USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 401 ASN : amide:sc= -1.39 K(o=-0.068,f=-1.7) USER MOD Set 1.2: A 417 LYS NZ :NH3+ -173:sc= 1.32 (180deg=1.2) USER MOD Set 2.1: A 386 THR OG1 : rot -170:sc= 0.856 USER MOD Set 2.2: A 389 LYS NZ :NH3+ 172:sc= 0.99 (180deg=0) USER MOD Set 3.1: A 342 TYR OH : rot 180:sc= 1.02 USER MOD Set 3.2: A 362 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0) USER MOD Single : A 340 TYR OH : rot 30:sc= -1.17 USER MOD Single : A 343 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.05) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.472 K(o=0.47,f=-0.29) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot -2:sc= -3.52! USER MOD Single : A 370 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 378 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -126:sc= 0.808 (180deg=0.172) USER MOD Single : A 381 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.91) USER MOD Single : A 387 TYR OH : rot -94:sc= -1.44 USER MOD Single : A 390 MET CE :methyl -110:sc= -3.15 (180deg=-7.81!) USER MOD Single : A 391 SER OG : rot -71:sc= 0.659 USER MOD Single : A 396 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-1.2) USER MOD Single : A 397 TYR OH : rot 30:sc= -2.31! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -0.0408 K(o=-0.041,f=-1.8!) USER MOD Single : A 416 MET CE :methyl 159:sc= -0.261 (180deg=-1.04) USER MOD Single : A 418 THR OG1 : rot -68:sc= 1.07 USER MOD Single : A 423 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 424 SER OG : rot -48:sc= 0.215 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 432 HIS : no HD1:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.00069) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.328 7.320 -5.454 1.00 1.08 N ATOM 81 CA LEU A 336 -1.330 6.899 -4.057 1.00 0.60 C ATOM 82 C LEU A 336 -1.659 5.411 -3.902 1.00 0.50 C ATOM 83 O LEU A 336 -2.365 4.829 -4.728 1.00 0.62 O ATOM 84 CB LEU A 336 -2.291 7.756 -3.223 1.00 0.36 C ATOM 85 CG LEU A 336 -1.911 9.236 -3.107 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.643 9.899 -1.956 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.421 9.395 -2.930 1.00 0.39 C ATOM 0 HA LEU A 336 -0.318 7.049 -3.680 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.287 7.686 -3.660 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -2.352 7.333 -2.220 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.208 9.726 -4.034 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.354 10.948 -1.897 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.718 9.827 -2.119 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.383 9.399 -1.023 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.175 10.454 -2.850 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.105 8.880 -2.023 1.00 0.39 H new ATOM 0 HD23 LEU A 336 0.095 8.967 -3.789 1.00 0.39 H new ATOM 99 N LEU A 337 -1.131 4.801 -2.847 1.00 0.39 N ATOM 100 CA LEU A 337 -1.301 3.371 -2.602 1.00 0.30 C ATOM 101 C LEU A 337 -2.770 2.959 -2.639 1.00 0.26 C ATOM 102 O LEU A 337 -3.137 2.040 -3.377 1.00 0.25 O ATOM 103 CB LEU A 337 -0.657 3.010 -1.250 1.00 0.32 C ATOM 104 CG LEU A 337 -0.989 1.631 -0.661 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.622 0.519 -1.614 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.261 1.437 0.657 1.00 0.39 C ATOM 0 H LEU A 337 -0.575 5.280 -2.139 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.803 2.819 -3.399 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.425 3.078 -1.362 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.950 3.767 -0.523 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.065 1.593 -0.493 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -0.871 -0.442 -1.164 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.177 0.639 -2.544 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.447 0.556 -1.822 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.504 0.456 1.066 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.814 1.506 0.492 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.570 2.210 1.361 1.00 0.39 H new ATOM 118 N TRP A 338 -3.608 3.676 -1.891 1.00 0.25 N ATOM 119 CA TRP A 338 -5.012 3.309 -1.726 1.00 0.24 C ATOM 120 C TRP A 338 -5.778 3.244 -3.053 1.00 0.24 C ATOM 121 O TRP A 338 -6.755 2.509 -3.159 1.00 0.24 O ATOM 122 CB TRP A 338 -5.717 4.241 -0.726 1.00 0.24 C ATOM 123 CG TRP A 338 -5.460 5.709 -0.927 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.711 6.522 -0.127 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.961 6.542 -1.976 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.709 7.799 -0.619 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.468 7.839 -1.756 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.774 6.318 -3.083 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.763 8.902 -2.603 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.061 7.374 -3.922 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.557 8.652 -3.678 1.00 0.28 C ATOM 0 H TRP A 338 -3.335 4.520 -1.387 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.016 2.298 -1.319 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.791 4.065 -0.785 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.405 3.969 0.282 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.194 6.203 0.766 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.220 8.593 -0.205 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.173 5.334 -3.282 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.375 9.892 -2.413 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.688 7.209 -4.785 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.802 9.457 -4.355 1.00 0.28 H new ATOM 142 N ASP A 339 -5.339 3.988 -4.060 1.00 0.25 N ATOM 143 CA ASP A 339 -6.045 4.011 -5.343 1.00 0.27 C ATOM 144 C ASP A 339 -5.668 2.791 -6.162 1.00 0.26 C ATOM 145 O ASP A 339 -6.522 2.136 -6.765 1.00 0.33 O ATOM 146 CB ASP A 339 -5.717 5.291 -6.114 1.00 0.36 C ATOM 147 CG ASP A 339 -6.614 5.526 -7.314 1.00 1.00 C ATOM 148 OD1 ASP A 339 -6.464 4.796 -8.319 1.00 1.19 O ATOM 149 OD2 ASP A 339 -7.491 6.407 -7.256 1.00 1.80 O ATOM 0 H ASP A 339 -4.508 4.578 -4.019 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.118 3.992 -5.152 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.798 6.143 -5.438 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.681 5.248 -6.449 1.00 0.36 H new ATOM 154 N TYR A 340 -4.383 2.467 -6.145 1.00 0.22 N ATOM 155 CA TYR A 340 -3.882 1.313 -6.868 1.00 0.20 C ATOM 156 C TYR A 340 -4.461 0.024 -6.295 1.00 0.17 C ATOM 157 O TYR A 340 -4.931 -0.841 -7.038 1.00 0.17 O ATOM 158 CB TYR A 340 -2.354 1.258 -6.817 1.00 0.21 C ATOM 159 CG TYR A 340 -1.797 0.048 -7.514 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.672 0.020 -8.894 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.421 -1.074 -6.792 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.189 -1.097 -9.540 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.931 -2.195 -7.429 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.819 -2.202 -8.806 1.00 0.24 C ATOM 165 OH TYR A 340 -0.345 -3.319 -9.454 1.00 0.28 O ATOM 0 H TYR A 340 -3.670 2.990 -5.637 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.196 1.411 -7.907 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.946 2.158 -7.277 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.028 1.256 -5.777 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.957 0.887 -9.472 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.513 -1.070 -5.716 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.101 -1.106 -10.616 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.637 -3.061 -6.855 1.00 0.18 H new ATOM 0 HH TYR A 340 0.106 -3.050 -10.281 1.00 0.28 H new ATOM 175 N VAL A 341 -4.419 -0.099 -4.976 1.00 0.17 N ATOM 176 CA VAL A 341 -4.939 -1.280 -4.299 1.00 0.15 C ATOM 177 C VAL A 341 -6.444 -1.412 -4.523 1.00 0.15 C ATOM 178 O VAL A 341 -6.965 -2.513 -4.716 1.00 0.15 O ATOM 179 CB VAL A 341 -4.614 -1.244 -2.786 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.985 0.089 -2.170 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.325 -2.358 -2.045 1.00 0.15 C ATOM 0 H VAL A 341 -4.029 0.607 -4.351 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.449 -2.154 -4.727 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.537 -1.386 -2.691 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.743 0.079 -1.107 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.426 0.885 -2.662 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.053 0.264 -2.297 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.077 -2.306 -0.985 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.402 -2.249 -2.171 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.008 -3.321 -2.445 1.00 0.15 H new ATOM 191 N TYR A 342 -7.122 -0.274 -4.540 1.00 0.17 N ATOM 192 CA TYR A 342 -8.558 -0.221 -4.782 1.00 0.17 C ATOM 193 C TYR A 342 -8.877 -0.739 -6.190 1.00 0.17 C ATOM 194 O TYR A 342 -9.939 -1.318 -6.427 1.00 0.18 O ATOM 195 CB TYR A 342 -9.042 1.223 -4.592 1.00 0.20 C ATOM 196 CG TYR A 342 -10.521 1.372 -4.314 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.065 0.953 -3.106 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.367 1.953 -5.247 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.410 1.106 -2.838 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.712 2.114 -4.984 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.230 1.688 -3.777 1.00 0.71 C ATOM 202 OH TYR A 342 -14.569 1.851 -3.505 1.00 0.92 O ATOM 0 H TYR A 342 -6.693 0.639 -4.387 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.081 -0.862 -4.072 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.486 1.671 -3.768 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.797 1.793 -5.488 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.424 0.500 -2.364 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.967 2.284 -6.194 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -12.817 0.770 -1.896 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.357 2.571 -5.719 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.008 2.278 -4.270 1.00 0.92 H new ATOM 212 N GLN A 343 -7.941 -0.527 -7.117 1.00 0.18 N ATOM 213 CA GLN A 343 -8.062 -1.040 -8.483 1.00 0.19 C ATOM 214 C GLN A 343 -7.962 -2.562 -8.523 1.00 0.18 C ATOM 215 O GLN A 343 -8.693 -3.223 -9.260 1.00 0.23 O ATOM 216 CB GLN A 343 -6.962 -0.458 -9.372 1.00 0.26 C ATOM 217 CG GLN A 343 -6.883 -1.105 -10.749 1.00 0.71 C ATOM 218 CD GLN A 343 -5.646 -0.701 -11.530 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.661 -0.656 -12.759 1.00 2.07 O ATOM 220 NE2 GLN A 343 -4.564 -0.411 -10.827 1.00 2.22 N ATOM 0 H GLN A 343 -7.085 0.000 -6.945 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.043 -0.739 -8.851 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.132 0.612 -9.492 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.002 -0.574 -8.870 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.895 -2.189 -10.635 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.770 -0.835 -11.322 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -4.589 -0.459 -9.808 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -3.704 -0.139 -11.303 1.00 2.22 H new ATOM 229 N LEU A 344 -7.058 -3.114 -7.720 1.00 0.16 N ATOM 230 CA LEU A 344 -6.772 -4.541 -7.749 1.00 0.15 C ATOM 231 C LEU A 344 -7.995 -5.316 -7.287 1.00 0.17 C ATOM 232 O LEU A 344 -8.200 -6.472 -7.657 1.00 0.24 O ATOM 233 CB LEU A 344 -5.581 -4.863 -6.844 1.00 0.15 C ATOM 234 CG LEU A 344 -4.291 -4.092 -7.136 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.224 -4.462 -6.123 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.794 -4.369 -8.546 1.00 0.19 C ATOM 0 H LEU A 344 -6.509 -2.590 -7.038 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.524 -4.831 -8.770 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.871 -4.669 -5.811 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.369 -5.929 -6.921 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.506 -3.026 -7.057 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.310 -3.909 -6.339 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.572 -4.212 -5.121 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.023 -5.532 -6.181 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.877 -3.808 -8.725 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.596 -5.435 -8.659 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.553 -4.063 -9.266 1.00 0.19 H new ATOM 248 N LEU A 345 -8.803 -4.647 -6.488 1.00 0.18 N ATOM 249 CA LEU A 345 -10.023 -5.214 -5.955 1.00 0.20 C ATOM 250 C LEU A 345 -11.095 -5.369 -7.035 1.00 0.25 C ATOM 251 O LEU A 345 -12.058 -6.117 -6.868 1.00 0.36 O ATOM 252 CB LEU A 345 -10.538 -4.311 -4.837 1.00 0.17 C ATOM 253 CG LEU A 345 -9.623 -4.217 -3.621 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.978 -3.023 -2.749 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.703 -5.500 -2.818 1.00 0.15 C ATOM 0 H LEU A 345 -8.629 -3.687 -6.189 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.803 -6.209 -5.569 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.690 -3.309 -5.239 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.513 -4.676 -4.514 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.601 -4.075 -3.973 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.306 -2.986 -1.891 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.876 -2.106 -3.329 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.006 -3.120 -2.401 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.047 -5.428 -1.950 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.729 -5.658 -2.485 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.390 -6.339 -3.440 1.00 0.15 H new ATOM 267 N SER A 346 -10.921 -4.663 -8.142 1.00 0.28 N ATOM 268 CA SER A 346 -11.934 -4.632 -9.183 1.00 0.35 C ATOM 269 C SER A 346 -11.708 -5.736 -10.214 1.00 0.36 C ATOM 270 O SER A 346 -12.663 -6.276 -10.775 1.00 0.54 O ATOM 271 CB SER A 346 -11.946 -3.256 -9.857 1.00 0.46 C ATOM 272 OG SER A 346 -12.996 -3.146 -10.804 1.00 1.06 O ATOM 0 H SER A 346 -10.090 -4.106 -8.341 1.00 0.28 H new ATOM 0 HA SER A 346 -12.905 -4.810 -8.721 1.00 0.35 H new ATOM 0 HB2 SER A 346 -12.056 -2.480 -9.099 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.990 -3.085 -10.352 1.00 0.46 H new ATOM 0 HG SER A 346 -12.975 -2.256 -11.214 1.00 1.06 H new ATOM 278 N ASP A 347 -10.451 -6.097 -10.450 1.00 0.32 N ATOM 279 CA ASP A 347 -10.136 -7.055 -11.507 1.00 0.34 C ATOM 280 C ASP A 347 -9.827 -8.432 -10.935 1.00 0.34 C ATOM 281 O ASP A 347 -9.252 -8.561 -9.856 1.00 0.43 O ATOM 282 CB ASP A 347 -8.966 -6.570 -12.352 1.00 0.41 C ATOM 283 CG ASP A 347 -9.120 -6.991 -13.801 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.207 -8.210 -14.058 1.00 0.99 O ATOM 285 OD2 ASP A 347 -9.121 -6.111 -14.691 1.00 1.18 O ATOM 0 H ASP A 347 -9.644 -5.748 -9.933 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.018 -7.137 -12.142 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.897 -5.484 -12.292 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.035 -6.971 -11.952 1.00 0.41 H new ATOM 290 N SER A 348 -10.199 -9.458 -11.688 1.00 0.40 N ATOM 291 CA SER A 348 -10.174 -10.825 -11.208 1.00 0.43 C ATOM 292 C SER A 348 -8.772 -11.425 -11.131 1.00 0.35 C ATOM 293 O SER A 348 -8.560 -12.372 -10.379 1.00 0.40 O ATOM 294 CB SER A 348 -11.068 -11.684 -12.092 1.00 0.59 C ATOM 295 OG SER A 348 -10.891 -11.361 -13.462 1.00 0.79 O ATOM 0 H SER A 348 -10.526 -9.362 -12.649 1.00 0.40 H new ATOM 0 HA SER A 348 -10.547 -10.809 -10.184 1.00 0.43 H new ATOM 0 HB2 SER A 348 -10.840 -12.738 -11.931 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.111 -11.537 -11.812 1.00 0.59 H new ATOM 0 HG SER A 348 -11.474 -11.927 -14.010 1.00 0.79 H new ATOM 301 N ARG A 349 -7.810 -10.894 -11.890 1.00 0.34 N ATOM 302 CA ARG A 349 -6.476 -11.450 -11.884 1.00 0.37 C ATOM 303 C ARG A 349 -5.847 -11.358 -10.507 1.00 0.31 C ATOM 304 O ARG A 349 -5.146 -12.266 -10.067 1.00 0.42 O ATOM 305 CB ARG A 349 -5.570 -10.746 -12.884 1.00 0.45 C ATOM 306 CG ARG A 349 -5.623 -9.231 -12.858 1.00 0.71 C ATOM 307 CD ARG A 349 -6.373 -8.690 -14.050 1.00 1.07 C ATOM 308 NE ARG A 349 -5.801 -9.132 -15.312 1.00 1.86 N ATOM 309 CZ ARG A 349 -6.523 -9.646 -16.307 1.00 2.54 C ATOM 310 NH1 ARG A 349 -7.852 -9.681 -16.217 1.00 2.75 N ATOM 311 NH2 ARG A 349 -5.920 -10.095 -17.401 1.00 3.43 N ATOM 0 H ARG A 349 -7.937 -10.090 -12.505 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.576 -12.497 -12.169 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -4.542 -11.060 -12.700 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.832 -11.084 -13.886 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.106 -8.897 -11.939 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -4.610 -8.829 -12.850 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -7.414 -9.007 -13.995 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -6.369 -7.601 -14.014 1.00 1.07 H new ATOM 0 HE ARG A 349 -4.793 -9.044 -15.442 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -8.317 -9.314 -15.386 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -8.405 -10.074 -16.979 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -4.904 -10.047 -17.480 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -6.472 -10.489 -18.163 1.00 3.43 H new ATOM 325 N TYR A 350 -6.119 -10.263 -9.823 1.00 0.26 N ATOM 326 CA TYR A 350 -5.465 -9.989 -8.564 1.00 0.30 C ATOM 327 C TYR A 350 -6.156 -10.682 -7.397 1.00 0.24 C ATOM 328 O TYR A 350 -5.828 -10.406 -6.258 1.00 0.25 O ATOM 329 CB TYR A 350 -5.436 -8.484 -8.300 1.00 0.40 C ATOM 330 CG TYR A 350 -5.038 -7.671 -9.503 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.765 -7.771 -10.040 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.944 -6.812 -10.110 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.400 -7.036 -11.148 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.589 -6.072 -11.220 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.315 -6.186 -11.736 1.00 0.63 C ATOM 336 OH TYR A 350 -3.957 -5.449 -12.843 1.00 0.72 O ATOM 0 H TYR A 350 -6.787 -9.552 -10.120 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.450 -10.378 -8.641 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.422 -8.163 -7.964 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.740 -8.279 -7.486 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -3.047 -8.436 -9.583 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.942 -6.721 -9.708 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.403 -7.125 -11.554 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.305 -5.408 -11.682 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.718 -4.903 -13.133 1.00 0.72 H new ATOM 346 N GLU A 351 -7.097 -11.584 -7.667 1.00 0.22 N ATOM 347 CA GLU A 351 -7.875 -12.212 -6.592 1.00 0.23 C ATOM 348 C GLU A 351 -6.997 -13.019 -5.631 1.00 0.21 C ATOM 349 O GLU A 351 -7.330 -13.165 -4.456 1.00 0.25 O ATOM 350 CB GLU A 351 -8.971 -13.110 -7.160 1.00 0.31 C ATOM 351 CG GLU A 351 -8.450 -14.296 -7.950 1.00 0.36 C ATOM 352 CD GLU A 351 -9.565 -15.201 -8.415 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.124 -14.957 -9.505 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.907 -16.149 -7.681 1.00 1.45 O ATOM 0 H GLU A 351 -7.340 -11.896 -8.607 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.331 -11.398 -6.028 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.588 -13.476 -6.339 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.618 -12.514 -7.804 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -7.890 -13.938 -8.814 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.755 -14.865 -7.333 1.00 0.36 H new ATOM 361 N ASN A 352 -5.883 -13.538 -6.135 1.00 0.22 N ATOM 362 CA ASN A 352 -4.953 -14.303 -5.313 1.00 0.24 C ATOM 363 C ASN A 352 -3.982 -13.347 -4.630 1.00 0.19 C ATOM 364 O ASN A 352 -3.132 -13.749 -3.846 1.00 0.21 O ATOM 365 CB ASN A 352 -4.193 -15.316 -6.166 1.00 0.32 C ATOM 366 CG ASN A 352 -3.701 -16.530 -5.388 1.00 0.62 C ATOM 367 OD1 ASN A 352 -3.610 -17.629 -5.936 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.362 -16.354 -4.124 1.00 1.06 N ATOM 0 H ASN A 352 -5.602 -13.443 -7.111 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.512 -14.852 -4.555 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -4.840 -15.653 -6.976 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.338 -14.820 -6.626 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.014 -17.140 -3.575 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.448 -15.432 -3.697 1.00 1.06 H new ATOM 375 N PHE A 353 -4.124 -12.072 -4.937 1.00 0.16 N ATOM 376 CA PHE A 353 -3.322 -11.035 -4.314 1.00 0.14 C ATOM 377 C PHE A 353 -4.178 -10.261 -3.325 1.00 0.12 C ATOM 378 O PHE A 353 -3.754 -9.973 -2.209 1.00 0.11 O ATOM 379 CB PHE A 353 -2.765 -10.072 -5.366 1.00 0.16 C ATOM 380 CG PHE A 353 -1.871 -10.717 -6.386 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.402 -11.399 -7.470 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.496 -10.624 -6.267 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.576 -11.979 -8.412 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.334 -11.199 -7.208 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.206 -11.879 -8.282 1.00 0.29 C ATOM 0 H PHE A 353 -4.796 -11.726 -5.622 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.486 -11.506 -3.797 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.598 -9.594 -5.881 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.209 -9.283 -4.860 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.474 -11.477 -7.579 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.067 -10.096 -5.428 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -2.002 -12.511 -9.250 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.406 -11.117 -7.104 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.442 -12.331 -9.018 1.00 0.29 H new ATOM 395 N ILE A 354 -5.384 -9.929 -3.757 1.00 0.11 N ATOM 396 CA ILE A 354 -6.322 -9.164 -2.961 1.00 0.11 C ATOM 397 C ILE A 354 -7.753 -9.401 -3.461 1.00 0.12 C ATOM 398 O ILE A 354 -7.966 -9.628 -4.653 1.00 0.16 O ATOM 399 CB ILE A 354 -5.976 -7.670 -3.038 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.720 -6.897 -1.962 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.292 -7.111 -4.423 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.240 -5.480 -1.823 1.00 0.12 C ATOM 0 H ILE A 354 -5.739 -10.186 -4.678 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.255 -9.490 -1.923 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.906 -7.556 -2.865 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.785 -6.893 -2.195 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.604 -7.410 -1.007 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -6.039 -6.051 -4.454 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.709 -7.646 -5.173 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.354 -7.237 -4.632 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.808 -4.978 -1.040 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.182 -5.478 -1.561 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.381 -4.954 -2.767 1.00 0.12 H new ATOM 414 N ARG A 355 -8.729 -9.378 -2.564 1.00 0.12 N ATOM 415 CA ARG A 355 -10.117 -9.552 -2.975 1.00 0.14 C ATOM 416 C ARG A 355 -11.079 -8.924 -1.967 1.00 0.14 C ATOM 417 O ARG A 355 -10.745 -8.753 -0.794 1.00 0.15 O ATOM 418 CB ARG A 355 -10.423 -11.040 -3.169 1.00 0.18 C ATOM 419 CG ARG A 355 -10.565 -11.827 -1.878 1.00 0.24 C ATOM 420 CD ARG A 355 -9.914 -13.199 -1.979 1.00 0.40 C ATOM 421 NE ARG A 355 -10.051 -13.807 -3.299 1.00 0.90 N ATOM 422 CZ ARG A 355 -11.144 -14.440 -3.720 1.00 1.53 C ATOM 423 NH1 ARG A 355 -12.194 -14.565 -2.918 1.00 1.59 N ATOM 424 NH2 ARG A 355 -11.173 -14.975 -4.929 1.00 2.39 N ATOM 0 H ARG A 355 -8.591 -9.243 -1.562 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.260 -9.037 -3.925 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.345 -11.137 -3.742 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.628 -11.487 -3.766 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -10.111 -11.268 -1.060 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -11.622 -11.943 -1.637 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -8.855 -13.110 -1.736 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -10.358 -13.860 -1.234 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.259 -13.743 -3.939 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.165 -14.175 -1.976 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -13.030 -15.051 -3.244 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -10.358 -14.903 -5.538 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -12.010 -15.460 -5.252 1.00 2.39 H new ATOM 438 N TRP A 356 -12.261 -8.559 -2.446 1.00 0.15 N ATOM 439 CA TRP A 356 -13.318 -8.028 -1.593 1.00 0.16 C ATOM 440 C TRP A 356 -13.947 -9.122 -0.742 1.00 0.18 C ATOM 441 O TRP A 356 -14.295 -10.190 -1.248 1.00 0.25 O ATOM 442 CB TRP A 356 -14.417 -7.388 -2.442 1.00 0.18 C ATOM 443 CG TRP A 356 -14.072 -6.034 -2.974 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.883 -5.685 -4.276 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.882 -4.846 -2.207 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.595 -4.344 -4.362 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.588 -3.811 -3.103 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.936 -4.555 -0.848 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.353 -2.510 -2.679 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.696 -3.267 -0.429 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.409 -2.255 -1.341 1.00 0.20 C ATOM 0 H TRP A 356 -12.514 -8.622 -3.432 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.861 -7.283 -0.941 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.644 -8.048 -3.279 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.324 -7.310 -1.843 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.949 -6.361 -5.116 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.416 -3.830 -5.225 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.163 -5.330 -0.131 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.133 -1.725 -3.387 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.731 -3.037 0.626 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.228 -1.252 -0.983 1.00 0.20 H new ATOM 462 N GLU A 357 -14.094 -8.850 0.544 1.00 0.18 N ATOM 463 CA GLU A 357 -14.864 -9.712 1.419 1.00 0.22 C ATOM 464 C GLU A 357 -16.268 -9.147 1.562 1.00 0.22 C ATOM 465 O GLU A 357 -17.262 -9.835 1.330 1.00 0.31 O ATOM 466 CB GLU A 357 -14.198 -9.830 2.783 1.00 0.25 C ATOM 467 CG GLU A 357 -12.853 -10.530 2.740 1.00 0.52 C ATOM 468 CD GLU A 357 -12.909 -11.868 2.029 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.757 -12.710 2.399 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.112 -12.078 1.093 1.00 0.79 O ATOM 0 H GLU A 357 -13.688 -8.036 1.005 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.915 -10.711 0.985 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -14.066 -8.832 3.202 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.861 -10.374 3.456 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.130 -9.887 2.238 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.494 -10.680 3.758 1.00 0.52 H new ATOM 477 N ASP A 358 -16.328 -7.874 1.930 1.00 0.19 N ATOM 478 CA ASP A 358 -17.581 -7.137 1.987 1.00 0.22 C ATOM 479 C ASP A 358 -17.405 -5.822 1.244 1.00 0.20 C ATOM 480 O ASP A 358 -16.938 -4.838 1.813 1.00 0.22 O ATOM 481 CB ASP A 358 -18.012 -6.844 3.432 1.00 0.28 C ATOM 482 CG ASP A 358 -18.275 -8.082 4.268 1.00 1.02 C ATOM 483 OD1 ASP A 358 -17.311 -8.611 4.864 1.00 2.07 O ATOM 484 OD2 ASP A 358 -19.431 -8.558 4.300 1.00 1.30 O ATOM 0 H ASP A 358 -15.511 -7.325 2.197 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.357 -7.749 1.527 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.237 -6.250 3.917 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.915 -6.234 3.413 1.00 0.28 H new ATOM 489 N LYS A 359 -17.768 -5.802 -0.028 1.00 0.23 N ATOM 490 CA LYS A 359 -17.527 -4.636 -0.869 1.00 0.26 C ATOM 491 