USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 432 HIS : no HD1:sc= -0.393 K(o=-0.78,f=0.16) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.383 X(o=-0.78,f=-0.28) USER MOD Set 2.1: A 401 ASN : amide:sc= -1.47 K(o=-0.39,f=-2.6) USER MOD Set 2.2: A 417 LYS NZ :NH3+ -177:sc= 1.07 (180deg=1.31) USER MOD Set 3.1: A 398 TYR OH : rot 180:sc= 1.04 USER MOD Set 3.2: A 405 LYS NZ :NH3+ 179:sc= 1.16 (180deg=0) USER MOD Set 4.1: A 370 ASN : amide:sc= 0.489 K(o=1.5,f=-1.1) USER MOD Set 4.2: A 386 THR OG1 : rot -37:sc= 0.967 USER MOD Single : A 340 TYR OH : rot 80:sc= -1.21 USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 343 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.034) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0.014 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= -6.41! K(o=-6.4!,f=-0.94) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 362 LYS NZ :NH3+ 168:sc= -0.071 (180deg=-0.293) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 379 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -131:sc= 1.11 (180deg=0.749) USER MOD Single : A 381 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 387 TYR OH : rot -123:sc= 0.159 USER MOD Single : A 389 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.043) USER MOD Single : A 390 MET CE :methyl 143:sc= -1.99 (180deg=-4.32!) USER MOD Single : A 391 SER OG : rot -52:sc= 1.44 USER MOD Single : A 396 HIS : no HE2:sc= -0.317 K(o=-0.32,f=-1.6) USER MOD Single : A 397 TYR OH : rot -115:sc= -3.08! USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -1.98! K(o=-2!,f=-1.4) USER MOD Single : A 416 MET CE :methyl 163:sc= -0.21 (180deg=-0.695) USER MOD Single : A 418 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 423 MET CE :methyl 178:sc= -1.74 (180deg=-1.75) USER MOD Single : A 424 SER OG : rot 81:sc= 0.21 USER MOD Single : A 427 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.879 7.491 -5.907 1.00 1.08 N ATOM 81 CA LEU A 336 -1.538 7.025 -4.573 1.00 0.60 C ATOM 82 C LEU A 336 -1.804 5.529 -4.388 1.00 0.50 C ATOM 83 O LEU A 336 -2.572 4.925 -5.144 1.00 0.62 O ATOM 84 CB LEU A 336 -2.325 7.818 -3.525 1.00 0.36 C ATOM 85 CG LEU A 336 -2.043 9.325 -3.443 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.660 9.915 -2.184 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.558 9.614 -3.472 1.00 0.39 C ATOM 0 HA LEU A 336 -0.468 7.186 -4.442 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.388 7.681 -3.723 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -2.124 7.381 -2.547 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.497 9.791 -4.317 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.450 10.984 -2.142 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.738 9.757 -2.199 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.234 9.427 -1.307 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.396 10.690 -3.412 1.00 0.39 H new ATOM 0 HD22 LEU A 336 -0.076 9.127 -2.625 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.131 9.234 -4.400 1.00 0.39 H new ATOM 99 N LEU A 337 -1.179 4.954 -3.368 1.00 0.39 N ATOM 100 CA LEU A 337 -1.295 3.529 -3.066 1.00 0.30 C ATOM 101 C LEU A 337 -2.751 3.078 -2.992 1.00 0.26 C ATOM 102 O LEU A 337 -3.131 2.112 -3.659 1.00 0.25 O ATOM 103 CB LEU A 337 -0.569 3.236 -1.744 1.00 0.32 C ATOM 104 CG LEU A 337 -1.039 2.004 -0.958 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.675 0.712 -1.668 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.436 2.017 0.433 1.00 0.39 C ATOM 0 H LEU A 337 -0.575 5.463 -2.723 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.831 2.965 -3.876 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.493 3.118 -1.958 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.669 4.109 -1.100 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.126 2.050 -0.886 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.024 -0.137 -1.080 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.146 0.692 -2.651 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.407 0.653 -1.783 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.774 1.140 0.984 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.651 2.002 0.358 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.751 2.919 0.958 1.00 0.39 H new ATOM 118 N TRP A 338 -3.568 3.794 -2.219 1.00 0.25 N ATOM 119 CA TRP A 338 -4.958 3.398 -2.006 1.00 0.24 C ATOM 120 C TRP A 338 -5.747 3.324 -3.315 1.00 0.24 C ATOM 121 O TRP A 338 -6.727 2.587 -3.408 1.00 0.24 O ATOM 122 CB TRP A 338 -5.669 4.296 -0.976 1.00 0.24 C ATOM 123 CG TRP A 338 -5.458 5.773 -1.145 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.752 6.590 -0.314 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.972 6.613 -2.182 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.790 7.878 -0.771 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.529 7.920 -1.920 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.756 6.389 -3.307 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.848 8.993 -2.746 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.067 7.453 -4.125 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.615 