0.20 H new ATOM 0 HA ARG A 395 0.340 2.381 8.837 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.803 1.936 8.403 1.00 0.36 H new ATOM 0 HB3 ARG A 395 3.005 3.651 8.104 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.657 3.138 10.391 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.225 4.149 10.407 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.655 2.481 11.936 1.00 0.94 H new ATOM 0 HD3 ARG A 395 0.894 1.908 10.465 1.00 0.94 H new ATOM 0 HE ARG A 395 3.434 0.732 10.460 1.00 1.59 H new ATOM 0 HH11 ARG A 395 0.669 0.820 12.672 1.00 1.87 H new ATOM 0 HH12 ARG A 395 0.956 -0.816 13.275 1.00 1.87 H new ATOM 0 HH21 ARG A 395 3.763 -1.384 11.229 1.00 2.78 H new ATOM 0 HH22 ARG A 395 2.691 -2.052 12.465 1.00 2.78 H new ATOM 1120 N HIS A 396 0.547 5.223 7.258 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.002 6.569 7.236 1.00 0.19 C ATOM 1122 C HIS A 396 -1.517 6.521 7.120 1.00 0.16 C ATOM 1123 O HIS A 396 -2.222 7.314 7.740 1.00 0.22 O ATOM 1124 CB HIS A 396 0.603 7.376 6.086 1.00 0.24 C ATOM 1125 CG HIS A 396 2.062 7.658 6.276 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.494 8.709 7.053 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.139 6.991 5.796 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.816 8.654 7.032 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.251 7.630 6.285 1.00 1.17 N ATOM 0 H HIS A 396 1.021 4.945 6.399 1.00 0.20 H new ATOM 0 HA HIS A 396 0.255 7.064 8.172 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.462 6.831 5.153 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.065 8.319 5.989 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.914 9.390 7.544 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.125 6.124 5.153 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.462 9.346 7.551 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.016 5.538 6.379 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.437 5.461 6.057 1.00 0.15 C ATOM 1139 C TYR A 397 -4.254 5.139 7.295 1.00 0.18 C ATOM 1140 O TYR A 397 -5.445 5.449 7.357 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.697 4.405 4.977 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.074 4.725 3.631 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.018 5.621 3.513 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.547 4.126 2.477 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.460 5.913 2.294 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.992 4.411 1.251 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.947 5.308 1.163 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.396 5.611 -0.058 1.00 0.35 O ATOM 0 H TYR A 397 -1.455 4.781 5.989 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.743 6.435 5.676 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.313 3.445 5.323 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.773 4.290 4.848 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.628 6.098 4.400 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.365 3.424 2.540 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.642 6.615 2.225 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.373 3.934 0.360 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.429 5.737 0.042 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.610 4.513 8.273 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.250 4.215 9.545 1.00 0.29 C ATOM 1160 C TYR A 398 -4.594 5.507 10.265 1.00 0.31 C ATOM 1161 O TYR A 398 -5.644 5.633 10.890 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.335 3.362 10.423 1.00 0.33 C ATOM 1163 CG TYR A 398 -2.930 2.068 9.766 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -3.825 1.377 8.969 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.655 1.548 9.929 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.466 0.204 8.352 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.284 0.368 9.313 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.195 -0.299 8.523 1.00 0.50 C ATOM 1169 OH TYR A 398 -1.836 -1.478 7.910 1.00 0.60 O ATOM 0 H TYR A 398 -2.641 4.202 8.207 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.164 3.655 9.349 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.440 3.934 10.670 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.842 3.143 11.363 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -4.823 1.767 8.830 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.941 2.073 10.547 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.178 -0.323 7.734 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.289 -0.028 9.450 1.00 0.49 H new ATOM 0 HH TYR A 398 -0.906 -1.692 8.132 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.699 6.476 10.144 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.855 7.754 10.816 1.00 0.32 C ATOM 1181 C LYS A 399 -4.759 8.664 10.009 1.00 0.29 C ATOM 1182 O LYS A 399 -5.490 9.485 10.557 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.493 8.408 11.005 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.420 7.437 11.480 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.905 6.562 12.630 1.00 0.68 C ATOM 1186 CE LYS A 399 -2.265 7.380 13.858 1.00 1.31 C ATOM 1187 NZ LYS A 399 -2.902 6.546 14.908 1.00 1.98 N ATOM 0 H LYS A 399 -2.851 6.399 9.582 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.309 7.586 11.792 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.178 8.854 10.062 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.584 9.220 11.727 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.112 6.803 10.648 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.540 7.997 11.797 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.775 5.990 12.308 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -1.129 5.842 12.889 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.366 7.847 14.260 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.942 8.185 13.573 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -3.133 7.140 15.730 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -3.773 6.121 14.532 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -2.246 5.793 15.198 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.714 8.494 8.697 