C LYS A 359 -18.373 -3.436 -0.436 1.00 0.28 C ATOM 492 O LYS A 359 -17.979 -2.287 -0.644 1.00 0.33 O ATOM 493 CB LYS A 359 -17.780 -4.976 -2.339 1.00 0.35 C ATOM 494 CG LYS A 359 -17.502 -3.822 -3.292 1.00 0.41 C ATOM 495 CD LYS A 359 -17.289 -4.305 -4.715 1.00 0.60 C ATOM 496 CE LYS A 359 -17.119 -3.142 -5.679 1.00 0.96 C ATOM 497 NZ LYS A 359 -16.887 -3.604 -7.071 1.00 1.65 N ATOM 0 H LYS A 359 -18.230 -6.578 -0.502 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.481 -4.354 -0.749 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.156 -5.825 -2.619 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.817 -5.291 -2.456 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.336 -3.121 -3.267 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.619 -3.278 -2.957 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.407 -4.944 -4.755 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.138 -4.914 -5.024 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -18.009 -2.513 -5.649 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.281 -2.524 -5.357 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -16.776 -2.780 -7.696 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -16.024 -4.183 -7.105 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.698 -4.173 -7.388 1.00 1.65 H new ATOM 511 N GLU A 360 -19.512 -3.698 0.195 1.00 0.32 N ATOM 512 CA GLU A 360 -20.436 -2.640 0.572 1.00 0.36 C ATOM 513 C GLU A 360 -19.953 -1.930 1.829 1.00 0.34 C ATOM 514 O GLU A 360 -20.158 -0.728 1.999 1.00 0.42 O ATOM 515 CB GLU A 360 -21.834 -3.219 0.790 1.00 0.45 C ATOM 516 CG GLU A 360 -22.901 -2.177 1.066 1.00 0.94 C ATOM 517 CD GLU A 360 -24.254 -2.799 1.329 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.949 -3.148 0.354 1.00 1.33 O ATOM 519 OE2 GLU A 360 -24.633 -2.935 2.512 1.00 1.40 O ATOM 0 H GLU A 360 -19.816 -4.636 0.456 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.479 -1.910 -0.237 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.120 -3.791 -0.093 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.800 -3.918 1.626 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.606 -1.577 1.927 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.974 -1.500 0.215 1.00 0.94 H new ATOM 526 N SER A 361 -19.305 -2.681 2.700 1.00 0.28 N ATOM 527 CA SER A 361 -18.739 -2.129 3.915 1.00 0.27 C ATOM 528 C SER A 361 -17.362 -1.546 3.631 1.00 0.23 C ATOM 529 O SER A 361 -16.793 -0.839 4.465 1.00 0.25 O ATOM 530 CB SER A 361 -18.611 -3.232 4.954 1.00 0.29 C ATOM 531 OG SER A 361 -17.869 -4.296 4.429 1.00 1.10 O ATOM 0 H SER A 361 -19.157 -3.684 2.586 1.00 0.28 H new ATOM 0 HA SER A 361 -19.392 -1.340 4.288 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.125 -2.845 5.850 1.00 0.29 H new ATOM 0 HB3 SER A 361 -19.600 -3.579 5.253 1.00 0.29 H new ATOM 0 HG SER A 361 -17.632 -4.102 3.498 1.00 1.10 H new ATOM 537 N LYS A 362 -16.851 -1.864 2.436 1.00 0.20 N ATOM 538 CA LYS A 362 -15.495 -1.514 2.015 1.00 0.19 C ATOM 539 C LYS A 362 -14.468 -2.388 2.737 1.00 0.15 C ATOM 540 O LYS A 362 -13.319 -1.989 2.940 1.00 0.16 O ATOM 541 CB LYS A 362 -15.202 -0.033 2.252 1.00 0.24 C ATOM 542 CG LYS A 362 -16.183 0.895 1.561 1.00 0.33 C ATOM 543 CD LYS A 362 -16.015 0.876 0.055 1.00 0.46 C ATOM 544 CE LYS A 362 -17.012 1.805 -0.608 1.00 1.22 C ATOM 545 NZ LYS A 362 -16.906 1.793 -2.090 1.00 1.83 N ATOM 0 H LYS A 362 -17.376 -2.378 1.728 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.420 -1.700 0.944 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.219 0.166 3.324 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.194 0.191 1.902 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.201 0.602 1.816 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.042 1.911 1.929 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.001 1.177 -0.206 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.152 -0.139 -0.318 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -18.022 1.515 -0.317 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -16.854 2.820 -0.244 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -17.311 2.670 -2.474 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -15.906 1.724 -2.366 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -17.427 0.976 -2.469 1.00 1.83 H new ATOM 559 N ILE A 363 -14.894 -3.589 3.118 1.00 0.14 N ATOM 560 CA ILE A 363 -14.029 -4.546 3.802 1.00 0.13 C ATOM 561 C ILE A 363 -13.318 -5.402 2.757 1.00 0.11 C ATOM 562 O ILE A 363 -13.958 -6.167 2.029 1.00 0.14 O ATOM 563 CB ILE A 363 -14.820 -5.478 4.777 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.319 -4.756 6.048 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.953 -6.658 5.187 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.528 -3.280 5.905 1.00 0.19 C ATOM 0 H ILE A 363 -15.844 -3.925 2.962 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.315 -3.980 4.400 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.700 -5.814 4.229 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -16.259 -5.211 6.359 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.601 -4.929 6.850 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.512 -7.302 5.866 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.668 -7.226 4.301 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -13.056 -6.294 5.688 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -15.878 -2.869 6.852 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -14.587 -2.804 5.629 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.271 -3.091 5.130 1.00 0.19 H new ATOM 578 N PHE A 364 -12.004 -5.278 2.680 1.00 0.09 N ATOM 579 CA PHE A 364 -11.248 -5.958 1.643 1.00 0.08 C ATOM 580 C PHE A 364 -10.103 -6.758 2.250 1.00 0.08 C ATOM 581 O PHE A 364 -9.507 -6.352 3.249 1.00 0.09 O ATOM 582 CB PHE A 364 -10.724 -4.947 0.618 1.00 0.09 C ATOM 583 CG PHE A 364 -9.529 -4.158 1.069 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.654 -3.142 2.000 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.278 -4.434 0.551 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.547 -2.415 2.403 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.171 -3.714 0.948 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.302 -2.704 1.872 1.00 0.10 C ATOM 0 H PHE A 364 -11.441 -4.716 3.319 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.911 -6.655 1.130 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.466 -5.479 -0.298 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.527 -4.254 0.369 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.624 -2.914 2.416 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.166 -5.225 -0.175 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.655 -1.624 3.130 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.201 -3.943 0.533 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.436 -2.138 2.182 1.00 0.10 H new ATOM 598 N ARG A 365 -9.807 -7.896 1.649 1.00 0.08 N ATOM 599 CA ARG A 365 -8.786 -8.791 2.165 1.00 0.09 C ATOM 600 C ARG A 365 -7.583 -8.842 1.250 1.00 0.09 C ATOM 601 O ARG A 365 -7.710 -9.099 0.052 1.00 0.10 O ATOM 602 CB ARG A 365 -9.348 -10.202 2.328 1.00 0.13 C ATOM 603 CG ARG A 365 -8.279 -11.270 2.515 1.00 0.20 C ATOM 604 CD ARG A 365 -8.859 -12.676 2.490 1.00 0.26 C ATOM 605 NE ARG A 365 -9.533 -13.028 3.739 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.302 -14.109 3.887 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.557 -14.896 2.849 1.00 1.04 N ATOM 608 NH2 ARG A 365 -10.823 -14.399 5.072 1.00 1.14 N ATOM 0 H ARG A 365 -10.262 -8.224 0.797 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.473 -8.403 3.135 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -10.020 -10.219 3.186 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.946 -10.449 1.451 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.531 -11.174 1.728 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.767 -11.107 3.464 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -9.566 -12.759 1.664 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -8.059 -13.392 2.299 1.00 0.26 H new ATOM 0 HE ARG A 365 -9.408 -12.413 4.543 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -10.165 -14.676 1.934 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -11.145 -15.721 2.967 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -10.636 -13.795 5.873 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.410 -15.226 5.182 1.00 1.14 H new ATOM 622 N ILE A 366 -6.417 -8.604 1.817 1.00 0.09 N ATOM 623 CA ILE A 366 -5.184 -8.822 1.099 1.00 0.09 C ATOM 624 C ILE A 366 -4.798 -10.290 1.204 1.00 0.09 C ATOM 625 O ILE A 366 -4.550 -10.818 2.294 1.00 0.12 O ATOM 626 CB ILE A 366 -4.066 -7.893 1.598 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.388 -6.457 1.153 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.714 -8.356 1.076 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.366 -5.417 1.554 1.00 0.12 C ATOM 0 H ILE A 366 -6.301 -8.261 2.770 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.334 -8.575 0.048 1.00 0.09 H new ATOM 0 HB ILE A 366 -4.011 -7.922 2.686 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.491 -6.444 0.068 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.355 -6.173 1.568 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.935 -7.686 1.440 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.515 -9.368 1.428 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.722 -8.346 -0.014 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.683 -4.438 1.195 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.278 -5.394 2.640 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.400 -5.669 1.117 1.00 0.12 H new ATOM 641 N VAL A 367 -4.793 -10.937 0.056 1.00 0.10 N ATOM 642 CA VAL A 367 -4.659 -12.378 -0.045 1.00 0.12 C ATOM 643 C VAL A 367 -3.197 -12.804 -0.050 1.00 0.13 C ATOM 644 O VAL A 367 -2.793 -13.667 0.727 1.00 0.19 O ATOM 645 CB VAL A 367 -5.367 -12.874 -1.317 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.123 -14.349 -1.555 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.848 -12.590 -1.224 1.00 0.20 C ATOM 0 H VAL A 367 -4.883 -10.471 -0.847 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.128 -12.828 0.830 1.00 0.12 H new ATOM 0 HB VAL A 367 -4.950 -12.335 -2.167 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.639 -14.661 -2.463 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.054 -14.528 -1.666 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.500 -14.922 -0.708 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.344 -12.944 -2.128 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.263 -13.104 -0.357 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.007 -11.517 -1.119 1.00 0.20 H new ATOM 657 N ASP A 368 -2.407 -12.188 -0.912 1.00 0.12 N ATOM 658 CA ASP A 368 -0.980 -12.454 -0.944 1.00 0.13 C ATOM 659 C ASP A 368 -0.238 -11.144 -0.839 1.00 0.12 C ATOM 660 O ASP A 368 0.074 -10.502 -1.842 1.00 0.12 O ATOM 661 CB ASP A 368 -0.558 -13.206 -2.207 1.00 0.18 C ATOM 662 CG ASP A 368 0.837 -13.790 -2.080 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.816 -13.013 -2.150 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.971 -15.027 -1.940 1.00 0.52 O ATOM 0 H ASP A 368 -2.728 -11.503 -1.596 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.732 -13.097 -0.100 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.270 -14.007 -2.407 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.592 -12.529 -3.061 1.00 0.18 H new ATOM 669 N PRO A 369 0.011 -10.721 0.397 1.00 0.11 N ATOM 670 CA PRO A 369 0.631 -9.442 0.707 1.00 0.11 C ATOM 671 C PRO A 369 1.967 -9.220 0.002 1.00 0.12 C ATOM 672 O PRO A 369 2.285 -8.098 -0.393 1.00 0.14 O ATOM 673 CB PRO A 369 0.796 -9.504 2.227 1.00 0.13 C ATOM 674 CG PRO A 369 -0.286 -10.397 2.658 1.00 0.13 C ATOM 675 CD PRO A 369 -0.336 -11.452 1.617 1.00 0.13 C ATOM 0 HA PRO A 369 0.028 -8.603 0.362 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.774 -9.895 2.508 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.705 -8.517 2.680 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.083 -10.820 3.642 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.235 -9.865 2.729 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.371 -12.256 1.822 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.324 -11.906 1.549 1.00 0.13 H new ATOM 683 N ASN A 370 2.737 -10.287 -0.162 1.00 0.15 N ATOM 684 CA ASN A 370 4.018 -10.205 -0.869 1.00 0.18 C ATOM 685 C ASN A 370 3.790 -9.758 -2.304 1.00 0.16 C ATOM 686 O ASN A 370 4.388 -8.789 -2.775 1.00 0.17 O ATOM 687 CB ASN A 370 4.716 -11.564 -0.860 1.00 0.25 C ATOM 688 CG ASN A 370 6.068 -11.540 -1.550 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.163 -11.770 -2.756 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.121 -11.276 -0.794 1.00 0.99 N ATOM 0 H ASN A 370 2.503 -11.218 0.182 1.00 0.15 H new ATOM 0 HA ASN A 370 4.651 -9.478 -0.360 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.846 -11.893 0.171 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.077 -12.298 -1.350 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.054 -11.258 -1.207 1.00 0.99 H new ATOM 0 HD22 ASN A 370 7.000 -11.091 0.202 1.00 0.99 H new ATOM 697 N GLY A 371 2.902 -10.466 -2.983 1.00 0.16 N ATOM 698 CA GLY A 371 2.574 -10.134 -4.352 1.00 0.17 C ATOM 699 C GLY A 371 1.848 -8.808 -4.459 1.00 0.14 C ATOM 700 O GLY A 371 2.086 -8.045 -5.392 1.00 0.16 O ATOM 0 H GLY A 371 2.400 -11.270 -2.607 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.488 -10.095 -4.944 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.953 -10.922 -4.777 1.00 0.17 H new ATOM 704 N LEU A 372 0.967 -8.535 -3.499 1.00 0.13 N ATOM 705 CA LEU A 372 0.240 -7.267 -3.454 1.00 0.12 C ATOM 706 C LEU A 372 1.235 -6.109 -3.413 1.00 0.12 C ATOM 707 O LEU A 372 1.114 -5.136 -4.160 1.00 0.12 O ATOM 708 CB LEU A 372 -0.672 -7.230 -2.217 1.00 0.12 C ATOM 709 CG LEU A 372 -1.913 -6.327 -2.306 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.540 -4.858 -2.454 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.790 -6.768 -3.461 1.00 0.14 C ATOM 0 H LEU A 