8.740 -3.842 1.00 0.28 C ATOM 0 H TRP A 338 -3.292 4.647 -1.733 1.00 0.25 H new ATOM 0 HA TRP A 338 -4.926 2.391 -1.590 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.739 4.093 -1.021 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.332 4.011 0.021 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.236 6.266 0.578 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.340 8.678 -0.326 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.116 5.397 -3.536 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.500 9.991 -2.526 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.673 7.286 -5.003 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.878 9.552 -4.504 1.00 0.28 H new ATOM 142 N ASP A 339 -5.324 4.073 -4.324 1.00 0.25 N ATOM 143 CA ASP A 339 -6.027 4.075 -5.604 1.00 0.27 C ATOM 144 C ASP A 339 -5.665 2.833 -6.405 1.00 0.26 C ATOM 145 O ASP A 339 -6.521 2.210 -7.035 1.00 0.33 O ATOM 146 CB ASP A 339 -5.695 5.334 -6.403 1.00 0.36 C ATOM 147 CG ASP A 339 -6.522 5.447 -7.667 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.679 5.909 -7.581 1.00 1.80 O ATOM 149 OD2 ASP A 339 -6.020 5.081 -8.749 1.00 1.19 O ATOM 0 H ASP A 339 -4.507 4.682 -4.285 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.099 4.068 -5.406 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.865 6.212 -5.780 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.637 5.328 -6.663 1.00 0.36 H new ATOM 154 N TYR A 340 -4.391 2.464 -6.347 1.00 0.22 N ATOM 155 CA TYR A 340 -3.902 1.291 -7.050 1.00 0.20 C ATOM 156 C TYR A 340 -4.468 0.011 -6.439 1.00 0.17 C ATOM 157 O TYR A 340 -4.912 -0.884 -7.157 1.00 0.17 O ATOM 158 CB TYR A 340 -2.373 1.247 -7.025 1.00 0.21 C ATOM 159 CG TYR A 340 -1.815 0.002 -7.665 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.708 -0.105 -9.043 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.411 -1.073 -6.886 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.216 -1.251 -9.630 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.913 -2.221 -7.466 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.820 -2.305 -8.841 1.00 0.24 C ATOM 165 OH TYR A 340 -0.339 -3.451 -9.431 1.00 0.28 O ATOM 0 H TYR A 340 -3.678 2.965 -5.817 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.238 1.359 -8.085 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.980 2.123 -7.541 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.029 1.305 -5.992 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -2.015 0.722 -9.666 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.488 -1.010 -5.811 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.142 -1.321 -10.705 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.598 -3.049 -6.848 1.00 0.18 H new ATOM 0 HH TYR A 340 0.598 -3.319 -9.688 1.00 0.28 H new ATOM 175 N VAL A 341 -4.447 -0.072 -5.115 1.00 0.17 N ATOM 176 CA VAL A 341 -4.968 -1.243 -4.416 1.00 0.15 C ATOM 177 C VAL A 341 -6.473 -1.393 -4.658 1.00 0.15 C ATOM 178 O VAL A 341 -6.977 -2.498 -4.867 1.00 0.15 O ATOM 179 CB VAL A 341 -4.657 -1.182 -2.898 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.001 0.172 -2.313 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.397 -2.273 -2.141 1.00 0.15 C ATOM 0 H VAL A 341 -4.076 0.655 -4.503 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.466 -2.122 -4.820 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.585 -1.343 -2.787 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.770 0.178 -1.248 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.418 0.944 -2.815 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.063 0.370 -2.455 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.159 -2.205 -1.079 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.471 -2.149 -2.281 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -5.092 -3.249 -2.519 1.00 0.15 H new ATOM 191 N TYR A 342 -7.172 -0.266 -4.666 1.00 0.17 N ATOM 192 CA TYR A 342 -8.601 -0.240 -4.957 1.00 0.17 C ATOM 193 C TYR A 342 -8.861 -0.730 -6.384 1.00 0.17 C ATOM 194 O TYR A 342 -9.902 -1.320 -6.674 1.00 0.18 O ATOM 195 CB TYR A 342 -9.141 1.181 -4.765 1.00 0.20 C ATOM 196 CG TYR A 342 -10.647 1.306 -4.860 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.472 0.814 -3.854 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.244 1.930 -5.947 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.845 0.938 -3.933 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.616 2.060 -6.033 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.415 1.563 -5.024 1.00 0.71 C ATOM 202 OH TYR A 342 -14.784 1.695 -5.105 1.00 0.92 O ATOM 0 H TYR A 342 -6.769 0.651 -4.472 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.119 -0.908 -4.269 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.821 1.548 -3.790 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.689 1.831 -5.514 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -11.031 0.327 -2.997 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.624 2.321 -6.740 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.471 0.547 -3.144 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.062 2.549 -6.887 