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.574 9.240 7.794 1.00 0.23 C ATOM 1203 C LEU A 400 -6.973 8.656 7.805 1.00 0.22 C ATOM 1204 O LEU A 400 -7.856 9.111 7.077 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.030 9.162 6.378 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.547 9.449 6.242 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -2.989 8.732 5.037 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.308 10.932 6.122 1.00 0.36 C ATOM 0 H LEU A 400 -4.085 7.840 8.231 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.604 10.278 8.126 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.229 8.166 5.983 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.579 9.868 5.755 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.038 9.087 7.135 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -1.924 8.945 4.948 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.136 7.658 5.152 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.503 9.075 4.139 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.239 11.122 6.025 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -3.825 11.314 5.242 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.686 11.435 7.012 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.133 7.613 8.629 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.380 6.858 8.764 1.00 0.24 C ATOM 1222 C ASN A 401 -8.956 6.501 7.398 1.00 0.19 C ATOM 1223 O ASN A 401 -10.156 6.608 7.155 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.409 7.565 9.675 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.483 9.071 9.506 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.275 9.586 8.718 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.635 9.791 10.231 1.00 1.24 N ATOM 0 H ASN A 401 -6.385 7.266 9.230 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.137 5.923 9.268 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.395 7.143 9.480 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.166 7.342 10.714 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.626 10.807 10.145 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.993 9.328 10.874 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.062 6.103 6.503 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.433 5.605 5.186 1.00 0.13 C ATOM 1236 C ILE A 402 -8.638 4.106 5.257 1.00 0.13 C ATOM 1237 O ILE A 402 -9.607 3.566 4.730 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.328 5.907 4.151 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.135 7.416 4.022 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.651 5.283 2.792 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.889 7.793 3.259 1.00 0.14 C ATOM 0 H ILE A 402 -7.056 6.117 6.671 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.352 6.103 4.877 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.398 5.460 4.502 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.003 7.845 3.522 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.091 7.857 5.018 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.853 5.515 2.086 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.738 4.202 2.899 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.593 5.687 2.420 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.811 8.879 3.203 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.014 7.392 3.770 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.941 7.381 2.251 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.717 3.451 5.940 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.700 2.007 6.029 1.00 0.14 C ATOM 1255 C ILE A 403 -7.429 1.580 7.462 1.00 0.17 C ATOM 1256 O ILE A 403 -6.581 2.158 8.136 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.610 1.417 5.104 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.934 1.716 3.637 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.461 -0.080 5.326 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.804 1.394 2.684 1.00 0.20 C ATOM 0 H ILE A 403 -6.960 3.908 6.448 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.673 1.632 5.712 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.660 1.890 5.352 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.816 1.146 3.346 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.190 2.771 3.539 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.689 -0.471 4.664 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.180 -0.268 6.362 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.408 -0.576 5.111 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.108 1.632 1.665 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.926 1.984 2.948 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.562 0.333 2.752 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.175 0.594 7.927 1.00 0.14 N ATOM 1273 CA ARG A 404 -7.934 0.004 9.232 1.00 0.18 C ATOM 1274 C ARG A 404 -8.051 -1.503 9.118 1.00 0.20 C ATOM 1275 O ARG A 404 -8.619 -2.005 8.151 1.00 0.28 O ATOM 1276 CB ARG A 404 -8.935 0.535 10.261 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.334 -0.039 10.117 1.00 0.45 C ATOM 1278 CD ARG A 404 -10.744 -0.774 11.383 1.00 0.76 C ATOM 1279 NE ARG A 404 -11.986 -1.528 11.216 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.018 -1.473 12.056 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.004 -0.643 13.089 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.070 -2.257 11.856 1.00 2.08 N ATOM 0 H ARG A 404 -8.957 0.183 7.417 1.00 0.14 H new ATOM 0 HA ARG A 404 -6.933 0.273 9.568 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.564 0.313 11.262 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -8.988 1.620 10.174 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.042 0.763 9.910 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.367 -0.721 9.267 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -9.946 -1.455 11.678 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -10.865 -0.055 12.193 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.067 -2.137 10.402 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.198 -0.039 13.247 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -13.800 -0.609 13.726 