372 0.738 -9.176 -2.740 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.379 -7.172 -4.346 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -1.004 -8.247 -2.008 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.076 -6.907 -1.363 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.465 -6.428 -1.372 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.447 -4.256 -2.513 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.952 -4.543 -1.592 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.954 -4.721 -3.363 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.667 -6.124 -3.518 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.228 -6.699 -4.392 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -3.107 -7.799 -3.304 1.00 0.14 H new ATOM 723 N ALA A 373 2.229 -6.246 -2.546 1.00 0.13 N ATOM 724 CA ALA A 373 3.287 -5.257 -2.414 1.00 0.16 C ATOM 725 C ALA A 373 4.068 -5.122 -3.712 1.00 0.18 C ATOM 726 O ALA A 373 4.419 -4.022 -4.121 1.00 0.22 O ATOM 727 CB ALA A 373 4.219 -5.659 -1.294 1.00 0.18 C ATOM 0 H ALA A 373 2.324 -7.043 -1.917 1.00 0.13 H new ATOM 0 HA ALA A 373 2.834 -4.292 -2.185 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.011 -4.917 -1.196 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.661 -5.719 -0.360 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.658 -6.631 -1.517 1.00 0.18 H new ATOM 733 N ARG A 374 4.335 -6.250 -4.357 1.00 0.19 N ATOM 734 CA ARG A 374 5.073 -6.251 -5.610 1.00 0.24 C ATOM 735 C ARG A 374 4.255 -5.635 -6.737 1.00 0.19 C ATOM 736 O ARG A 374 4.806 -5.031 -7.655 1.00 0.21 O ATOM 737 CB ARG A 374 5.534 -7.649 -5.966 1.00 0.33 C ATOM 738 CG ARG A 374 6.894 -7.949 -5.372 1.00 0.67 C ATOM 739 CD ARG A 374 6.977 -9.369 -4.894 1.00 0.92 C ATOM 740 NE ARG A 374 6.986 -10.323 -5.999 1.00 1.47 N ATOM 741 CZ ARG A 374 7.761 -11.402 -6.043 1.00 1.99 C ATOM 742 NH1 ARG A 374 8.554 -11.703 -5.023 1.00 2.45 N ATOM 743 NH2 ARG A 374 7.731 -12.186 -7.109 1.00 2.67 N ATOM 0 H ARG A 374 4.051 -7.174 -4.032 1.00 0.19 H new ATOM 0 HA ARG A 374 5.959 -5.631 -5.474 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.808 -8.377 -5.603 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.577 -7.755 -7.050 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.667 -7.768 -6.118 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.088 -7.271 -4.541 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.880 -9.498 -4.298 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.131 -9.581 -4.240 1.00 0.92 H new ATOM 0 HE ARG A 374 6.359 -10.151 -6.785 1.00 1.47 H new ATOM 0 HH11 ARG A 374 8.572 -11.105 -4.197 1.00 2.45 H new ATOM 0 HH12 ARG A 374 9.146 -12.533 -5.065 1.00 2.45 H new ATOM 0 HH21 ARG A 374 7.116 -11.961 -7.891 1.00 2.67 H new ATOM 0 HH22 ARG A 374 8.323 -13.015 -7.149 1.00 2.67 H new ATOM 757 N LEU A 375 2.938 -5.794 -6.667 1.00 0.17 N ATOM 758 CA LEU A 375 2.040 -5.113 -7.590 1.00 0.18 C ATOM 759 C LEU A 375 2.165 -3.607 -7.412 1.00 0.19 C ATOM 760 O LEU A 375 2.326 -2.864 -8.382 1.00 0.22 O ATOM 761 CB LEU A 375 0.587 -5.542 -7.358 1.00 0.18 C ATOM 762 CG LEU A 375 0.255 -6.977 -7.762 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.180 -7.311 -7.395 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.471 -7.179 -9.251 1.00 0.26 C ATOM 0 H LEU A 375 2.470 -6.387 -5.982 1.00 0.17 H new ATOM 0 HA LEU A 375 2.321 -5.386 -8.607 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.354 -5.417 -6.301 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.066 -4.867 -7.911 1.00 0.18 H new ATOM 0 HG LEU A 375 0.923 -7.646 -7.220 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.401 -8.337 -7.689 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.314 -7.205 -6.318 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.856 -6.631 -7.913 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.229 -8.208 -9.518 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.173 -6.499 -9.808 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.513 -6.976 -9.498 1.00 0.26 H new ATOM 776 N TRP A 376 2.105 -3.166 -6.160 1.00 0.18 N ATOM 777 CA TRP A 376 2.254 -1.756 -5.840 1.00 0.20 C ATOM 778 C TRP A 376 3.651 -1.276 -6.232 1.00 0.25 C ATOM 779 O TRP A 376 3.824 -0.164 -6.736 1.00 0.30 O ATOM 780 CB TRP A 376 1.993 -1.522 -4.349 1.00 0.20 C ATOM 781 CG TRP A 376 1.992 -0.074 -3.972 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.152 0.897 -4.443 1.00 0.20 C ATOM 783 CD2 TRP A 376 2.861 0.566 -3.033 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.475 2.110 -3.880 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.515 1.931 -3.006 1.00 0.26 C ATOM 786 CE3 TRP A 376 3.903 0.119 -2.218 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.176 2.849 -2.194 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.553 1.028 -1.411 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.190 2.380 -1.405 1.00 0.35 C ATOM 0 H TRP A 376 1.954 -3.768 -5.351 1.00 0.18 H new ATOM 0 HA TRP A 376 1.522 -1.181 -6.407 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.032 -1.961 -4.081 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.754 -2.042 -3.767 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.353 0.735 -5.152 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.015 2.998 -4.081 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.195 -0.921 -2.220 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 2.898 3.893 -2.187 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.356 0.691 -0.772 1.00 0.34 H new ATOM 0 HH2 TRP A 376 4.722 3.067 -0.764 1.00 0.35 H new ATOM 800 N GLY A 377 4.642 -2.135 -6.006 1.00 0.27 N ATOM 801 CA GLY A 377 5.993 -1.865 -6.460 1.00 0.33 C ATOM 802 C GLY A 377 6.049 -1.659 -7.961 1.00 0.38 C ATOM 803 O GLY A 377 6.678 -0.721 -8.434 1.00 0.41 O ATOM 0 H GLY A 377 4.530 -3.020 -5.512 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.376 -0.977 -5.956 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.643 -2.695 -6.182 1.00 0.33 H new ATOM 807 N ASN A 378 5.368 -2.527 -8.699 1.00 0.41 N ATOM 808 CA ASN A 378 5.310 -2.450 -10.160 1.00 0.50 C ATOM 809 C ASN A 378 4.763 -1.093 -10.614 1.00 0.51 C ATOM 810 O ASN A 378 5.231 -0.517 -11.599 1.00 0.62 O ATOM 811 CB ASN A 378 4.436 -3.589 -10.698 1.00 0.54 C ATOM 812 CG ASN A 378 4.405 -3.668 -12.214 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.365 -3.304 -12.892 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.302 -4.164 -12.756 1.00 1.06 N ATOM 0 H ASN A 378 4.839 -3.305 -8.305 1.00 0.41 H new ATOM 0 HA ASN A 378 6.319 -2.553 -10.559 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.802 -4.536 -10.301 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.419 -3.461 -10.328 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.228 -4.255 -13.769 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.527 -4.455 -12.160 1.00 1.06 H new ATOM 821 N HIS A 379 3.791 -0.576 -9.871 1.00 0.44 N ATOM 822 CA HIS A 379 3.182 0.718 -10.178 1.00 0.49 C ATOM 823 C HIS A 379 4.152 1.860 -9.856 1.00 0.53 C ATOM 824 O HIS A 379 4.057 2.957 -10.412 1.00 0.67 O ATOM 825 CB HIS A 379 1.876 0.879 -9.385 1.00 0.51 C ATOM 826 CG HIS A 379 1.082 2.107 -9.731 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.414 2.212 -10.925 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.867 3.233 -9.007 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.190 3.386 -10.903 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.053 4.043 -9.760 1.00 0.89 N ATOM 0 H HIS A 379 3.404 -1.035 -9.046 1.00 0.44 H new ATOM 0 HA HIS A 379 2.955 0.757 -11.243 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.253 0.000 -9.553 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.113 0.903 -8.321 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.261 3.451 -8.025 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.803 3.769 -11.705 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.298 4.965 -9.500 1.00 0.89 H new ATOM 838 N LYS A 380 5.093 1.587 -8.964 1.00 0.47 N ATOM 839 CA LYS A 380 6.067 2.581 -8.535 1.00 0.55 C ATOM 840 C LYS A 380 7.458 2.245 -9.053 1.00 0.56 C ATOM 841 O LYS A 380 8.454 2.635 -8.445 1.00 0.70 O ATOM 842 CB LYS A 380 6.107 2.660 -7.011 1.00 0.62 C ATOM 843 CG LYS A 380 4.805 3.110 -6.378 1.00 0.79 C ATOM 844 CD LYS A 380 4.371 4.469 -6.901 1.00 0.75 C ATOM 845 CE LYS A 380 3.291 5.062 -6.024 1.00 0.84 C ATOM 846 NZ LYS A 380 2.716 6.313 -6.590 1.00 1.36 N ATOM 0 H LYS A 380 5.203 0.676 -8.519 1.00 0.47 H new ATOM 0 HA LYS A 380 5.760 3.543 -8.946 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.371 1.680 -6.614 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.899 3.348 -6.715 1.00 0.62 H new ATOM 0 HG2 LYS A 380 4.027 2.375 -6.583 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.923 3.156 -5.295 1.00 0.79 H new ATOM 0 HD2 LYS A 380 5.228 5.141 -6.935 1.00 0.75 H new ATOM 0 HD3 LYS A 380 4.003 4.370 -7.922 1.00 0.75 H new ATOM 0 HE2 LYS A 380 2.495 4.330 -5.889 1.00 0.84 H new ATOM 0 HE3 LYS A 380 3.704 5.270 -5.037 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 2.776 7.073 -5.883 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.250 6.587 -7.439 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 1.720 6.154 -6.844 1.00 1.36 H new ATOM 860 N ASN A 381 7.506 1.497 -10.160 1.00 0.52 N ATOM 861 CA ASN A 381 8.757 1.075 -10.812 1.00 0.60 C ATOM 862 C ASN A 381 9.763 0.506 -9.803 1.00 0.59 C ATOM 863 O ASN A 381 10.976 0.632 -9.964 1.00 0.76 O ATOM 864 CB ASN A 381 9.381 2.215 -11.651 1.00 0.76 C ATOM 865 CG ASN A 381 9.953 3.368 -10.837 1.00 1.50 C ATOM 866 OD1 ASN A 381 11.126 3.354 -10.456 1.00 2.30 O ATOM 867 ND2 ASN A 381 9.150 4.394 -10.602 1.00 2.17 N ATOM 0 H ASN A 381 6.669 1.162 -10.637 1.00 0.52 H new ATOM 0 HA ASN A 381 8.499 0.270 -11.500 1.00 0.60 H new ATOM 0 HB2 ASN A 381 10.174 1.798 -12.271 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.621 2.608 -12.327 1.00 0.76 H new ATOM 0 HD21 ASN A 381 9.496 5.206 -10.091 1.00 2.17 H new ATOM 0 HD22 ASN A 381 8.185 4.372 -10.932 1.00 2.17 H new ATOM 874 N ARG A 382 9.240 -0.153 -8.782 1.00 0.49 N ATOM 875 CA ARG A 382 10.056 -0.721 -7.723 1.00 0.55 C ATOM 876 C ARG A 382 10.181 -2.227 -7.886 1.00 0.67 C ATOM 877 O ARG A 382 9.240 -2.903 -8.296 1.00 0.79 O ATOM 878 CB ARG A 382 9.457 -0.387 -6.358 1.00 0.51 C ATOM 879 CG ARG A 382 9.705 1.040 -5.922 1.00 0.70 C ATOM 880 CD ARG A 382 11.187 1.378 -5.940 1.00 1.09 C ATOM 881 NE ARG A 382 11.452 2.754 -5.523 1.00 1.88 N ATOM 882 CZ ARG A 382 11.907 3.704 -6.342 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.070 3.454 -7.637 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.183 4.912 -5.867 1.00 3.26 N ATOM 0 H ARG A 382 8.239 -0.309 -8.665 1.00 0.49 H new ATOM 0 HA ARG A 382 11.053 -0.285 -7.788 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.382 -0.568 -6.388 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.874 -1.064 -5.612 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.167 1.722 -6.581 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.309 1.189 -4.917 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.721 0.693 -5.281 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.579 1.224 -6.945 1.00 1.09 H new ATOM 0 HE ARG A 382 11.279 3.002 -4.549 1.00 1.88 H new ATOM 0 HH11 ARG A 382 11.847 2.531 -8.010 1.00 2.40 H new ATOM 0 HH12 ARG A 382 12.418 4.185 -8.258 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.047 5.114 -4.876 1.00 3.26 H new ATOM 0 HH22 ARG A 382 12.531 5.639 -6.492 1.00 3.26 H new ATOM 943 N THR A 386 8.195 -5.447 -0.725 1.00 0.33 N ATOM 944 CA THR A 386 7.642 -6.442 0.152 1.00 0.28 C ATOM 945 C THR A 386 6.480 -5.821 0.925 1.00 0.21 C ATOM 946 O THR A 386 6.387 -4.602 0.971 1.00 0.24 O ATOM 947 CB THR A 386 8.736 -6.922 1.115 1.00 0.33 C ATOM 948 OG1 THR A 386 9.855 -7.437 0.380 1.00 0.54 O ATOM 949 CG2 THR A 386 8.202 -7.964 2.049 1.00 0.26 C ATOM 0 HA THR A 386 7.276 -7.297 -0.417 1.00 0.28 H new ATOM 0 HB THR A 386 9.068 -6.070 1.708 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.474 -7.882 0.996 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.995 -8.290 2.722 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.381 -7.545 2.631 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.841 -8.817 1.474 1.00 0.26 H new ATOM 957 N TYR A 387 5.577 -6.611 1.498 1.00 0.19 N ATOM 958 CA TYR A 387 4.439 -6.020 2.192 1.00 0.17 C ATOM 959 C TYR A 387 4.900 -5.182 3.374 1.00 0.16 C ATOM 960 O TYR A 387 4.331 -4.133 3.634 1.00 0.18 O ATOM 961 CB TYR A 387 3.437 -7.056 2.658 1.00 0.19 C ATOM 962 CG TYR A 387 2.116 -6.419 2.986 1.00 0.20 C ATOM 963 CD1 TYR A 387 1.906 -5.803 4.211 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.084 -6.410 2.064 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.708 -5.202 4.503 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.117 -5.815 2.353 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.297 -5.211 3.572 1.00 0.26 C ATOM 968 OH TYR A 387 -1.489 -4.627 3.871 1.00 0.30 O ATOM 0 H TYR A 387 5.607 -7.631 1.497 1.00 0.19 H new ATOM 0 HA TYR A 387 3.937 -5.380 1.467 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.299 -7.808 1.882 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.824 -7.572 3.537 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.697 -5.796 4.946 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.227 -6.879 1.102 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.558 -4.725 5.460 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.916 -5.822 1.626 1.00 0.25 H new ATOM 0 HH TYR A 387 -2.106 -5.303 4.220 1.00 0.30 H new ATOM 978 N GLU A 388 5.923 -5.631 4.088 1.00 0.20 N ATOM 979 CA GLU A 388 6.507 -4.818 5.153 1.00 0.26 C ATOM 980 C GLU A 388 6.884 -3.443 4.607 1.00 0.25 C ATOM 981 O GLU A 388 6.699 -2.421 5.259 1.00 0.31 O ATOM 982 CB GLU A 388 7.733 -5.513 5.749 1.00 0.38 C ATOM 983 CG GLU A 388 8.844 -5.790 4.753 1.00 1.00 C ATOM 984 CD GLU A 388 10.034 -6.479 5.389 1.00 1.78 C ATOM 985 OE1 GLU A 388 10.008 -7.721 5.519 1.00 2.37 O ATOM 986 OE2 GLU A 388 11.002 -5.781 5.754 1.00 2.34 O ATOM 0 H GLU A 388 6.363 -6.541 3.954 1.00 0.20 H new ATOM 0 HA GLU A 