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.019 2.159 -5.935 1.00 0.92 H new ATOM 212 N GLN A 343 -7.901 -0.475 -7.268 1.00 0.18 N ATOM 213 CA GLN A 343 -7.988 -0.898 -8.663 1.00 0.19 C ATOM 214 C GLN A 343 -7.819 -2.414 -8.789 1.00 0.18 C ATOM 215 O GLN A 343 -8.444 -3.046 -9.639 1.00 0.23 O ATOM 216 CB GLN A 343 -6.918 -0.179 -9.494 1.00 0.26 C ATOM 217 CG GLN A 343 -6.967 -0.498 -10.981 1.00 0.71 C ATOM 218 CD GLN A 343 -5.823 0.138 -11.748 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.953 0.470 -12.927 1.00 2.07 O ATOM 220 NE2 GLN A 343 -4.689 0.307 -11.087 1.00 2.22 N ATOM 0 H GLN A 343 -7.044 0.029 -7.039 1.00 0.18 H new ATOM 0 HA GLN A 343 -8.976 -0.634 -9.040 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.032 0.897 -9.360 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -5.934 -0.446 -9.108 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.937 -1.579 -11.119 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -7.914 -0.151 -11.393 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -4.620 0.019 -10.111 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -3.884 0.725 -11.554 1.00 2.22 H new ATOM 229 N LEU A 344 -6.989 -2.993 -7.925 1.00 0.16 N ATOM 230 CA LEU A 344 -6.718 -4.427 -7.962 1.00 0.15 C ATOM 231 C LEU A 344 -7.967 -5.195 -7.565 1.00 0.17 C ATOM 232 O LEU A 344 -8.219 -6.304 -8.037 1.00 0.24 O ATOM 233 CB LEU A 344 -5.583 -4.789 -7.002 1.00 0.15 C ATOM 234 CG LEU A 344 -4.248 -4.087 -7.246 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.258 -4.463 -6.154 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.687 -4.446 -8.613 1.00 0.19 C ATOM 0 H LEU A 344 -6.492 -2.490 -7.190 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.423 -4.694 -8.977 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.908 -4.565 -5.986 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.419 -5.865 -7.054 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.415 -3.010 -7.222 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.309 -3.959 -6.334 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.652 -4.158 -5.185 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.103 -5.542 -6.159 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.737 -3.934 -8.762 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.531 -5.523 -8.671 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.390 -4.139 -9.387 1.00 0.19 H new ATOM 248 N LEU A 345 -8.743 -4.576 -6.692 1.00 0.18 N ATOM 249 CA LEU A 345 -9.952 -5.169 -6.152 1.00 0.20 C ATOM 250 C LEU A 345 -11.020 -5.372 -7.226 1.00 0.25 C ATOM 251 O LEU A 345 -11.933 -6.182 -7.061 1.00 0.36 O ATOM 252 CB LEU A 345 -10.497 -4.267 -5.044 1.00 0.17 C ATOM 253 CG LEU A 345 -9.598 -4.143 -3.816 1.00 0.15 C ATOM 254 CD1 LEU A 345 -10.009 -2.970 -2.942 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.631 -5.430 -3.015 1.00 0.15 C ATOM 0 H LEU A 345 -8.549 -3.640 -6.336 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.700 -6.152 -5.754 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.665 -3.272 -5.455 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.468 -4.649 -4.729 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.580 -3.961 -4.162 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.348 -2.911 -2.077 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.938 -2.046 -3.516 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.036 -3.110 -2.605 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -8.987 -5.331 -2.141 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.652 -5.631 -2.692 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.278 -6.254 -3.635 1.00 0.15 H new ATOM 267 N SER A 346 -10.905 -4.634 -8.318 1.00 0.28 N ATOM 268 CA SER A 346 -11.895 -4.644 -9.357 1.00 0.35 C ATOM 269 C SER A 346 -11.638 -5.729 -10.403 1.00 0.36 C ATOM 270 O SER A 346 -12.452 -5.929 -11.304 1.00 0.54 O ATOM 271 CB SER A 346 -11.885 -3.276 -10.002 1.00 0.46 C ATOM 272 OG SER A 346 -12.077 -2.261 -9.031 1.00 1.06 O ATOM 0 H SER A 346 -10.117 -4.013 -8.500 1.00 0.28 H new ATOM 0 HA SER A 346 -12.868 -4.871 -8.922 1.00 0.35 H new ATOM 0 HB2 SER A 346 -10.937 -3.119 -10.517 1.00 0.46 H new ATOM 0 HB3 SER A 346 -12.671 -3.218 -10.755 1.00 0.46 H new ATOM 0 HG SER A 346 -12.066 -1.384 -9.468 1.00 1.06 H new ATOM 278 N ASP A 347 -10.522 -6.438 -10.286 1.00 0.32 N ATOM 279 CA ASP A 347 -10.174 -7.438 -11.287 1.00 0.34 C ATOM 280 C ASP A 347 -9.911 -8.794 -10.641 1.00 0.34 C ATOM 281 O ASP A 347 -9.310 -8.883 -9.568 1.00 0.43 O ATOM 282 CB ASP A 347 -8.944 -7.004 -12.084 1.00 0.41 C ATOM 283 CG ASP A 347 -8.973 -7.541 -13.502 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.135 -8.769 -13.675 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.837 -6.739 -14.451 1.00 1.18 O ATOM 0 H ASP A 347 -9.853 -6.342 -9.522 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.023 -7.531 -11.964 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.892 -5.915 -12.109 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.043 -7.355 -11.581 1.00 0.41 H new ATOM 290 N SER A 348 -10.362 -9.848 -11.315 1.00 0.40 N ATOM 291 CA SER A 348 -10.220 -11.207 -10.832 1.00 0.43 C ATOM 292 C SER A 348 -8.785 -11.714 -10.975 1.00 0.35 C ATOM 293 O SER A 348 -8.432 -12.746 -10.402 1.00 0.40 O ATOM 294 CB SER A 348 -11.190 -12.115 -11.588 1.00 0.59 C ATOM 295 OG SER A 348 -11.071 -11.934 -12.990 1.00 0.79 O ATOM 0 H SER A 348 -10.837 -9.777 -12.215 1.00 0.40 H new ATOM 0 HA SER A 348 -10.458 -11.221 -9.768 1.00 0.43 H new ATOM 0 HB2 SER A 348 -10.991 -13.156 -11.334 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.212 -11.901 -11.276 1.00 0.59 H new ATOM 0 HG SER A 348 -11.700 -12.527 -13.451 1.00 0.79 H new ATOM 301 N ARG A 349 -7.960 -10.992 -11.744 1.00 0.34 N ATOM 302 CA ARG A 349 -6.549 -11.327 -11.878 1.00 0.37 C ATOM 303 C ARG A 349 -5.913 -11.457 -10.510 1.00 0.31 C ATOM 304 O ARG A 349 -5.299 -12.467 -10.163 1.00 0.42 O ATOM 305 CB ARG A 349 -5.802 -10.233 -12.616 1.00 0.45 C ATOM 306 CG ARG A 349 -6.403 -9.839 -13.940 1.00 0.71 C ATOM 307 CD ARG A 349 -5.465 -8.926 -14.680 1.00 1.07 C ATOM 308 NE ARG A 349 -6.050 -8.404 -15.912 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.498 -7.450 -16.661 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.292 -6.974 -16.373 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.150 -6.981 -17.713 1.00 3.43 N ATOM 0 H ARG A 349 -8.251 -10.174 -12.280 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.488 -12.265 -12.429 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.755 -9.351 -11.978 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -4.776 -10.562 -12.782 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.604 -10.729 -14.537 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.359 -9.340 -13.781 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.186 -8.094 -14.033 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.549 -9.466 -14.917 1.00 1.07 H new ATOM 0 HE ARG A 349 -6.940 -8.796 -16.220 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -3.778 -7.339 -15.571 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -3.880 -6.244 -16.954 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.072 -7.350 -17.948 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -5.731 -6.251 -18.289 1.00 3.43 H new ATOM 325 N TYR A 350 -6.085 -10.402 -9.737 1.00 0.26 N ATOM 326 CA TYR A 350 -5.426 -10.266 -8.460 1.00 0.30 C ATOM 327 C TYR A 350 -6.252 -10.847 -7.322 1.00 0.24 C ATOM 328 O TYR A 350 -6.029 -10.488 -6.185 1.00 0.25 O ATOM 329 CB TYR A 350 -5.173 -8.786 -8.177 1.00 0.40 C ATOM 330 CG TYR A 350 -4.763 -8.011 -9.401 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.472 -8.093 -9.893 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.674 -7.206 -10.074 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.095 -7.397 -11.018 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.303 -6.504 -11.203 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.012 -6.603 -11.671 1.00 0.63 C ATOM 336 OH TYR A 350 -3.635 -5.901 -12.791 1.00 0.72 O ATOM 0 H TYR A 350 -6.687 -9.616 -9.981 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.489 -10.820 -8.515 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.077 -8.343 -7.760 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.395 -8.695 -7.419 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -2.749 -8.714 -9.385 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.687 -7.128 -9.708 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.083 -7.473 -11.388 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.021 -5.881 -11.716 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.400 -5.392 -13.131 1.00 0.72 H new ATOM 346 N GLU A 351 -7.188 -11.744 -7.607 1.00 0.22 N ATOM 347 CA GLU A 351 -8.069 -12.253 -6.551 1.00 0.23 C ATOM 348 C GLU A 351 -7.273 -12.988 -5.467 1.00 0.21 C ATOM 349 O GLU A 351 -7.557 -12.859 -4.280 1.00 0.25 O ATOM 350 CB GLU A 351 -9.166 -13.157 -7.122 1.00 0.31 C ATOM 351 CG GLU A 351 -8.676 -14.497 -7.636 1.00 0.36 C ATOM 352 CD GLU A 351 -9.814 -15.380 -8.097 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.914 -15.286 -7.520 1.00 1.45 O ATOM 354 OE2 GLU A 351 -9.610 -16.182 -9.034 1.00 1.22 O ATOM 0 H GLU A 351 -7.359 -12.130 -8.536 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.551 -11.391 -6.091 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.914 -13.331 -6.349 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.665 -12.631 -7.936 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -7.984 -14.337 -8.463 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -8.119 -15.005 -6.849 1.00 0.36 H new ATOM 361 N ASN A 352 -6.263 -13.740 -5.884 1.00 0.22 N ATOM 362 CA ASN A 352 -5.375 -14.431 -4.976 1.00 0.24 C ATOM 363 C ASN A 352 -4.319 -13.479 -4.406 1.00 0.19 C ATOM 364 O ASN A 352 -3.457 -13.885 -3.632 1.00 0.21 O ATOM 365 CB ASN A 352 -4.709 -15.600 -5.703 1.00 0.32 C ATOM 366 CG ASN A 352 -4.170 -15.243 -7.073 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.013 -16.106 -7.935 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.901 -13.977 -7.297 1.00 1.06 N ATOM 0 H ASN A 352 -6.041 -13.885 -6.869 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.959 -14.814 -4.139 