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.085 -2.897 11.062 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -14.863 -2.219 12.496 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.519 -2.218 10.091 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.606 -3.669 10.089 1.00 0.26 C ATOM 1298 C LYS A 405 -8.876 -4.120 10.793 1.00 0.27 C ATOM 1299 O LYS A 405 -9.150 -3.700 11.923 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.392 -4.295 10.780 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.099 -4.166 9.998 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.984 -4.975 10.645 1.00 0.69 C ATOM 1303 CE LYS A 405 -2.689 -4.903 9.847 1.00 1.31 C ATOM 1304 NZ LYS A 405 -1.618 -5.746 10.451 1.00 1.73 N ATOM 0 H LYS A 405 -7.024 -1.822 10.890 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.626 -4.001 9.051 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.262 -3.827 11.756 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.593 -5.352 10.957 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.254 -4.508 8.975 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.807 -3.117 9.943 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.808 -4.606 11.655 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.297 -6.015 10.735 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -2.874 -5.229 8.824 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -2.351 -3.868 9.795 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -0.753 -5.670 9.879 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -1.423 -5.419 11.419 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.930 -6.738 10.477 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.655 -4.964 10.125 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.843 -5.530 10.725 1.00 0.27 C ATOM 1320 C GLU A 406 -10.507 -6.312 11.978 1.00 0.29 C ATOM 1321 O GLU A 406 -9.515 -7.043 12.031 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.583 -6.405 9.755 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.445 -5.605 8.816 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.128 -4.427 9.488 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.166 -4.634 10.150 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.649 -3.285 9.351 1.00 0.81 O ATOM 0 H GLU A 406 -9.479 -5.267 9.167 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.490 -4.697 11.000 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.868 -6.992 9.179 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.205 -7.111 10.305 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.832 -5.240 7.992 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.203 -6.258 8.384 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.348 -6.162 12.999 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.083 -6.698 14.332 1.00 0.38 C ATOM 1335 C PRO A 407 -11.070 -8.223 14.376 1.00 0.41 C ATOM 1336 O PRO A 407 -12.120 -8.869 14.326 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.261 -6.144 15.144 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.345 -5.965 14.142 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.642 -5.472 12.920 1.00 0.45 C ATOM 0 HA PRO A 407 -10.098 -6.414 14.703 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.559 -6.834 15.934 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.004 -5.200 15.625 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.867 -6.902 13.949 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.091 -5.250 14.487 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.183 -5.728 12.009 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.525 -4.388 12.928 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.875 -8.778 14.516 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.716 -10.197 14.718 1.00 0.60 C ATOM 1349 C GLY A 408 -9.103 -10.871 13.512 1.00 0.56 C ATOM 1350 O GLY A 408 -8.882 -12.083 13.509 1.00 0.66 O ATOM 0 H GLY A 408 -8.999 -8.256 14.492 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -9.087 -10.372 15.591 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.687 -10.645 14.930 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.798 -10.084 12.491 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.313 -10.635 11.243 1.00 0.52 C ATOM 1356 C GLN A 409 -6.875 -10.241 10.940 1.00 0.48 C ATOM 1357 O GLN A 409 -6.364 -9.247 11.457 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.212 -10.223 10.084 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.571 -10.891 10.113 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.621 -10.143 10.899 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -11.783 -10.350 12.096 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.383 -9.307 10.216 1.00 1.10 N ATOM 0 H GLN A 409 -8.879 -9.067 12.505 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.337 -11.718 11.360 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.346 -9.141 10.104 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.716 -10.465 9.144 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.922 -11.015 9.089 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -10.462 -11.890 10.536 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.216 -9.162 9.220 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.138 -8.807 10.685 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.229 -11.059 10.118 1.00 0.44 N ATOM 1372 CA ARG A 410 -4.874 -10.794 9.648 1.00 0.41 C ATOM 1373 C ARG A 410 -4.807 -9.541 8.763 1.00 0.34 C ATOM 1374 O ARG A 410 -4.629 -8.430 9.262 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.290 -12.012 8.897 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.308 -13.024 8.348 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.375 -12.379 7.468 1.00 0.62 C ATOM 1378 NE ARG A 410 -7.022 -13.332 6.567 1.00 0.96 N ATOM 1379 CZ ARG A 410 -7.974 -14.194 6.926 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -8.367 -14.282 8.192 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -8.519 -14.989 6.016 1.00 2.29 N ATOM 0 H ARG A 410 -6.630 -11.925 9.758 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.266 -10.610 10.534 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -3.689 -11.645 8.065 