388 5.769 -4.693 5.946 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.130 -4.895 6.554 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.419 -6.456 6.196 1.00 0.38 H new ATOM 0 HG2 GLU A 388 8.457 -6.412 3.945 1.00 1.00 H new ATOM 0 HG3 GLU A 388 9.169 -4.851 4.305 1.00 1.00 H new ATOM 993 N LYS A 389 7.372 -3.458 3.382 1.00 0.24 N ATOM 994 CA LYS A 389 7.745 -2.254 2.654 1.00 0.28 C ATOM 995 C LYS A 389 6.510 -1.479 2.166 1.00 0.26 C ATOM 996 O LYS A 389 6.507 -0.252 2.144 1.00 0.32 O ATOM 997 CB LYS A 389 8.633 -2.659 1.473 1.00 0.34 C ATOM 998 CG LYS A 389 9.927 -3.320 1.905 1.00 0.46 C ATOM 999 CD LYS A 389 10.568 -4.057 0.747 1.00 0.52 C ATOM 1000 CE LYS A 389 11.767 -4.867 1.189 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.185 -5.837 0.143 1.00 1.62 N ATOM 0 H LYS A 389 7.524 -4.318 2.854 1.00 0.24 H new ATOM 0 HA LYS A 389 8.290 -1.587 3.322 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.081 -3.342 0.827 1.00 0.34 H new ATOM 0 HB3 LYS A 389 8.864 -1.775 0.879 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.615 -2.566 2.288 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.730 -4.016 2.721 1.00 0.46 H new ATOM 0 HD2 LYS A 389 9.834 -4.717 0.286 1.00 0.52 H new ATOM 0 HD3 LYS A 389 10.875 -3.340 -0.015 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.596 -4.197 1.417 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.527 -5.402 2.108 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.085 -6.279 0.419 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 11.456 -6.572 0.040 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.307 -5.340 -0.763 1.00 1.62 H new ATOM 1015 N MET A 390 5.458 -2.206 1.798 1.00 0.19 N ATOM 1016 CA MET A 390 4.234 -1.610 1.268 1.00 0.20 C ATOM 1017 C MET A 390 3.374 -1.047 2.406 1.00 0.20 C ATOM 1018 O MET A 390 2.799 0.036 2.298 1.00 0.22 O ATOM 1019 CB MET A 390 3.472 -2.679 0.470 1.00 0.18 C ATOM 1020 CG MET A 390 2.018 -2.856 0.868 1.00 0.23 C ATOM 1021 SD MET A 390 0.940 -1.587 0.212 1.00 0.68 S ATOM 1022 CE MET A 390 -0.660 -2.348 0.479 1.00 1.18 C ATOM 0 H MET A 390 5.430 -3.224 1.859 1.00 0.19 H new ATOM 0 HA MET A 390 4.481 -0.779 0.607 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.515 -2.422 -0.588 1.00 0.18 H new ATOM 0 HB3 MET A 390 3.985 -3.634 0.587 1.00 0.18 H new ATOM 0 HG2 MET A 390 1.671 -3.830 0.524 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.945 -2.858 1.956 1.00 0.23 H new ATOM 0 HE1 MET A 390 -1.093 -2.631 -0.480 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.541 -3.236 1.100 1.00 1.18 H new ATOM 0 HE3 MET A 390 -1.320 -1.640 0.980 1.00 1.18 H new ATOM 1032 N SER A 391 3.326 -1.789 3.506 1.00 0.20 N ATOM 1033 CA SER A 391 2.519 -1.435 4.665 1.00 0.21 C ATOM 1034 C SER A 391 3.006 -0.140 5.289 1.00 0.18 C ATOM 1035 O SER A 391 2.272 0.523 6.013 1.00 0.18 O ATOM 1036 CB SER A 391 2.549 -2.563 5.694 1.00 0.26 C ATOM 1037 OG SER A 391 3.876 -2.872 6.087 1.00 0.64 O ATOM 0 H SER A 391 3.849 -2.657 3.619 1.00 0.20 H new ATOM 0 HA SER A 391 1.491 -1.287 4.333 1.00 0.21 H new ATOM 0 HB2 SER A 391 1.967 -2.274 6.569 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.076 -3.451 5.276 1.00 0.26 H new ATOM 0 HG SER A 391 4.341 -3.317 5.348 1.00 0.64 H new ATOM 1043 N ARG A 392 4.253 0.205 5.004 1.00 0.19 N ATOM 1044 CA ARG A 392 4.834 1.453 5.489 1.00 0.20 C ATOM 1045 C ARG A 392 4.013 2.642 4.993 1.00 0.19 C ATOM 1046 O ARG A 392 3.850 3.635 5.702 1.00 0.23 O ATOM 1047 CB ARG A 392 6.283 1.594 5.026 1.00 0.24 C ATOM 1048 CG ARG A 392 7.233 0.558 5.600 1.00 0.52 C ATOM 1049 CD ARG A 392 7.457 0.756 7.083 1.00 0.67 C ATOM 1050 NE ARG A 392 8.066 2.052 7.379 1.00 1.31 N ATOM 1051 CZ ARG A 392 8.682 2.342 8.524 1.00 1.66 C ATOM 1052 NH1 ARG A 392 8.750 1.440 9.502 1.00 1.88 N ATOM 1053 NH2 ARG A 392 9.231 3.538 8.692 1.00 2.48 N ATOM 0 H ARG A 392 4.885 -0.362 4.438 1.00 0.19 H new ATOM 0 HA ARG A 392 4.819 1.435 6.579 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.311 1.530 3.938 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.642 2.587 5.297 1.00 0.24 H new ATOM 0 HG2 ARG A 392 6.831 -0.440 5.424 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.188 0.613 5.078 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.505 0.675 7.607 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.098 -0.040 7.462 1.00 0.67 H new ATOM 0 HE ARG A 392 8.016 2.779 6.665 1.00 1.31 H new ATOM 0 HH11 ARG A 392 8.329 0.520 9.377 1.00 1.88 H new ATOM 0 HH12 ARG A 392 9.223 1.670 10.376 1.00 1.88 H new ATOM 0 HH21 ARG A 392 9.181 4.232 7.946 1.00 2.48 H new ATOM 0 HH22 ARG A 392 9.704 3.764 9.567 1.00 2.48 H new ATOM 1067 N ALA A 393 3.485 2.524 3.778 1.00 0.16 N ATOM 1068 CA ALA A 393 2.594 3.536 3.225 1.00 0.16 C ATOM 1069 C ALA A 393 1.232 3.456 3.917 1.00 0.16 C ATOM 1070 O ALA A 393 0.610 4.476 4.212 1.00 0.19 O ATOM 1071 CB ALA A 393 2.452 3.352 1.716 1.00 0.19 C ATOM 0 H ALA A 393 3.660 1.734 3.157 1.00 0.16 H new ATOM 0 HA ALA A 393 3.018 4.524 3.403 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.784 4.115 1.318 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.430 3.445 1.245 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.041 2.365 1.507 1.00 0.19 H new ATOM 1077 N LEU A 394 0.792 2.227 4.200 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.478 1.986 4.895 1.00 0.18 C ATOM 1079 C LEU A 394 -0.461 2.569 6.302 1.00 0.18 C ATOM 1080 O LEU A 394 -1.507 2.939 6.832 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.772 0.489 4.995 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.993 -0.239 3.675 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.960 -1.730 3.909 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.321 0.151 3.047 1.00 0.24 C ATOM 0 H LEU A 394 1.300 1.377 3.957 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.255 2.477 4.309 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.057 0.010 5.516 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.659 0.354 5.614 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.196 0.047 2.989 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.118 -2.250 2.964 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.009 -2.012 4.321 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.747 -2.006 4.611 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.450 -0.385 2.107 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.134 -0.106 3.726 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.333 1.224 2.858 1.00 0.24 H new ATOM 1096 N ARG A 395 0.726 2.623 6.906 1.00 0.20 N ATOM 1097 CA ARG A 395 0.888 3.144 8.266 1.00 0.26 C ATOM 1098 C ARG A 395 0.251 4.514 8.397 1.00 0.21 C ATOM 1099 O ARG A 395 -0.429 4.807 9.379 1.00 0.22 O ATOM 1100 CB ARG A 395 2.368 3.244 8.639 1.00 0.36 C ATOM 1101 CG ARG A 395 3.108 1.920 8.612 1.00 0.94 C ATOM 1102 CD ARG A 395 2.569 0.938 9.641 1.00 0.94 C ATOM 1103 NE ARG A 395 3.357 -0.292 9.661 1.00 1.59 N ATOM 1104 CZ ARG A 395 4.528 -0.408 10.284 1.00 1.91 C ATOM 1105 NH1 ARG A 395 4.980 0.587 11.037 1.00 1.87 N ATOM 1106 NH2 ARG A 395 5.231 -1.531 10.185 1.00 2.78 N ATOM 0 H ARG A 395 1.595 2.311 6.473 1.00 0.20 H new ATOM 0 HA ARG A 395 0.393 2.449 8.944 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.858 3.935 7.953 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.451 3.673 9.637 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.028 1.481 7.617 1.00 0.94 H new ATOM 0 HG3 ARG A 395 4.168 2.094 8.799 1.00 0.94 H new ATOM 0 HD2 ARG A 395 2.583 1.398 10.629 1.00 0.94 H new ATOM 0 HD3 ARG A 395 1.529 0.703 9.414 1.00 0.94 H new ATOM 0 HE ARG A 395 2.990 -1.107 9.170 1.00 1.59 H new ATOM 0 HH11 ARG A 395 4.430 1.440 11.138 1.00 1.87 H new ATOM 0 HH12 ARG A 395 5.877 0.498 11.514 1.00 1.87 H new ATOM 0 HH21 ARG A 395 4.874 -2.309 9.630 1.00 2.78 H new ATOM 0 HH22 ARG A 395 6.128 -1.615 10.664 1.00 2.78 H new ATOM 1120 N HIS A 396 0.464 5.344 7.387 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.096 6.678 7.368 1.00 0.19 C ATOM 1122 C HIS A 396 -1.603 6.604 7.211 1.00 0.16 C ATOM 1123 O HIS A 396 -2.337 7.343 7.863 1.00 0.22 O ATOM 1124 CB HIS A 396 0.556 7.500 6.255 1.00 0.24 C ATOM 1125 CG HIS A 396 2.022 7.698 6.489 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.489 8.748 7.239 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.068 6.923 6.112 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.798 8.588 7.312 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.197 7.493 6.645 1.00 1.17 N ATOM 0 H HIS A 396 1.025 5.111 6.567 1.00 0.20 H new ATOM 0 HA HIS A 396 0.112 7.179 8.313 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.406 6.999 5.299 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.065 8.471 6.186 1.00 0.24 H new ATOM 0 HD2 HIS A 396 3.022 6.029 5.508 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.463 9.254 7.841 1.00 1.63 H new ATOM 0 HE2 HIS A 396 5.154 7.151 6.552 1.00 1.17 H new ATOM 1137 N TYR A 397 -2.063 5.655 6.403 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.488 5.511 6.113 1.00 0.15 C ATOM 1139 C TYR A 397 -4.256 5.141 7.375 1.00 0.18 C ATOM 1140 O TYR A 397 -5.439 5.460 7.504 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.731 4.451 5.029 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.093 4.769 3.690 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.129 5.761 3.564 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.454 4.070 2.550 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.552 6.048 2.354 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -2.878 4.350 1.331 1.00 0.32 C ATOM 1147 CZ TYR A 397 -1.923 5.344 1.237 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.353 5.649 0.024 1.00 0.35 O ATOM 0 H TYR A 397 -1.469 4.971 5.935 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.848 6.471 5.744 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.349 3.493 5.382 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.805 4.333 4.887 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.827 6.318 4.438 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.200 3.292 2.618 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.807 6.827 2.281 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.171 3.795 0.452 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.445 5.989 0.166 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.570 4.471 8.300 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.152 4.117 9.589 1.00 0.29 C ATOM 1160 C TYR A 398 -4.479 5.371 10.388 1.00 0.31 C ATOM 1161 O TYR A 398 -5.453 5.410 11.140 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.196 3.232 10.394 1.00 0.33 C ATOM 1163 CG TYR A 398 -2.964 1.878 9.771 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.031 1.118 9.323 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.682 1.364 9.624 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.835 -0.113 8.744 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.473 0.129 9.044 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.554 -0.606 8.605 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.354 -1.837 8.023 1.00 0.60 O ATOM 0 H TYR A 398 -2.606 4.162 8.177 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.071 3.562 9.400 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.240 3.744 10.498 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.597 3.097 11.399 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.036 1.499 9.430 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.836 1.940 9.969 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.680 -0.691 8.400 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.471 -0.259 8.935 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.395 -2.036 8.000 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.662 6.400 10.213 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.836 7.644 10.944 1.00 0.32 C ATOM 1181 C LYS A 399 -4.803 8.552 10.211 1.00 0.29 C ATOM 1182 O LYS A 399 -5.565 9.300 10.822 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.503 8.358 11.108 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.344 7.427 11.437 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.673 6.457 12.568 1.00 0.68 C ATOM 1186 CE LYS A 399 -1.984 7.173 13.874 1.00 1.31 C ATOM 1187 NZ LYS A 399 -2.331 6.211 14.954 1.00 1.98 N ATOM 0 H LYS A 399 -2.871 6.396 9.569 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.237 7.406 11.929 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.274 8.897 10.188 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.595 9.102 11.899 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.073 6.861 10.546 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.473 8.021 11.715 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.527 5.844 12.280 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.832 5.780 12.719 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.123 7.768 14.178 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.812 7.865 13.722 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -2.537 6.732 15.830 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -3.168 5.661 14.673 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -1.531 5.566 15.115 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.769 8.467 8.890 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.645 9.257 8.041 1.00 0.23 C ATOM 1203 C LEU A 400 -7.034 8.662 8.027 1.00 0.22 C ATOM 1204 O LEU A 400 -7.931 9.166 7.351 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.123 9.261 6.620 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.632 9.478 6.486 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.131 8.840 5.219 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.319 10.948 6.485 1.00 0.36 C ATOM 0 H LEU A 400 -4.136 7.851 8.379 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.676 10.272 8.436 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.380 8.311 6.152 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.640 10.041 6.061 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.131 9.015 7.336 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.057 9.001 5.131 