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -3.892 -15.979 -5.089 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -5.431 -16.410 -5.807 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.550 -13.684 -8.209 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -4.043 -13.287 -6.559 1.00 1.06 H new ATOM 375 N PHE A 353 -4.368 -12.221 -4.834 1.00 0.16 N ATOM 376 CA PHE A 353 -3.511 -11.179 -4.279 1.00 0.14 C ATOM 377 C PHE A 353 -4.313 -10.339 -3.301 1.00 0.12 C ATOM 378 O PHE A 353 -3.876 -10.063 -2.188 1.00 0.11 O ATOM 379 CB PHE A 353 -2.965 -10.255 -5.373 1.00 0.16 C ATOM 380 CG PHE A 353 -1.879 -10.843 -6.228 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.184 -11.533 -7.388 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.550 -10.679 -5.882 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.182 -12.057 -8.181 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.456 -11.196 -6.674 1.00 0.25 C ATOM 385 CZ PHE A 353 0.138 -11.888 -7.825 1.00 0.29 C ATOM 0 H PHE A 353 -4.997 -11.897 -5.569 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.673 -11.667 -3.782 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.791 -9.956 -6.018 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.584 -9.349 -4.903 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.217 -11.663 -7.676 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.296 -10.140 -4.981 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.433 -12.599 -9.080 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.490 -11.059 -6.393 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.922 -12.296 -8.445 1.00 0.29 H new ATOM 395 N ILE A 354 -5.486 -9.925 -3.750 1.00 0.11 N ATOM 396 CA ILE A 354 -6.385 -9.106 -2.970 1.00 0.11 C ATOM 397 C ILE A 354 -7.813 -9.249 -3.501 1.00 0.12 C ATOM 398 O ILE A 354 -8.027 -9.350 -4.712 1.00 0.16 O ATOM 399 CB ILE A 354 -5.942 -7.634 -3.018 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.710 -6.824 -1.989 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.129 -7.051 -4.417 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.140 -5.452 -1.777 1.00 0.12 C ATOM 0 H ILE A 354 -5.841 -10.154 -4.679 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.359 -9.441 -1.933 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.880 -7.586 -2.778 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.749 -6.735 -2.307 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.712 -7.361 -1.040 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.808 -6.009 -4.423 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.532 -7.619 -5.131 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.181 -7.108 -4.697 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.733 -4.923 -1.031 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.110 -5.536 -1.430 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.163 -4.899 -2.716 1.00 0.12 H new ATOM 414 N ARG A 355 -8.786 -9.288 -2.608 1.00 0.12 N ATOM 415 CA ARG A 355 -10.172 -9.407 -3.023 1.00 0.14 C ATOM 416 C ARG A 355 -11.117 -8.823 -1.986 1.00 0.14 C ATOM 417 O ARG A 355 -10.797 -8.754 -0.796 1.00 0.15 O ATOM 418 CB ARG A 355 -10.509 -10.868 -3.323 1.00 0.18 C ATOM 419 CG ARG A 355 -10.157 -11.839 -2.210 1.00 0.24 C ATOM 420 CD ARG A 355 -10.184 -13.270 -2.726 1.00 0.40 C ATOM 421 NE ARG A 355 -9.583 -14.220 -1.797 1.00 0.90 N ATOM 422 CZ ARG A 355 -9.184 -15.441 -2.153 1.00 1.53 C ATOM 423 NH1 ARG A 355 -9.370 -15.869 -3.398 1.00 1.59 N ATOM 424 NH2 ARG A 355 -8.606 -16.239 -1.267 1.00 2.39 N ATOM 0 H ARG A 355 -8.644 -9.239 -1.599 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.305 -8.828 -3.937 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.576 -10.946 -3.531 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.985 -11.169 -4.230 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.168 -11.607 -1.815 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.863 -11.729 -1.386 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.216 -13.562 -2.919 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.656 -13.317 -3.678 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.462 -13.936 -0.825 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -9.819 -15.262 -4.084 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -9.063 -16.804 -3.667 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.465 -15.920 -0.309 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -8.302 -17.173 -1.543 1.00 2.39 H new ATOM 438 N TRP A 356 -12.268 -8.372 -2.462 1.00 0.15 N ATOM 439 CA TRP A 356 -13.287 -7.781 -1.608 1.00 0.16 C ATOM 440 C TRP A 356 -13.905 -8.811 -0.672 1.00 0.18 C ATOM 441 O TRP A 356 -14.184 -9.943 -1.067 1.00 0.25 O ATOM 442 CB TRP A 356 -14.394 -7.159 -2.457 1.00 0.18 C ATOM 443 CG TRP A 356 -14.046 -5.816 -3.016 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.872 -5.486 -4.328 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.837 -4.615 -2.270 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.582 -4.146 -4.437 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.555 -3.595 -3.187 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.864 -4.305 -0.915 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.307 -2.290 -2.787 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.613 -3.010 -0.520 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.340 -2.014 -1.454 1.00 0.20 C ATOM 0 H TRP A 356 -12.522 -8.405 -3.449 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.798 -7.014 -1.008 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.630 -7.834 -3.280 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.295 -7.067 -1.851 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.950 -6.174 -5.157 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.414 -3.645 -5.309 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.079 -5.069 -0.183 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.094 -1.517 -3.510 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.628 -2.763 0.531 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.151 -1.006 -1.116 1.00 0.20 H new ATOM 462 N GLU A 357 -14.113 -8.397 0.566 1.00 0.18 N ATOM 463 CA GLU A 357 -14.833 -9.191 1.545 1.00 0.22 C ATOM 464 C GLU A 357 -16.237 -8.634 1.696 1.00 0.22 C ATOM 465 O GLU A 357 -17.230 -9.359 1.659 1.00 0.31 O ATOM 466 CB GLU A 357 -14.111 -9.134 2.878 1.00 0.25 C ATOM 467 CG GLU A 357 -12.784 -9.855 2.872 1.00 0.52 C ATOM 468 CD GLU A 357 -12.942 -11.355 2.802 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.490 -11.937 3.762 1.00 0.73 O ATOM 470 OE2 GLU A 357 -12.518 -11.958 1.800 1.00 0.79 O ATOM 0 H GLU A 357 -13.786 -7.498 0.921 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.884 -10.228 1.214 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.948 -8.091 3.151 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.749 -9.569 3.647 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.193 -9.515 2.022 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.228 -9.593 3.772 1.00 0.52 H new ATOM 477 N ASP A 358 -16.288 -7.323 1.855 1.00 0.19 N ATOM 478 CA ASP A 358 -17.533 -6.581 1.938 1.00 0.22 C ATOM 479 C ASP A 358 -17.389 -5.312 1.122 1.00 0.20 C ATOM 480 O ASP A 358 -17.085 -4.259 1.674 1.00 0.22 O ATOM 481 CB ASP A 358 -17.865 -6.205 3.388 1.00 0.28 C ATOM 482 CG ASP A 358 -18.200 -7.393 4.260 1.00 1.02 C ATOM 483 OD1 ASP A 358 -17.280 -7.970 4.869 1.00 1.30 O ATOM 484 OD2 ASP A 358 -19.394 -7.740 4.362 1.00 2.07 O ATOM 0 H ASP A 358 -15.456 -6.737 1.931 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.339 -7.207 1.555 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.016 -5.675 3.821 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.708 -5.513 3.391 1.00 0.28 H new ATOM 489 N LYS A 359 -17.585 -5.413 -0.188 1.00 0.23 N ATOM 490 CA LYS A 359 -17.342 -4.284 -1.085 1.00 0.26 C ATOM 491 C LYS A 359 -18.164 -3.057 -0.696 1.00 0.28 C ATOM 492 O LYS A 359 -17.676 -1.931 -0.769 1.00 0.33 O ATOM 493 CB LYS A 359 -17.618 -4.665 -2.539 1.00 0.35 C ATOM 494 CG LYS A 359 -17.314 -3.541 -3.517 1.00 0.41 C ATOM 495 CD LYS A 359 -17.113 -4.061 -4.928 1.00 0.60 C ATOM 496 CE LYS A 359 -16.796 -2.927 -5.891 1.00 0.96 C ATOM 497 NZ LYS A 359 -16.542 -3.414 -7.273 1.00 1.65 N ATOM 0 H LYS A 359 -17.910 -6.261 -0.653 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.288 -4.024 -0.986 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.019 -5.538 -2.800 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.664 -4.954 -2.641 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.132 -2.820 -3.508 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.418 -3.010 -3.194 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.301 -4.788 -4.938 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.012 -4.582 -5.258 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -17.627 -2.221 -5.904 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -15.922 -2.383 -5.533 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -16.331 -2.606 -7.892 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -15.733 -4.067 -7.268 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.385 -3.910 -7.627 1.00 1.65 H new ATOM 511 N GLU A 360 -19.400 -3.278 -0.266 1.00 0.32 N ATOM 512 CA GLU A 360 -20.263 -2.183 0.148 1.00 0.36 C ATOM 513 C GLU A 360 -19.729 -1.535 1.424 1.00 0.34 C ATOM 514 O GLU A 360 -19.669 -0.311 1.539 1.00 0.42 O ATOM 515 CB GLU A 360 -21.691 -2.682 0.369 1.00 0.45 C ATOM 516 CG GLU A 360 -22.658 -1.584 0.771 1.00 0.94 C ATOM 517 CD GLU A 360 -24.026 -2.111 1.138 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.183 -2.646 2.257 1.00 1.40 O ATOM 519 OE2 GLU A 360 -24.950 -1.989 0.310 1.00 1.33 O ATOM 0 H GLU A 360 -19.825 -4.203 -0.196 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.273 -1.436 -0.645 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.049 -3.154 -0.546 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.684 -3.450 1.142 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.246 -1.036 1.618 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.756 -0.874 -0.050 1.00 0.94 H new ATOM 526 N SER A 361 -19.322 -2.373 2.371 1.00 0.28 N ATOM 527 CA SER A 361 -18.767 -1.909 3.634 1.00 0.27 C ATOM 528 C SER A 361 -17.345 -1.386 3.455 1.00 0.23 C ATOM 529 O SER A 