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -3.614 -12.538 9.571 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -4.781 -13.785 7.772 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -5.792 -13.533 9.182 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.131 -11.916 8.102 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -5.920 -11.582 6.880 1.00 0.62 H new ATOM 0 HE ARG A 410 -6.723 -13.338 5.592 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -7.940 -13.686 8.901 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -9.096 -14.945 8.455 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -8.210 -14.940 5.045 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -9.247 -15.650 6.287 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.967 -9.722 7.455 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.855 -8.623 6.510 1.00 0.15 C ATOM 1397 C LEU A 411 -6.219 -8.220 5.973 1.00 0.11 C ATOM 1398 O LEU A 411 -6.345 -7.767 4.834 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.905 -8.968 5.364 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.443 -9.128 5.771 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.957 -10.545 5.513 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.583 -8.132 5.018 1.00 0.16 C ATOM 0 H LEU A 411 -5.175 -10.624 7.027 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.437 -7.772 7.048 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.241 -9.894 4.898 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.973 -8.187 4.606 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.362 -8.933 6.840 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.912 -10.631 5.812 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.559 -11.247 6.090 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.051 -10.774 4.452 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.541 -8.253 5.315 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.678 -8.307 3.946 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.911 -7.119 5.251 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.244 -8.419 6.786 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.565 -7.923 6.460 1.00 0.10 C ATOM 1416 C LEU A 412 -8.664 -6.478 6.881 1.00 0.09 C ATOM 1417 O LEU A 412 -8.474 -6.149 8.048 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.646 -8.733 7.156 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.812 -9.146 6.276 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.081 -8.088 5.240 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.523 -10.470 5.611 1.00 0.15 C ATOM 0 H LEU A 412 -7.184 -8.919 7.673 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.716 -8.015 5.384 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.192 -9.631 7.575 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.032 -8.151 7.993 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.699 -9.257 6.900 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.919 -8.396 4.615 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.323 -7.147 5.735 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.195 -7.954 4.619 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.368 -10.754 4.983 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.628 -10.380 4.996 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.365 -11.233 6.373 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.952 -5.627 5.926 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.933 -4.193 6.158 1.00 0.10 C ATOM 1435 C PHE A 413 -10.263 -3.569 5.771 1.00 0.09 C ATOM 1436 O PHE A 413 -11.157 -4.242 5.258 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.823 -3.505 5.353 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.440 -4.069 5.528 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.099 -4.820 6.638 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.479 -3.842 4.564 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.826 -5.332 6.782 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.209 -4.349 4.703 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.880 -5.097 5.812 1.00 0.14 C ATOM 0 H PHE A 413 -9.204 -5.899 4.976 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.746 -4.048 7.222 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.084 -3.554 4.296 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.802 -2.450 5.627 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.839 -5.008 7.402 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.728 -3.259 3.690 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.573 -5.916 7.655 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.467 -4.160 3.941 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.883 -5.497 5.919 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.371 -2.276 6.004 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.573 -1.531 5.692 1.00 0.10 C ATOM 1455 C ARG A 414 -11.229 -0.198 5.042 1.00 0.09 C ATOM 1456 O ARG A 414 -10.458 0.585 5.600 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.367 -1.283 6.972 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.624 -0.465 6.771 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.375 -0.297 8.078 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.748 -1.583 8.667 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.003 -1.945 8.938 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.012 -1.119 8.682 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.247 -3.137 9.467 1.00 2.09 N ATOM 0 H ARG A 414 -9.627 -1.712 6.415 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.171 -2.115 4.992 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.638 -2.243 7.411 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.726 -0.773 7.691 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.365 0.514 6.367 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.267 -0.952 6.038 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.756 0.258 8.783 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.273 0.297 7.906 1.00 0.35 H new ATOM 0 HE ARG A 414 -14.002 -2.244 8.884 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.829 -0.201 8.276 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.969 -1.403 8.892 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.476 -3.774 9.666 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.206 -3.416 9.675 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.788 0.050 3.864 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.681 1.356 3.234 1.00 0.11 C ATOM 1479 C PHE A 415 -12.720 2.298 3.830 1.00 0.12 C ATOM 1480 O PHE A 415 -13.907 2.215 3.514 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.868 1.267 1.714 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.601 1.001 0.950 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.625 1.978 0.856 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.392 -0.212 0.313 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.464 1.752 0.148 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.227 -0.447 -0.398 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.262 0.540 -0.480 1.00 0.21 C ATOM 0 H PHE A 415 -12.319 -0.636 3.328 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.679 1.742 3.424 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.584 0.476 1.493 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.304 2.200 1.358 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.775 2.930 1.344 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.146 -0.983 0.372 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.712 2.524 0.085 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -9.073 -1.398 -0.887 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.352 0.363 -1.034 1.00 0.21 H new ATOM 1497 N MET A 416 -12.277 3.177 4.711 1.00 0.14 N ATOM 1498 CA MET A 416 -13.181 4.109 5.372 1.00 0.17 C ATOM 1499 C MET A 416 -13.585 5.237 4.425 1.00 0.20 C ATOM 1500 O MET A 416 -14.588 5.920 4.645 1.00 0.29 O ATOM 1501 CB MET A 416 -12.534 4.676 6.637 1.00 0.23 C ATOM 1502 CG MET A 416 -12.247 3.618 7.693 1.00 0.30 C ATOM 1503 SD MET A 416 -11.468 4.290 9.176 1.00 1.30 S ATOM 1504 CE MET A 416 -12.723 5.443 9.732 1.00 1.23 C ATOM 0 H MET A 416 -11.299 3.267 4.987 1.00 0.14 H new ATOM 0 HA MET A 416 -14.082 3.566 5.658 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.602 5.173 6.368 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.189 5.436 7.063 1.00 0.23 H new ATOM 0 HG2 MET A 416 -13.180 3.128 7.970 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.600 2.852 7.265 1.00 0.30 H new ATOM 0 HE1 MET A 416 -12.569 5.668 10.787 1.00 1.23 H new ATOM 0 HE2 MET A 416 -12.655 6.363 9.151 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.710 5.000 9.596 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.797 5.429 3.373 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.104 6.414 2.351 1.00 0.21 C ATOM 1516 C LYS A 417 -12.375 6.093 1.052 1.00 0.22 C ATOM 1517 O LYS A 417 -11.363 5.391 1.049 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.748 7.818 2.836 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.326 7.967 3.340 1.00 0.18 C ATOM 1520 CD LYS A 417 -11.010 9.423 3.643 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.916 9.569 4.683 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.351 9.079 6.018 1.00 0.61 N ATOM 0 H LYS A 417 -11.935 4.909 3.208 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.176 6.379 2.155 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.906 8.522 2.019 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.435 8.098 3.635 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.189 7.366 4.239 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.629 7.587 2.593 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.705 9.925 2.725 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.912 9.923 3.995 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.034 9.014 4.362 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.624 10.616 4.758 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.690 9.420 6.745 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.306 9.434 6.224 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.361 8.039 6.020 1.00 0.61 H new ATOM 1536 N THR A 418 -12.909 6.611 -0.039 1.00 0.24 N ATOM 1537 CA THR A 418 -12.394 6.338 -1.374 1.00 0.26 C ATOM 1538 C THR A 418 -11.514 7.485 -1.881 1.00 0.23 C ATOM 1539 O THR A 418 -11.429 8.530 -1.234 1.00 0.21 O ATOM 1540 CB THR A 418 -13.556 6.109 -2.361 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.488 7.199 -2.294 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.264 4.794 -2.072 1.00 0.40 C ATOM 0 H THR A 418 -13.715 7.236 -0.027 1.00 0.24 H new ATOM 0 HA THR A 418 -11.784 5.437 -1.311 1.00 0.26 H new ATOM 0 HB THR A 418 -13.142 6.059 -3.368 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.033 7.114 -1.484 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.080 4.656 -2.782 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.556 3.971 -2.168 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.664 4.811 -1.058 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.847 7.293 -3.047 1.00 0.24 N ATOM 1551 CA PRO A 419 -9.980 8.299 -3.679 1.00 0.24 C ATOM 1552 C PRO A 419 -10.506 9.722 -3.571 1.00 0.28 C ATOM 1553 O PRO A 419 -9.812 10.620 -3.092 1.00 0.28 O ATOM 1554 CB PRO A 419 -9.991 7.860 -5.140 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.069 6.376 -5.076 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.871 6.047 -3.844 1.00 0.28 C ATOM 0 HA PRO A 419 -9.000 8.337 -3.204 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.842 8.281 -5.676 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.092 8.189 -5.661 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.546 5.973 -5.969 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.073 5.936 -5.020 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.891 5.758 -4.099 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.432 5.215 -3.294 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.741 9.910 -4.006 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.339 11.243 -4.067 1.00 0.43 C ATOM 1566 C ASP A 420 -12.431 11.853 -2.675 1.00 0.40 C ATOM 1567 O ASP A 420 -12.163 13.040 -2.487 1.00 0.44 O ATOM 1568 CB ASP A 420 -13.730 11.187 -4.702 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.290 12.569 -4.995 