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.337 7.770 5.245 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.636 9.286 4.362 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.243 11.091 6.388 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -3.826 11.427 5.647 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.661 11.394 7.419 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.173 7.554 8.764 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.403 6.773 8.836 1.00 0.24 C ATOM 1222 C ASN A 401 -8.969 6.530 7.443 1.00 0.19 C ATOM 1223 O ASN A 401 -10.164 6.672 7.193 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.435 7.388 9.809 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.654 8.881 9.649 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.558 9.317 8.935 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.818 9.678 10.303 1.00 1.24 N ATOM 0 H ASN A 401 -6.419 7.173 9.335 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.156 5.799 9.257 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.389 6.879 9.673 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.112 7.191 10.831 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.912 10.691 10.224 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.082 9.278 10.885 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.061 6.196 6.532 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.411 5.765 5.187 1.00 0.13 C ATOM 1236 C ILE A 402 -8.630 4.269 5.187 1.00 0.13 C ATOM 1237 O ILE A 402 -9.606 3.763 4.642 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.281 6.106 4.191 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.154 7.624 4.051 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.516 5.441 2.831 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.886 8.059 3.359 1.00 0.14 C ATOM 0 H ILE A 402 -7.057 6.217 6.709 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.319 6.284 4.880 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.343 5.711 4.582 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.011 8.003 3.494 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.192 8.077 5.042 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.703 5.701 2.153 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.552 4.359 2.956 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.461 5.789 2.414 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.862 9.147 3.294 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.024 7.710 3.927 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.855 7.635 2.355 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.714 3.577 5.832 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.728 2.133 5.879 1.00 0.14 C ATOM 1255 C ILE A 403 -7.453 1.670 7.293 1.00 0.17 C ATOM 1256 O ILE A 403 -6.447 2.043 7.885 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.664 1.539 4.932 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -7.002 1.870 3.480 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.547 0.036 5.126 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.884 1.559 2.512 1.00 0.20 C ATOM 0 H ILE A 403 -6.938 4.003 6.339 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.711 1.789 5.557 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.700 1.987 5.174 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.891 1.312 3.186 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.251 2.929 3.406 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.791 -0.361 4.448 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.259 -0.177 6.155 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.507 -0.434 4.914 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.195 1.820 1.500 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -5.000 2.137 2.780 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.649 0.495 2.557 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.360 0.888 7.841 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.141 0.288 9.142 1.00 0.18 C ATOM 1274 C ARG A 404 -8.002 -1.208 8.971 1.00 0.20 C ATOM 1275 O ARG A 404 -8.386 -1.751 7.939 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.295 0.588 10.099 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.547 -0.228 9.842 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.151 -0.693 11.152 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.350 -1.515 10.980 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.262 -1.695 11.933 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.145 -1.070 13.096 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.283 -2.514 11.729 1.00 2.08 N ATOM 0 H ARG A 404 -9.253 0.653 7.408 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.233 0.711 9.571 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.961 0.407 11.121 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.545 1.647 10.028 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.273 0.371 9.292 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.306 -1.089 9.219 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.405 -1.263 11.705 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.400 0.178 11.758 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.495 -1.975 10.081 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.354 -0.448 13.264 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -13.846 -1.211 13.823 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.371 -3.008 10.841 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -14.981 -2.651 12.460 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.454 -1.866 9.971 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.402 -3.313 9.974 1.00 0.26 C ATOM 1298 C LYS A 405 -8.614 -3.849 10.705 1.00 0.27 C ATOM 1299 O LYS A 405 -8.911 -3.414 11.821 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.119 -3.823 10.628 1.00 0.31 C ATOM 1301 CG LYS A 405 -4.873 -3.517 9.820 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.674 -4.308 10.314 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.356 -4.012 11.769 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.273 -4.892 12.280 1.00 1.73 N ATOM 0 H LYS A 405 -7.039 -1.423 10.791 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.406 -3.666 8.943 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.021 -3.376 11.617 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.196 -4.901 10.771 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.054 -3.748 8.770 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.654 -2.451 9.878 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.869 -5.374 10.195 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -2.806 -4.073 9.698 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.058 -2.969 11.872 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -4.253 -4.148 12.373 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -2.081 -4.663 13.276 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -2.568 -5.886 12.204 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.411 -4.743 11.718 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.326 -4.764 10.066 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.516 -5.340 10.653 1.00 0.27 C ATOM 1320 C GLU A 406 -10.184 -6.074 11.937 1.00 0.29 C ATOM 1321 O GLU A 406 -9.165 -6.763 12.050 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.237 -6.253 9.661 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.117 -5.479 8.695 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.383 -4.948 9.335 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.279 -5.760 9.653 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.489 -3.718 9.521 1.00 0.81 O ATOM 0 H GLU A 406 -9.096 -5.122 9.139 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.196 -4.525 10.901 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.501 -6.826 9.098 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -11.848 -6.970 10.209 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.548 -4.645 8.284 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.384 -6.126 7.859 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.069 -5.899 12.913 1.00 0.34 N ATOM 1334 CA PRO A 407 -10.900 -6.362 14.292 1.00 0.38 C ATOM 1335 C PRO A 407 -10.455 -7.817 14.410 1.00 0.41 C ATOM 1336 O PRO A 407 -11.204 -8.740 14.086 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.309 -6.178 14.883 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.202 -5.970 13.708 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.354 -5.225 12.738 1.00 0.45 C ATOM 0 HA PRO A 407 -10.112 -5.810 14.804 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.612 -7.053 15.458 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.344 -5.324 15.560 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.543 -6.919 13.293 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.092 -5.402 13.979 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.727 -5.307 11.717 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.297 -4.162 12.972 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.225 -8.002 14.879 1.00 0.51 N ATOM 1348 CA GLY A 408 -8.717 -9.328 15.174 1.00 0.60 C ATOM 1349 C GLY A 408 -8.461 -10.175 13.940 1.00 0.56 C ATOM 1350 O GLY A 408 -8.584 -11.399 13.994 1.00 0.66 O ATOM 0 H GLY A 408 -8.565 -7.246 15.062 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -7.789 -9.234 15.738 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.429 -9.845 15.817 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.104 -9.543 12.829 1.00 0.53 N ATOM 1355 CA GLN A 409 -7.825 -10.286 11.608 1.00 0.52 C ATOM 1356 C GLN A 409 -6.435 -9.967 11.067 1.00 0.48 C ATOM 1357 O GLN A 409 -5.825 -8.967 11.457 1.00 0.62 O ATOM 1358 CB GLN A 409 -8.884 -10.010 10.539 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.308 -10.268 11.012 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.281 -10.445 9.866 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -10.927 -10.968 8.812 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.512 -10.005 10.062 1.00 1.10 N ATOM 0 H GLN A 409 -8.002 -8.531 12.748 1.00 0.53 H new ATOM 0 HA GLN A 409 -7.857 -11.346 11.861 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -8.800 -8.973 10.215 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.681 -10.633 9.668 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.323 -11.161 11.637 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -10.635 -9.437 11.636 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.765 -9.577 10.953 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.209 -10.094 9.323 1.00 1.10 H new ATOM 1371 N ARG A 410 -5.937 -10.816 10.172 1.00 0.44 N ATOM 1372 CA ARG A 410 -4.587 -10.648 9.628 1.00 0.41 C ATOM 1373 C ARG A 410 -4.501 -9.456 8.674 1.00 0.34 C ATOM 1374 O ARG A 410 -4.060 -8.373 9.057 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.072 -11.921 8.920 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.099 -13.032 8.697 1.00 0.57 C ATOM 1377 CD ARG A 410 -6.134 -12.696 7.620 1.00 0.62 C ATOM 1378 NE ARG A 410 -5.534 -12.411 6.305 1.00 0.96 N ATOM 1379 CZ ARG A 410 -4.780 -13.274 5.608 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -4.551 -14.501 6.059 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -4.279 -12.915 4.432 1.00 2.29 N ATOM 0 H ARG A 410 -6.442 -11.624 9.808 1.00 0.44 H new ATOM 0 HA ARG A 410 -3.944 -10.456 10.487 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -3.663 -11.633 7.951 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -3.248 -12.329 9.505 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -4.578 -13.947 8.417 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -5.615 -13.234 9.636 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -6.830 -13.529 7.521 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -6.715 -11.832 7.941 1.00 0.62 H new ATOM 0 HE ARG A 410 -5.704 -11.492 5.896 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -4.951 -14.800 6.948 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -3.975 -15.145 5.516 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -4.468 -11.984 4.060 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -3.705 -13.570 3.901 1.00 2.29 H new ATOM 1395 N LEU A 411 -4.924 -9.664 7.437 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.833 -8.631 6.413 1.00 0.15 C ATOM 1397 C LEU A 411 -6.209 -8.260 5.884 1.00 0.11 C ATOM 1398 O LEU A 411 -6.367 -7.908 4.714 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.908 -9.055 5.272 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.429 -9.168 5.649 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.902 -10.569 5.383 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.622 -8.146 4.874 1.00 0.16 C ATOM 0 H LEU A 411 -5.335 -10.541 7.116 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.401 -7.746 6.880 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.245 -10.018 4.890 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -4.007 -8.337 4.458 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.329 -8.970 6.716 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.849 -10.620 5.660 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.468 -11.289 5.974 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.010 -10.804 4.324 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.570 -8.231 5.146 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.736 -8.327 3.805 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.979 -7.144 5.112 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.212 -8.394 6.737 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.538 -7.904 6.420 1.00 0.10 C ATOM 1416 C LEU A 412 -8.629 -6.460 6.842 1.00 0.09 C ATOM 1417 O LEU A 412 -8.389 -6.131 7.998 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.612 -8.724 7.123 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.806 -9.095 6.260 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.114 -7.986 5.294 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.528 -10.385 5.526 1.00 0.15 C ATOM 0 H LEU A 412 -7.131 -8.838 7.652 