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.887 13.186 -4.087 1.00 0.85 O ATOM 1571 OD2 ASP A 420 -14.132 13.045 -6.141 1.00 0.84 O ATOM 0 H ASP A 420 -12.353 9.159 -4.323 1.00 0.34 H new ATOM 0 HA ASP A 420 -11.697 11.870 -4.686 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -13.681 10.614 -5.628 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.410 10.657 -4.035 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.786 11.023 -1.702 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.937 11.466 -0.323 1.00 0.35 C ATOM 1578 C GLU A 421 -11.587 11.836 0.287 1.00 0.32 C ATOM 1579 O GLU A 421 -11.482 12.778 1.072 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.588 10.366 0.508 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.021 10.084 0.110 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.556 8.812 0.733 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.408 7.733 0.118 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.108 8.878 1.850 1.00 0.51 O ATOM 0 H GLU A 421 -12.976 10.031 -1.845 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.571 12.352 -0.320 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.004 9.451 0.409 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.559 10.650 1.560 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.649 10.923 0.408 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.085 10.008 -0.975 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.557 11.085 -0.080 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.226 11.289 0.478 1.00 0.24 C ATOM 1593 C ILE A 422 -8.553 12.514 -0.130 1.00 0.29 C ATOM 1594 O ILE A 422 -7.759 13.189 0.532 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.330 10.056 0.264 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.059 8.798 0.734 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.015 10.226 1.020 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.402 7.511 0.296 1.00 0.18 C ATOM 0 H ILE A 422 -10.617 10.329 -0.762 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.355 11.449 1.549 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.107 9.955 -0.798 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.121 8.811 1.822 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.081 8.820 0.356 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.388 9.348 0.862 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.497 11.112 0.654 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.219 10.339 2.085 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.978 6.664 0.668 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.364 7.474 -0.793 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.389 7.465 0.696 1.00 0.18 H new ATOM 1610 N MET A 423 -8.859 12.797 -1.394 1.00 0.36 N ATOM 1611 CA MET A 423 -8.323 13.979 -2.054 1.00 0.46 C ATOM 1612 C MET A 423 -8.860 15.238 -1.394 1.00 0.55 C ATOM 1613 O MET A 423 -8.232 16.296 -1.436 1.00 0.71 O ATOM 1614 CB MET A 423 -8.654 13.965 -3.545 1.00 0.56 C ATOM 1615 CG MET A 423 -7.952 12.850 -4.299 1.00 0.59 C ATOM 1616 SD MET A 423 -8.176 12.953 -6.085 1.00 0.83 S ATOM 1617 CE MET A 423 -7.412 14.538 -6.430 1.00 1.83 C ATOM 0 H MET A 423 -9.472 12.226 -1.977 1.00 0.36 H new ATOM 0 HA MET A 423 -7.238 13.970 -1.952 1.00 0.46 H new ATOM 0 HB2 MET A 423 -9.731 13.859 -3.671 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.375 14.924 -3.982 1.00 0.56 H new ATOM 0 HG2 MET A 423 -6.887 12.880 -4.070 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.327 11.889 -3.947 1.00 0.59 H new ATOM 0 HE1 MET A 423 -7.100 14.572 -7.474 1.00 1.83 H new ATOM 0 HE2 MET A 423 -8.129 15.337 -6.239 1.00 1.83 H new ATOM 0 HE3 MET A 423 -6.542 14.670 -5.787 1.00 1.83 H new ATOM 1627 N SER A 424 -10.019 15.110 -0.764 1.00 0.60 N ATOM 1628 CA SER A 424 -10.588 16.158 0.039 1.00 0.72 C ATOM 1629 C SER A 424 -9.930 16.192 1.426 1.00 0.74 C ATOM 1630 O SER A 424 -10.494 16.731 2.380 1.00 0.94 O ATOM 1631 CB SER A 424 -12.081 15.888 0.168 1.00 1.07 C ATOM 1632 OG SER A 424 -12.652 15.573 -1.094 1.00 1.70 O ATOM 0 H SER A 424 -10.588 14.264 -0.803 1.00 0.60 H new ATOM 0 HA SER A 424 -10.417 17.126 -0.431 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.247 15.064 0.862 1.00 1.07 H new ATOM 0 HB3 SER A 424 -12.578 16.763 0.588 1.00 1.07 H new ATOM 0 HG SER A 424 -12.421 14.652 -1.337 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.741 15.605 1.534 1.00 0.81 N ATOM 1639 CA GLY A 425 -8.077 15.516 2.814 1.00 1.23 C ATOM 1640 C GLY A 425 -6.568 15.690 2.738 1.00 0.79 C ATOM 1641 O GLY A 425 -6.071 16.810 2.609 1.00 1.10 O ATOM 0 H GLY A 425 -8.229 15.191 0.755 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -8.488 16.276 3.479 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -8.299 14.547 3.261 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.837 14.576 2.797 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.396 14.616 3.051 1.00 0.47 C ATOM 1647 C ARG A 426 -3.586 13.901 1.971 1.00 0.40 C ATOM 1648 O ARG A 426 -2.565 13.279 2.266 1.00 0.47 O ATOM 1649 CB ARG A 426 -4.101 13.960 4.400 1.00 0.94 C ATOM 1650 CG ARG A 426 -4.960 14.476 5.529 1.00 1.03 C ATOM 1651 CD ARG A 426 -4.776 15.969 5.728 1.00 1.41 C ATOM 1652 NE ARG A 426 -5.854 16.561 6.513 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.375 17.758 6.261 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -5.885 18.502 5.275 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.374 18.213 7.003 1.00 2.85 N ATOM 0 H ARG A 426 -6.217 13.638 2.673 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.100 15.665 3.049 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -4.245 12.883 4.309 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -3.053 14.121 4.651 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -6.008 14.262 5.318 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -4.707 13.951 6.450 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -3.824 16.152 6.226 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -4.726 16.459 4.756 1.00 1.41 H new ATOM 0 HE ARG A 426 -6.228 16.028 7.298 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.109 18.155 4.711 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.285 19.420 5.082 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -7.742 17.645 7.766 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -7.775 19.131 6.811 1.00 2.85 H new ATOM 1669 N THR A 427 -4.016 13.996 0.724 1.00 0.36 N ATOM 1670 CA THR A 427 -3.335 13.290 -0.358 1.00 0.33 C ATOM 1671 C THR A 427 -2.008 13.951 -0.720 1.00 0.37 C ATOM 1672 O THR A 427 -1.108 13.296 -1.242 1.00 0.38 O ATOM 1673 CB THR A 427 -4.213 13.183 -1.617 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.759 14.463 -1.970 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.339 12.193 -1.401 1.00 0.33 C ATOM 0 H THR A 427 -4.824 14.547 0.434 1.00 0.36 H new ATOM 0 HA THR A 427 -3.136 12.285 0.015 1.00 0.33 H new ATOM 0 HB THR A 427 -3.582 12.832 -2.433 1.00 0.35 H new ATOM 0 HG1 THR A 427 -5.177 14.408 -2.854 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.948 12.132 -2.303 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.922 11.211 -1.178 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.958 12.523 -0.567 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.890 15.239 -0.423 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.675 16.001 -0.726 1.00 0.54 C ATOM 1685 C ASP A 428 0.535 15.428 0.006 1.00 0.55 C ATOM 1686 O ASP A 428 1.640 15.377 -0.536 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.863 17.479 -0.361 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.309 17.681 1.077 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -2.506 17.463 1.369 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.473 18.068 1.925 1.00 1.76 O ATOM 0 H ASP A 428 -2.623 15.785 0.030 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.491 15.922 -1.798 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.075 18.010 -0.523 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.600 17.922 -1.030 1.00 0.67 H new ATOM 1695 N ARG A 429 0.313 14.975 1.228 1.00 0.54 N ATOM 1696 CA ARG A 429 1.380 14.418 2.047 1.00 0.58 C ATOM 1697 C ARG A 429 1.706 13.004 1.599 1.00 0.45 C ATOM 1698 O ARG A 429 2.844 12.563 1.690 1.00 0.46 O ATOM 1699 CB ARG A 429 0.958 14.425 3.515 1.00 0.72 C ATOM 1700 CG ARG A 429 2.095 14.166 4.486 1.00 0.88 C ATOM 1701 CD ARG A 429 1.608 14.238 5.921 1.00 1.22 C ATOM 1702 NE ARG A 429 0.865 15.470 6.176 1.00 1.86 N ATOM 1703 CZ ARG A 429 0.391 15.823 7.367 1.00 2.48 C ATOM 1704 NH1 ARG A 429 0.609 15.055 8.426 1.00 2.68 N ATOM 1705 NH2 ARG A 429 -0.302 16.946 7.489 1.00 3.43 N ATOM 0 H ARG A 429 -0.602 14.982 1.679 1.00 0.54 H new ATOM 0 HA ARG A 429 2.274 15.030 1.930 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.508 15.390 3.748 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.187 13.669 3.664 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.527 13.184 4.293 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.887 14.899 4.329 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.972 13.378 6.134 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.460 14.180 6.598 1.00 1.22 H new ATOM 0 HE ARG A 429 0.699 16.099 5.390 1.00 1.86 H new ATOM 0 HH11 ARG A 429 1.142 14.191 8.328 1.00 2.68 H new ATOM 0 HH12 ARG A 429 0.244 15.329 9.338 1.00 2.68 H new ATOM 0 HH21 ARG A 429 -0.469 17.534 6.672 1.00 3.43 H new ATOM 0 HH22 ARG A 429 -0.669 17.223 8.400 1.00 3.43 H new ATOM 1719 N LEU A 430 0.702 12.309 1.094 1.00 0.38 N ATOM 1720 CA LEU A 430 0.860 10.940 0.636 1.00 0.32 C ATOM 1721 C LEU A 430 1.581 10.901 -0.701 1.00 0.30 C ATOM 1722 O LEU A 430 2.466 10.075 -0.920 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.505 10.291 0.504 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.324 10.230 1.786 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.722 9.732 1.471 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.642 9.326 2.804 1.00 0.61 C ATOM 0 H LEU A 430 -0.244 12.677 0.990 1.00 0.38 H new ATOM 0 HA LEU A 430 1.457 10.393 1.365 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.077 10.836 -0.247 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.372 9.276 0.129 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.397 11.228 2.217 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.308 9.688 2.389 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.201 10.413 0.767 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.663 8.737 1.031 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.238 9.291 3.716 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.548 8.321 2.393 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.349 9.718 3.033 1.00 0.61 H new ATOM 1738 N GLU A 431 1.191 11.807 -1.589 1.00 0.31 N ATOM 1739 CA GLU A 431 1.852 11.969 -2.876 1.00 0.35 C ATOM 1740 C GLU A 431 3.319 12.302 -2.677 1.00 0.39 C ATOM 1741 O GLU A 431 4.176 11.956 -3.491 1.00 0.44 O ATOM 1742 CB GLU A 431 1.165 13.070 -3.663 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.019 12.576 -4.466 1.00 0.50 C ATOM 1744 CD GLU A 431 0.410 11.904 -5.757 1.00 1.35 C ATOM 1745 OE1 GLU A 431 1.289 12.460 -6.453 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.142 10.842 -6.099 1.00 2.30 O ATOM 0 H GLU A 431 0.411 12.447 -1.438 1.00 0.31 H new ATOM 0 HA GLU A 431 1.785 11.034 -3.433 1.00 0.35 H new ATOM 0 HB2 GLU A 431 0.831 13.846 -2.975 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.887 13.531 -4.337 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.596 11.873 -3.866 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.677 13.414 -4.695 1.00 0.50 H new ATOM 1753 N HIS A 432 3.588 12.993 -1.584 1.00 0.39 N ATOM 1754 CA HIS A 432 4.942 13.324 -1.190 1.00 0.45 C ATOM 1755 C HIS A 432 5.592 12.132 -0.488 1.00 0.44 C ATOM 1756 O HIS A 432 6.800 11.918 -0.580 1.00 0.52 O ATOM 1757 CB HIS A 432 4.911 14.532 -0.251 1.00 0.50 C ATOM 1758 CG HIS A 432 6.238 15.205 -0.087 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.794 16.006 -1.060 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.120 15.202 0.941 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.957 16.465 -0.640 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.177 15.993 0.570 1.00 0.77 N ATOM 0 H HIS A 432 2.872 13.340 -0.945 1.00 0.39 H new ATOM 0 HA HIS A 432 5.528 13.566 -2.076 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.191 