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.705 -7.995 5.347 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.158 -9.640 7.502 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -9.968 -8.163 7.987 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.677 -9.241 6.899 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.972 -8.265 4.682 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.344 -7.075 5.847 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.251 -7.813 4.652 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.388 -10.645 4.909 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.651 -10.261 4.891 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.344 -11.182 6.247 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.955 -5.606 5.900 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.916 -4.173 6.138 1.00 0.10 C ATOM 1435 C PHE A 413 -10.244 -3.537 5.773 1.00 0.09 C ATOM 1436 O PHE A 413 -11.182 -4.217 5.352 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.801 -3.496 5.333 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.433 -4.098 5.491 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.086 -4.823 6.618 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.494 -3.938 4.495 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.826 -5.374 6.745 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.240 -4.483 4.616 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.902 -5.203 5.743 1.00 0.14 C ATOM 0 H PHE A 413 -9.251 -5.873 4.961 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.716 -4.030 7.200 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.071 -3.523 4.277 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.753 -2.446 5.623 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.810 -4.959 7.408 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.748 -3.377 3.608 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.568 -5.938 7.629 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.516 -4.348 3.826 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.915 -5.631 5.837 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.306 -2.227 5.926 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.521 -1.484 5.678 1.00 0.10 C ATOM 1455 C ARG A 414 -11.205 -0.113 5.099 1.00 0.09 C ATOM 1456 O ARG A 414 -10.540 0.698 5.751 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.281 -1.318 6.987 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.596 -0.583 6.845 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.270 -0.398 8.194 1.00 0.35 C ATOM 1460 NE ARG A 414 -15.711 -0.201 8.064 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.297 0.984 7.896 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -15.568 2.091 7.855 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -17.615 1.057 7.777 1.00 2.09 N ATOM 0 H ARG A 414 -9.517 -1.653 6.225 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.128 -2.033 4.958 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.471 -2.303 7.413 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.651 -0.781 7.696 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.424 0.390 6.385 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.256 -1.138 6.179 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -14.078 -1.271 8.818 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -13.831 0.460 8.704 1.00 0.35 H new ATOM 0 HE ARG A 414 -16.309 -1.026 8.105 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -14.554 2.038 7.952 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -16.021 2.996 7.726 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -18.178 0.207 7.814 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -18.066 1.963 7.648 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.666 0.140 3.883 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.570 1.473 3.302 1.00 0.11 C ATOM 1479 C PHE A 415 -12.623 2.377 3.929 1.00 0.12 C ATOM 1480 O PHE A 415 -13.803 2.289 3.605 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.762 1.449 1.778 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.510 1.173 0.989 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.584 2.182 0.786 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.264 -0.078 0.438 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.436 1.953 0.057 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.112 -0.314 -0.295 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.198 0.705 -0.483 1.00 0.21 C ATOM 0 H PHE A 415 -12.108 -0.555 3.281 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.570 1.855 3.508 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.505 0.690 1.531 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.170 2.409 1.462 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.763 3.162 1.204 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.978 -0.875 0.582 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.723 2.750 -0.092 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.929 -1.291 -0.718 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.298 0.525 -1.052 1.00 0.21 H new ATOM 1497 N MET A 416 -12.197 3.233 4.841 1.00 0.14 N ATOM 1498 CA MET A 416 -13.118 4.120 5.537 1.00 0.17 C ATOM 1499 C MET A 416 -13.547 5.264 4.630 1.00 0.20 C ATOM 1500 O MET A 416 -14.570 5.910 4.868 1.00 0.29 O ATOM 1501 CB MET A 416 -12.481 4.667 6.813 1.00 0.23 C ATOM 1502 CG MET A 416 -12.109 3.587 7.817 1.00 0.30 C ATOM 1503 SD MET A 416 -11.556 4.261 9.396 1.00 1.30 S ATOM 1504 CE MET A 416 -13.034 5.134 9.916 1.00 1.23 C ATOM 0 H MET A 416 -11.221 3.334 5.118 1.00 0.14 H new ATOM 0 HA MET A 416 -14.002 3.544 5.812 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.586 5.231 6.550 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.172 5.367 7.283 1.00 0.23 H new ATOM 0 HG2 MET A 416 -12.971 2.941 7.985 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.320 2.963 7.397 1.00 0.30 H new ATOM 0 HE1 MET A 416 -13.007 5.285 10.995 1.00 1.23 H new ATOM 0 HE2 MET A 416 -13.081 6.101 9.415 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.914 4.547 9.654 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.751 5.514 3.600 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.086 6.504 2.596 1.00 0.21 C ATOM 1516 C LYS A 417 -12.404 6.180 1.275 1.00 0.22 C ATOM 1517 O LYS A 417 -11.400 5.469 1.239 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.710 7.908 3.063 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.263 8.072 3.489 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.931 9.542 3.710 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.851 9.733 4.758 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.317 9.317 6.106 1.00 0.61 N ATOM 0 H LYS A 417 -11.863 5.039 3.441 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.165 6.476 2.444 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.918 8.612 2.257 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.353 8.182 3.899 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.083 7.511 4.406 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.605 7.656 2.726 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.604 9.985 2.769 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.831 10.074 4.017 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -8.969 9.154 4.482 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.549 10.780 4.784 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.599 9.570 6.815 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.210 9.801 6.329 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.468 8.288 6.119 1.00 0.61 H new ATOM 1536 N THR A 418 -12.965 6.714 0.206 1.00 0.24 N ATOM 1537 CA THR A 418 -12.517 6.416 -1.149 1.00 0.26 C ATOM 1538 C THR A 418 -11.649 7.542 -1.711 1.00 0.23 C ATOM 1539 O THR A 418 -11.598 8.628 -1.131 1.00 0.21 O ATOM 1540 CB THR A 418 -13.734 6.186 -2.070 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.673 7.267 -1.938 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.417 4.872 -1.731 1.00 0.40 C ATOM 0 H THR A 418 -13.746 7.368 0.249 1.00 0.24 H new ATOM 0 HA THR A 418 -11.913 5.510 -1.109 1.00 0.26 H new ATOM 0 HB THR A 418 -13.379 6.145 -3.100 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.080 7.240 -1.047 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.273 4.726 -2.390 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.713 4.051 -1.864 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.756 4.895 -0.695 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.950 7.287 -2.845 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.082 8.268 -3.517 1.00 0.24 C ATOM 1552 C PRO A 419 -10.618 9.696 -3.497 1.00 0.28 C ATOM 1553 O PRO A 419 -9.944 10.603 -3.010 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.054 7.741 -4.948 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.106 6.261 -4.794 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.937 5.992 -3.563 1.00 0.28 C ATOM 0 HA PRO A 419 -9.113 8.348 -3.025 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.901 8.111 -5.525 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.151 8.055 -5.470 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.551 5.794 -5.673 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.104 5.846 -4.685 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.945 5.672 -3.825 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.500 5.202 -2.952 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.833 9.886 -4.004 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.422 11.223 -4.115 1.00 0.43 C ATOM 1566 C ASP A 420 -12.485 11.920 -2.759 1.00 0.40 C ATOM 1567 O ASP A 420 -12.222 13.118 -2.652 1.00 0.44 O ATOM 1568 CB ASP A 420 -13.821 11.141 -4.725 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.476 12.500 -4.847 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.067 13.284 -5.729 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.410 12.786 -4.069 1.00 0.85 O ATOM 0 H ASP A 420 -12.431 9.133 -4.345 1.00 0.34 H new ATOM 0 HA ASP A 420 -11.780 11.813 -4.769 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -13.758 10.681 -5.711 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.446 10.493 -4.110 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.811 11.156 -1.725 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.884 11.684 -0.372 1.00 0.35 C ATOM 1578 C GLU A 421 -11.506 12.105 0.125 1.00 0.32 C ATOM 1579 O GLU A 421 -11.352 13.142 0.769 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.467 10.634 0.564 1.00 0.34 C ATOM 1581 CG GLU A 421 -14.933 10.366 0.314 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.426 9.145 1.052 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.253 8.026 0.528 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -15.983 9.297 2.161 1.00 0.51 O ATOM 0 H GLU A 421 -13.030 10.163 -1.800 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.530 12.562 -0.384 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -12.909 9.704 0.450 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.334 10.961 1.595 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.516 11.234 0.622 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.099 10.233 -0.755 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.505 11.297 -0.202 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.147 11.513 0.282 1.00 0.24 C ATOM 1593 C ILE A 422 -8.459 12.653 -0.468 1.00 0.29 C ATOM 1594 O ILE A 422 -7.581 13.320 0.079 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.298 10.233 0.138 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.063 9.034 0.700 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.961 10.399 0.858 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.432 7.702 0.371 1.00 0.18 C ATOM 0 H ILE A 422 -10.610 10.481 -0.805 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.226 11.780 1.336 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.099 10.058 -0.919 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.134 9.135 1.783 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.081 9.049 0.311 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.373 9.488 0.748 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.416 11.238 0.425 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.139 10.590 1.916 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -9.030 6.900 0.803 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.386 7.579 -0.711 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.424 7.665 0.784 1.00 0.18 H new ATOM 1610 N MET A 423 -8.862 12.875 -1.719 1.00 0.36 N ATOM 1611 CA MET A 423 -8.261 13.910 -2.560 1.00 0.46 C ATOM 1612 C MET A 423 -8.384 15.296 -1.932 1.00 0.55 C ATOM 1613 O MET A 423 -7.540 16.164 -2.155 1.00 0.71 O ATOM 1614 CB MET A 423 -8.909 13.911 -3.944 1.00 0.56 C ATOM 1615 CG MET A 423 -8.642 12.649 -4.746 1.00 0.59 C ATOM 1616 SD MET A 423 -9.422 12.682 -6.370 1.00 0.83 S ATOM 1617 CE MET A 423 -8.886 11.108 -7.031 1.00 1.83 C ATOM 0 H MET A 423 -9.607 12.348 -2.175 1.00 0.36 H new ATOM 0 HA MET A 423 -7.200 13.677 -2.653 1.00 0.46 H new ATOM 0 HB2 MET A 423 -9.986 14.038 -3.831 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.544 14.771 -4.505 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.566 12.520 -4.866 1.00 0.59 H new ATOM 0 HG3 MET A 423 -9.006 11.785 -4.190 1.00 0.59 H new ATOM 0 HE1 MET A 423 -9.288 10.979 -8.036 1.00 1.83 H new ATOM 0 HE2 MET A 423 -7.797 11.082 -7.070 1.00 1.83 H new ATOM 0 HE3 MET A 423 -9.246 10.303 -6.390 1.00 1.83 H new ATOM 1627 N SER A 424 -9.425 15.497 -1.140 1.00 0.60 N ATOM 1628 CA SER A 424 -9.623 16.763 -0.453 1.00 0.72 C ATOM 1629 C SER A 424 -9.117 16.658 0.987 1.00 0.74 C ATOM 1630 O SER A 424 -9.497 17.439 1.863 1.00 0.94 O ATOM 1631 CB SER A 424 -11.104 17.152 -0.491 1.00 1.07 C ATOM 1632 OG SER A 424 -11.300 18.505 -0.112 1.00 1.70 O ATOM 0 H SER A 424 -10.146 14.799 -0.957 1.00 0.60 H new ATOM 0 HA SER A 424 -9.054 17.543 -0.958 1.00 0.72 H new ATOM 0 HB2 SER A 424 -11.496 16.995 -1.496 1.00 1.07 H new ATOM 0 HB3 SER A 424 -11.669 16.501 0.177 1.00 1.07 H new ATOM 0 HG