15.257 -0.631 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.554 14.211 0.727 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.011 14.675 1.878 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.617 17.117 -1.194 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.001 16.185 1.139 1.00 0.77 H new ATOM 1771 N LEU A 433 4.765 11.358 0.204 1.00 0.39 N ATOM 1772 CA LEU A 433 5.232 10.263 1.036 1.00 0.40 C ATOM 1773 C LEU A 433 5.663 9.067 0.205 1.00 0.36 C ATOM 1774 O LEU A 433 6.657 8.440 0.535 1.00 0.35 O ATOM 1775 CB LEU A 433 4.138 9.836 2.021 1.00 0.53 C ATOM 1776 CG LEU A 433 4.635 9.278 3.358 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.309 7.924 3.184 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.597 10.260 4.000 1.00 0.73 C ATOM 0 H LEU A 433 3.752 11.474 0.202 1.00 0.39 H new ATOM 0 HA LEU A 433 6.100 10.624 1.588 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.498 10.696 2.221 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.516 9.081 1.541 1.00 0.53 H new ATOM 0 HG LEU A 433 3.770 9.138 4.006 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.649 7.559 4.153 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.598 7.216 2.759 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.164 8.026 2.515 1.00 0.91 H new ATOM 0 HD21 LEU A 433 5.947 9.858 4.951 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.448 10.421 3.338 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.088 11.208 4.173 1.00 0.73 H new ATOM 1790 N GLU A 434 4.924 8.744 -0.855 1.00 0.40 N ATOM 1791 CA GLU A 434 5.222 7.544 -1.638 1.00 0.45 C ATOM 1792 C GLU A 434 6.683 7.479 -2.045 1.00 0.45 C ATOM 1793 O GLU A 434 7.331 6.466 -1.848 1.00 0.56 O ATOM 1794 CB GLU A 434 4.323 7.416 -2.858 1.00 0.66 C ATOM 1795 CG GLU A 434 2.933 6.935 -2.500 1.00 0.80 C ATOM 1796 CD GLU A 434 2.108 6.550 -3.712 1.00 1.20 C ATOM 1797 OE1 GLU A 434 2.143 7.286 -4.722 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.452 5.491 -3.667 1.00 1.47 O ATOM 0 H GLU A 434 4.127 9.286 -1.188 1.00 0.40 H new ATOM 0 HA GLU A 434 5.017 6.697 -0.984 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.253 8.382 -3.358 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.774 6.722 -3.567 1.00 0.66 H new ATOM 0 HG2 GLU A 434 3.012 6.076 -1.834 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.414 7.719 -1.949 1.00 0.80 H new ATOM 1805 N SER A 435 7.216 8.567 -2.558 1.00 0.46 N ATOM 1806 CA SER A 435 8.608 8.607 -2.940 1.00 0.53 C ATOM 1807 C SER A 435 9.506 8.429 -1.723 1.00 0.50 C ATOM 1808 O SER A 435 10.588 7.840 -1.801 1.00 0.58 O ATOM 1809 CB SER A 435 8.887 9.942 -3.582 1.00 0.62 C ATOM 1810 OG SER A 435 7.899 10.893 -3.209 1.00 1.01 O ATOM 0 H SER A 435 6.705 9.435 -2.720 1.00 0.46 H new ATOM 0 HA SER A 435 8.815 7.796 -3.638 1.00 0.53 H new ATOM 0 HB2 SER A 435 9.873 10.297 -3.282 1.00 0.62 H new ATOM 0 HB3 SER A 435 8.904 9.834 -4.666 1.00 0.62 H new ATOM 0 HG SER A 435 7.838 10.935 -2.232 1.00 1.01 H new ATOM 1816 N GLN A 436 9.025 8.929 -0.597 1.00 0.43 N ATOM 1817 CA GLN A 436 9.790 8.942 0.637 1.00 0.48 C ATOM 1818 C GLN A 436 9.830 7.563 1.270 1.00 0.45 C ATOM 1819 O GLN A 436 10.893 7.084 1.605 1.00 0.51 O ATOM 1820 CB GLN A 436 9.230 9.964 1.624 1.00 0.52 C ATOM 1821 CG GLN A 436 9.380 11.399 1.152 1.00 0.77 C ATOM 1822 CD GLN A 436 9.119 12.416 2.246 1.00 0.77 C ATOM 1823 OE1 GLN A 436 9.661 13.521 2.216 1.00 1.27 O ATOM 1824 NE2 GLN A 436 8.302 12.053 3.221 1.00 1.38 N ATOM 0 H GLN A 436 8.094 9.337 -0.513 1.00 0.43 H new ATOM 0 HA GLN A 436 10.810 9.234 0.386 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.174 9.753 1.795 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.737 9.849 2.582 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.388 11.544 0.763 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.691 11.577 0.327 1.00 0.77 H new ATOM 0 HE21 GLN A 436 7.873 11.128 3.209 1.00 1.38 H new ATOM 0 HE22 GLN A 436 8.101 12.698 3.985 1.00 1.38 H new ATOM 1833 N VAL A 437 8.672 6.927 1.418 1.00 0.38 N ATOM 1834 CA VAL A 437 8.596 5.589 2.009 1.00 0.38 C ATOM 1835 C VAL A 437 9.424 4.592 1.200 1.00 0.42 C ATOM 1836 O VAL A 437 10.031 3.667 1.748 1.00 0.49 O ATOM 1837 CB VAL A 437 7.127 5.101 2.132 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.331 5.393 0.874 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.066 3.617 2.439 1.00 0.38 C ATOM 0 H VAL A 437 7.771 7.314 1.138 1.00 0.38 H new ATOM 0 HA VAL A 437 9.011 5.652 3.015 1.00 0.38 H new ATOM 0 HB VAL A 437 6.681 5.653 2.959 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.309 5.037 0.999 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.321 6.467 0.691 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.791 4.885 0.026 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.025 3.305 2.519 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.551 3.059 1.638 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.578 3.419 3.381 1.00 0.38 H new ATOM 1849 N LEU A 438 9.482 4.822 -0.099 1.00 0.41 N ATOM 1850 CA LEU A 438 10.245 3.979 -1.005 1.00 0.48 C ATOM 1851 C LEU A 438 11.740 4.264 -0.880 1.00 0.55 C ATOM 1852 O LEU A 438 12.572 3.568 -1.462 1.00 0.62 O ATOM 1853 CB LEU A 438 9.769 4.236 -2.431 1.00 0.48 C ATOM 1854 CG LEU A 438 8.270 3.998 -2.643 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.857 4.322 -4.068 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.876 2.576 -2.277 1.00 0.54 C ATOM 0 H LEU A 438 9.003 5.597 -0.557 1.00 0.41 H new ATOM 0 HA LEU A 438 10.086 2.932 -0.747 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.004 5.265 -2.701 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.328 3.593 -3.111 1.00 0.48 H new ATOM 0 HG LEU A 438 7.736 4.674 -1.975 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.788 4.143 -4.187 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.076 5.368 -4.281 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.410 3.687 -4.760 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.807 2.442 -2.439 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.429 1.873 -2.901 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.110 2.392 -1.228 1.00 0.54 H new