SER A 424 -10.807 18.688 0.715 1.00 1.70 H new ATOM 1638 N GLY A 425 -8.254 15.680 1.221 1.00 0.81 N ATOM 1639 CA GLY A 425 -7.726 15.455 2.546 1.00 1.23 C ATOM 1640 C GLY A 425 -6.218 15.587 2.602 1.00 0.79 C ATOM 1641 O GLY A 425 -5.659 16.592 2.166 1.00 1.10 O ATOM 0 H GLY A 425 -7.910 15.035 0.510 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -8.175 16.167 3.238 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -8.013 14.459 2.883 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.559 14.552 3.109 1.00 0.59 N ATOM 1646 CA ARG A 426 -4.126 14.612 3.401 1.00 0.47 C ATOM 1647 C ARG A 426 -3.293 13.997 2.280 1.00 0.40 C ATOM 1648 O ARG A 426 -2.233 13.421 2.531 1.00 0.47 O ATOM 1649 CB ARG A 426 -3.830 13.873 4.703 1.00 0.94 C ATOM 1650 CG ARG A 426 -4.782 14.220 5.821 1.00 1.03 C ATOM 1651 CD ARG A 426 -4.800 15.709 6.097 1.00 1.41 C ATOM 1652 NE ARG A 426 -5.906 16.086 6.967 1.00 1.79 N ATOM 1653 CZ ARG A 426 -6.506 17.271 6.921 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -6.073 18.204 6.081 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -7.538 17.524 7.711 1.00 2.85 N ATOM 0 H ARG A 426 -5.994 13.656 3.328 1.00 0.59 H new ATOM 0 HA ARG A 426 -3.855 15.664 3.493 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -3.873 12.799 4.520 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -2.812 14.102 5.019 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -5.786 13.886 5.561 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -4.492 13.685 6.726 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -3.858 16.004 6.559 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -4.877 16.252 5.155 1.00 1.41 H new ATOM 0 HE ARG A 426 -6.238 15.403 7.648 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -5.279 18.012 5.470 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -6.534 19.113 6.047 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -7.874 16.809 8.356 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -7.997 18.434 7.674 1.00 2.85 H new ATOM 1669 N THR A 427 -3.764 14.123 1.052 1.00 0.36 N ATOM 1670 CA THR A 427 -3.086 13.518 -0.084 1.00 0.33 C ATOM 1671 C THR A 427 -1.706 14.125 -0.322 1.00 0.37 C ATOM 1672 O THR A 427 -0.820 13.461 -0.855 1.00 0.38 O ATOM 1673 CB THR A 427 -3.919 13.653 -1.365 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.464 14.981 -1.457 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.036 12.624 -1.399 1.00 0.33 C ATOM 0 H THR A 427 -4.612 14.638 0.815 1.00 0.36 H new ATOM 0 HA THR A 427 -2.963 12.463 0.162 1.00 0.33 H new ATOM 0 HB THR A 427 -3.267 13.473 -2.220 1.00 0.35 H new ATOM 0 HG1 THR A 427 -4.993 15.061 -2.278 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.611 12.742 -2.317 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.609 11.622 -1.364 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.691 12.769 -0.540 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.525 15.375 0.093 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.265 16.081 -0.123 1.00 0.54 C ATOM 1685 C ASP A 428 0.884 15.360 0.571 1.00 0.55 C ATOM 1686 O ASP A 428 1.964 15.192 0.003 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.362 17.531 0.376 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.579 17.635 1.877 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.739 17.508 2.325 1.00 1.53 O ATOM 1690 OD2 ASP A 428 0.408 17.847 2.615 1.00 1.76 O ATOM 0 H ASP A 428 -2.235 15.921 0.581 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.067 16.096 -1.195 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.552 18.062 0.110 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.182 18.031 -0.139 1.00 0.67 H new ATOM 1695 N ARG A 429 0.631 14.911 1.788 1.00 0.54 N ATOM 1696 CA ARG A 429 1.637 14.212 2.575 1.00 0.58 C ATOM 1697 C ARG A 429 1.853 12.812 2.031 1.00 0.45 C ATOM 1698 O ARG A 429 2.945 12.268 2.113 1.00 0.46 O ATOM 1699 CB ARG A 429 1.201 14.147 4.038 1.00 0.72 C ATOM 1700 CG ARG A 429 2.225 13.505 4.958 1.00 0.88 C ATOM 1701 CD ARG A 429 1.778 13.564 6.409 1.00 1.22 C ATOM 1702 NE ARG A 429 1.615 14.940 6.882 1.00 1.86 N ATOM 1703 CZ ARG A 429 1.696 15.302 8.162 1.00 2.48 C ATOM 1704 NH1 ARG A 429 1.905 14.386 9.100 1.00 2.68 N ATOM 1705 NH2 ARG A 429 1.569 16.579 8.501 1.00 3.43 N ATOM 0 H ARG A 429 -0.268 15.018 2.257 1.00 0.54 H new ATOM 0 HA ARG A 429 2.577 14.759 2.509 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.994 15.157 4.390 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.267 13.589 4.104 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.380 12.467 4.665 1.00 0.88 H new ATOM 0 HG3 ARG A 429 3.183 14.013 4.850 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.834 13.030 6.519 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.509 13.051 7.034 1.00 1.22 H new ATOM 0 HE ARG A 429 1.428 15.666 6.190 1.00 1.86 H new ATOM 0 HH11 ARG A 429 2.004 13.404 8.841 1.00 2.68 H new ATOM 0 HH12 ARG A 429 1.967 14.664 10.079 1.00 2.68 H new ATOM 0 HH21 ARG A 429 1.409 17.284 7.782 1.00 3.43 H new ATOM 0 HH22 ARG A 429 1.631 16.855 9.481 1.00 3.43 H new ATOM 1719 N LEU A 430 0.805 12.247 1.458 1.00 0.38 N ATOM 1720 CA LEU A 430 0.841 10.893 0.939 1.00 0.32 C ATOM 1721 C LEU A 430 1.611 10.834 -0.369 1.00 0.30 C ATOM 1722 O LEU A 430 2.462 9.968 -0.562 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.581 10.407 0.729 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.444 10.414 1.982 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.874 10.041 1.630 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.867 9.458 3.012 1.00 0.61 C ATOM 0 H LEU A 430 -0.094 12.714 1.340 1.00 0.38 H new ATOM 0 HA LEU A 430 1.350 10.250 1.657 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.057 11.031 -0.027 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.549 9.393 0.331 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.451 11.416 2.412 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.485 10.048 2.533 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.273 10.762 0.916 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.892 9.045 1.188 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.490 9.468 3.907 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.842 8.450 2.599 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.145 9.769 3.271 1.00 0.61 H new ATOM 1738 N GLU A 431 1.299 11.767 -1.261 1.00 0.31 N ATOM 1739 CA GLU A 431 2.002 11.894 -2.527 1.00 0.35 C ATOM 1740 C GLU A 431 3.489 12.080 -2.281 1.00 0.39 C ATOM 1741 O GLU A 431 4.336 11.614 -3.045 1.00 0.44 O ATOM 1742 CB GLU A 431 1.447 13.079 -3.293 1.00 0.39 C ATOM 1743 CG GLU A 431 0.090 12.806 -3.906 1.00 0.50 C ATOM 1744 CD GLU A 431 0.186 12.385 -5.355 1.00 1.35 C ATOM 1745 OE1 GLU A 431 0.686 13.188 -6.169 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.264 11.281 -5.698 1.00 2.30 O ATOM 0 H GLU A 431 0.555 12.452 -1.126 1.00 0.31 H new ATOM 0 HA GLU A 431 1.858 10.987 -3.113 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.371 13.934 -2.622 1.00 0.39 H new ATOM 0 HB3 GLU A 431 2.147 13.354 -4.082 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.413 12.025 -3.336 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.526 13.702 -3.831 1.00 0.50 H new ATOM 1753 N HIS A 432 3.784 12.767 -1.191 1.00 0.39 N ATOM 1754 CA HIS A 432 5.150 13.006 -0.770 1.00 0.45 C ATOM 1755 C HIS A 432 5.721 11.754 -0.112 1.00 0.44 C ATOM 1756 O HIS A 432 6.876 11.385 -0.328 1.00 0.52 O ATOM 1757 CB HIS A 432 5.164 14.169 0.220 1.00 0.50 C ATOM 1758 CG HIS A 432 6.453 14.920 0.261 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.592 16.183 -0.264 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.655 14.592 0.778 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.826 16.602 -0.072 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.496 15.655 0.559 1.00 0.77 N ATOM 0 H HIS A 432 3.081 13.174 -0.574 1.00 0.39 H new ATOM 0 HA HIS A 432 5.764 13.252 -1.636 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.361 14.860 -0.037 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.948 13.786 1.217 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.909 13.666 1.272 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.223 17.558 -0.379 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.476 15.705 0.838 1.00 0.77 H new ATOM 1771 N LEU A 433 4.884 11.103 0.684 1.00 0.39 N ATOM 1772 CA LEU A 433 5.272 9.936 1.453 1.00 0.40 C ATOM 1773 C LEU A 433 5.653 8.773 0.556 1.00 0.36 C ATOM 1774 O LEU A 433 6.625 8.094 0.840 1.00 0.35 O ATOM 1775 CB LEU A 433 4.131 9.528 2.391 1.00 0.53 C ATOM 1776 CG LEU A 433 4.556 8.807 3.671 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.022 7.394 3.372 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.659 9.585 4.362 1.00 0.73 C ATOM 0 H LEU A 433 3.909 11.375 0.813 1.00 0.39 H new ATOM 0 HA LEU A 433 6.151 10.200 2.041 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.573 10.423 2.667 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.446 8.882 1.842 1.00 0.53 H new ATOM 0 HG LEU A 433 3.691 8.746 4.332 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.318 6.905 4.300 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.210 6.833 2.909 1.00 0.91 H new ATOM 0 HD13 LEU A 433 5.873 7.428 2.692 1.00 0.91 H new ATOM 0 HD21 LEU A 433 5.956 9.065 5.273 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.518 9.669 3.696 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.298 10.582 4.615 1.00 0.73 H new ATOM 1790 N GLU A 434 4.901 8.553 -0.520 1.00 0.40 N ATOM 1791 CA GLU A 434 5.140 7.399 -1.390 1.00 0.45 C ATOM 1792 C GLU A 434 6.599 7.274 -1.784 1.00 0.45 C ATOM 1793 O GLU A 434 7.209 6.234 -1.583 1.00 0.56 O ATOM 1794 CB GLU A 434 4.261 7.440 -2.626 1.00 0.66 C ATOM 1795 CG GLU A 434 2.830 7.053 -2.329 1.00 0.80 C ATOM 1796 CD GLU A 434 2.012 6.864 -3.586 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.978 7.784 -4.430 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.434 5.777 -3.760 1.00 1.47 O ATOM 0 H GLU A 434 4.127 9.151 -0.810 1.00 0.40 H new ATOM 0 HA GLU A 434 4.875 6.515 -0.810 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.282 8.444 -3.050 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.668 6.766 -3.380 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.819 6.130 -1.749 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.369 7.823 -1.711 1.00 0.80 H new ATOM 1805 N SER A 435 7.165 8.346 -2.286 1.00 0.46 N ATOM 1806 CA SER A 435 8.551 8.363 -2.668 1.00 0.53 C ATOM 1807 C SER A 435 9.448 7.984 -1.499 1.00 0.50 C ATOM 1808 O SER A 435 10.458 7.291 -1.647 1.00 0.58 O ATOM 1809 CB SER A 435 8.880 9.755 -3.113 1.00 0.62 C ATOM 1810 OG SER A 435 8.342 10.037 -4.396 1.00 1.01 O ATOM 0 H SER A 435 6.676 9.228 -2.440 1.00 0.46 H new ATOM 0 HA SER A 435 8.719 7.639 -3.466 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.489 10.470 -2.389 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.962 9.884 -3.136 1.00 0.62 H new ATOM 0 HG SER A 435 8.574 10.953 -4.654 1.00 1.01 H new ATOM 1816 N GLN A 436 9.042 8.454 -0.342 1.00 0.43 N ATOM 1817 CA GLN A 436 9.810 8.308 0.884 1.00 0.48 C ATOM 1818 C GLN A 436 9.712 6.895 1.451 1.00 0.45 C ATOM 1819 O GLN A 436 10.717 6.321 1.841 1.00 0.51 O ATOM 1820 CB GLN A 436 9.351 9.334 1.919 1.00 0.52 C ATOM 1821 CG GLN A 436 9.653 10.769 1.517 1.00 0.77 C ATOM 1822 CD GLN A 436 9.319 11.774 2.605 1.00 0.77 C ATOM 1823 OE1 GLN A 436 9.957 12.821 2.715 1.00 1.27 O ATOM 1824 NE2 GLN A 436 8.315 11.472 3.412 1.00 1.38 N ATOM 0 H GLN A 436 8.162 8.954 -0.219 1.00 0.43 H new ATOM 0 HA GLN A 436 10.857 8.489 0.643 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.278 9.226 2.076 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.836 9.121 2.872 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.710 10.854 1.263 1.00 0.77 H new ATOM 0 HG3 GLN A 436 9.088 11.015 0.618 1.00 0.77 H new ATOM 0 HE21 GLN A 436 7.809 10.595 3.290 1.00 1.38 H new ATOM 0 HE22 GLN A 436 8.047 12.117 4.156 1.00 1.38 H new ATOM 1833 N VAL A 437 8.502 6.342 1.500 1.00 0.38 N ATOM 1834 CA VAL A 437 8.299 4.980 1.995 1.00 0.38 C ATOM 1835 C VAL A 437 9.004 3.973 1.094 1.00 0.42 C ATOM 1836 O VAL A 437 9.565 2.981 1.562 1.00 0.49 O ATOM 1837 CB VAL A 437 6.796 4.624 2.127 1.00 0.33 C ATOM 1838 CG1 VAL A 437 5.998 5.113 0.937 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.607 3.128 2.279 1.00 0.38 C ATOM 0 H VAL A 437 7.648 6.814 1.204 1.00 0.38 H new ATOM 0 HA VAL A 437 8.734 4.932 2.993 1.00 0.38 H new ATOM 0 HB VAL A 437 6.428 5.128 3.021 1.00 0.33 H new ATOM 0 HG11 VAL A 437 4.950 4.844 1.067 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.088 6.196 0.859 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.381 4.651 0.027 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.544 2.903 2.370 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.012 2.619 1.404 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.128 2.784 3.172 1.00 0.38 H new ATOM 1849 N LEU A 438 9.016 4.265 -0.195 1.00 0.41 N ATOM 1850 CA LEU A 438 9.699 3.427 -1.168 1.00 0.48 C ATOM 1851 C LEU A 438 11.211 3.483 -0.954 1.00 0.55 C ATOM 1852 O LEU A 438 11.970 2.715 -1.547 1.00 0.62 O ATOM 1853 CB LEU A 438 9.330 3.895 -2.575 1.00 0.48 C ATOM 1854 CG LEU A 438 7.824 3.876 -2.861 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.510 4.387 -4.256 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.250 2.486 -2.650 1.00 0.54 C ATOM 0 H LEU A 438 8.557 5.083 -0.596 1.00 0.41 H new ATOM 0 HA LEU A 438 9.385 2.391 -1.042 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.705 4.908 -2.720 1.00 0.48 H new ATOM 0 HB3 LEU A 438 9.836 3.261 -3.303 1.00 0.48 H new ATOM 0 HG LEU A 438 7.349 4.553 -2.152 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.433 4.358 -4.420 1.00 0.51 H new ATOM 0 HD12 LEU A 438 7.865 5.413 -4.356 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.007 3.758 -4.994 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.180 2.498 -2.859 1.00 0.54 H new ATOM 0 HD22 LEU A 438 7.743 1.783 -3.322 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.414 2.177 -1.618 1.00 0.54 H new