361 -16.801 -0.734 4.347 1.00 0.25 O ATOM 530 CB SER A 361 -18.795 -3.045 4.653 1.00 0.29 C ATOM 531 OG SER A 361 -20.123 -3.314 5.075 1.00 1.10 O ATOM 0 H SER A 361 -19.368 -3.388 2.284 1.00 0.28 H new ATOM 0 HA SER A 361 -19.378 -1.083 3.998 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.360 -3.943 4.215 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.182 -2.781 5.515 1.00 0.29 H new ATOM 0 HG SER A 361 -20.117 -4.046 5.726 1.00 1.10 H new ATOM 537 N LYS A 362 -16.771 -1.663 2.281 1.00 0.20 N ATOM 538 CA LYS A 362 -15.402 -1.276 1.941 1.00 0.19 C ATOM 539 C LYS A 362 -14.388 -2.146 2.683 1.00 0.15 C ATOM 540 O LYS A 362 -13.240 -1.753 2.880 1.00 0.16 O ATOM 541 CB LYS A 362 -15.160 0.206 2.242 1.00 0.24 C ATOM 542 CG LYS A 362 -16.157 1.137 1.571 1.00 0.33 C ATOM 543 CD LYS A 362 -15.962 1.174 0.069 1.00 0.46 C ATOM 544 CE LYS A 362 -17.035 2.004 -0.613 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.192 3.344 0.016 1.00 1.83 N ATOM 0 H LYS A 362 -17.249 -2.167 1.534 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.268 -1.433 0.871 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.201 0.360 3.320 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.153 0.473 1.920 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.171 0.810 1.799 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.047 2.142 1.978 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -14.980 1.588 -0.161 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -15.981 0.158 -0.326 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -16.783 2.126 -1.666 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -17.985 1.471 -0.572 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -17.779 3.947 -0.594 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -17.650 3.240 0.944 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -16.257 3.782 0.139 1.00 1.83 H new ATOM 559 N ILE A 363 -14.815 -3.341 3.071 1.00 0.14 N ATOM 560 CA ILE A 363 -13.938 -4.292 3.745 1.00 0.13 C ATOM 561 C ILE A 363 -13.252 -5.153 2.689 1.00 0.11 C ATOM 562 O ILE A 363 -13.919 -5.834 1.904 1.00 0.14 O ATOM 563 CB ILE A 363 -14.707 -5.213 4.742 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.156 -4.482 6.019 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.837 -6.393 5.146 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.744 -3.118 5.813 1.00 0.19 C ATOM 0 H ILE A 363 -15.768 -3.676 2.930 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.211 -3.725 4.326 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.600 -5.548 4.214 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.892 -5.102 6.531 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.298 -4.391 6.685 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.385 -7.028 5.842 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.572 -6.970 4.260 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.929 -6.028 5.626 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.026 -2.694 6.777 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.007 -2.473 5.334 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.627 -3.194 5.178 1.00 0.19 H new ATOM 578 N PHE A 364 -11.932 -5.121 2.657 1.00 0.09 N ATOM 579 CA PHE A 364 -11.190 -5.813 1.618 1.00 0.08 C ATOM 580 C PHE A 364 -10.050 -6.626 2.228 1.00 0.08 C ATOM 581 O PHE A 364 -9.436 -6.208 3.210 1.00 0.09 O ATOM 582 CB PHE A 364 -10.657 -4.807 0.591 1.00 0.09 C ATOM 583 CG PHE A 364 -9.455 -4.023 1.045 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.582 -2.979 1.946 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.199 -4.332 0.559 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.470 -2.258 2.351 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.087 -3.617 0.957 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.219 -2.581 1.851 1.00 0.10 C ATOM 0 H PHE A 364 -11.353 -4.626 3.335 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.861 -6.503 1.106 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.401 -5.343 -0.323 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.455 -4.109 0.338 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.556 -2.724 2.336 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.085 -5.145 -0.143 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.578 -1.446 3.055 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.113 -3.872 0.566 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.350 -2.021 2.163 1.00 0.10 H new ATOM 598 N ARG A 365 -9.778 -7.791 1.653 1.00 0.08 N ATOM 599 CA ARG A 365 -8.760 -8.684 2.190 1.00 0.09 C ATOM 600 C ARG A 365 -7.542 -8.718 1.299 1.00 0.09 C ATOM 601 O ARG A 365 -7.644 -8.978 0.099 1.00 0.10 O ATOM 602 CB ARG A 365 -9.303 -10.107 2.337 1.00 0.13 C ATOM 603 CG ARG A 365 -8.254 -11.136 2.753 1.00 0.20 C ATOM 604 CD ARG A 365 -8.803 -12.563 2.732 1.00 0.26 C ATOM 605 NE ARG A 365 -10.042 -12.691 3.508 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.596 -13.851 3.886 1.00 0.73 C ATOM 607 NH1 ARG A 365 -10.033 -15.002 3.569 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.738 -13.854 4.559 1.00 1.14 N ATOM 0 H ARG A 365 -10.247 -8.139 0.817 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.480 -8.298 3.170 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -10.105 -10.104 3.075 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.743 -10.416 1.389 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.396 -11.069 2.084 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.895 -10.901 3.755 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.989 -12.864 1.701 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -8.053 -13.245 3.133 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.518 -11.831 3.781 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -9.167 -15.015 3.031 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -10.464 -15.879 3.862 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -12.196 -12.972 4.790 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -12.158 -14.738 4.846 1.00 1.14 H new ATOM 622 N ILE A 366 -6.391 -8.462 1.888 1.00 0.09 N ATOM 623 CA ILE A 366 -5.146 -8.680 1.193 1.00 0.09 C ATOM 624 C ILE A 366 -4.779 -10.143 1.314 1.00 0.09 C ATOM 625 O ILE A 366 -4.452 -10.646 2.392 1.00 0.12 O ATOM 626 CB ILE A 366 -4.020 -7.767 1.704 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.340 -6.320 1.304 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.678 -8.222 1.146 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.274 -5.311 1.666 1.00 0.12 C ATOM 0 H ILE A 366 -6.295 -8.106 2.839 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.278 -8.420 0.143 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.952 -7.824 2.790 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.504 -6.284 0.227 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.276 -6.025 1.779 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.889 -7.567 1.516 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.479 -9.245 1.465 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.704 -8.180 0.057 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.589 -4.318 1.344 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.124 -5.312 2.746 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.340 -5.574 1.169 1.00 0.12 H new ATOM 641 N VAL A 367 -4.880 -10.814 0.192 1.00 0.10 N ATOM 642 CA VAL A 367 -4.779 -12.255 0.125 1.00 0.12 C ATOM 643 C VAL A 367 -3.320 -12.685 0.087 1.00 0.13 C ATOM 644 O VAL A 367 -2.885 -13.542 0.858 1.00 0.19 O ATOM 645 CB VAL A 367 -5.507 -12.758 -1.131 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.431 -14.259 -1.252 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.948 -12.302 -1.138 1.00 0.20 C ATOM 0 H VAL A 367 -5.037 -10.370 -0.713 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.242 -12.686 1.013 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.001 -12.326 -1.995 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.957 -14.579 -2.152 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.387 -14.567 -1.313 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.894 -14.718 -0.379 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.442 -12.671 -2.037 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.458 -12.693 -0.258 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -6.985 -11.213 -1.125 1.00 0.20 H new ATOM 657 N ASP A 368 -2.574 -12.065 -0.808 1.00 0.12 N ATOM 658 CA ASP A 368 -1.146 -12.312 -0.935 1.00 0.13 C ATOM 659 C ASP A 368 -0.394 -11.006 -0.773 1.00 0.12 C ATOM 660 O ASP A 368 -0.095 -10.318 -1.747 1.00 0.12 O ATOM 661 CB ASP A 368 -0.824 -12.942 -2.290 1.00 0.18 C ATOM 662 CG ASP A 368 0.572 -13.521 -2.355 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.537 -12.729 -2.439 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.721 -14.758 -2.308 1.00 0.52 O ATOM 0 H ASP A 368 -2.938 -11.377 -1.467 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.837 -13.009 -0.156 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.548 -13.729 -2.500 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.936 -12.189 -3.070 1.00 0.18 H new ATOM 669 N PRO A 369 -0.116 -10.641 0.478 1.00 0.11 N ATOM 670 CA PRO A 369 0.486 -9.364 0.832 1.00 0.11 C ATOM 671 C PRO A 369 1.822 -9.094 0.151 1.00 0.12 C ATOM 672 O PRO A 369 2.062 -7.987 -0.330 1.00 0.14 O ATOM 673 CB PRO A 369 0.655 -9.465 2.348 1.00 0.13 C ATOM 674 CG PRO A 369 -0.380 -10.427 2.753 1.00 0.13 C ATOM 675 CD PRO A 369 -0.408 -11.438 1.670 1.00 0.13 C ATOM 0 HA PRO A 369 -0.137 -8.532 0.505 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.652 -9.813 2.617 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.514 -8.498 2.832 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.140 -10.884 3.713 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.349 -9.941 2.864 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.335 -12.220 1.827 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.378 -11.930 1.600 1.00 0.13 H new ATOM 683 N ASN A 370 2.686 -10.100 0.114 1.00 0.15 N ATOM 684 CA ASN A 370 4.002 -9.940 -0.498 1.00 0.18 C ATOM 685 C ASN A 370 3.842 -9.588 -1.974 1.00 0.16 C ATOM 686 O ASN A 370 4.484 -8.665 -2.481 1.00 0.17 O ATOM 687 CB ASN A 370 4.831 -11.221 -0.353 1.00 0.25 C ATOM 688 CG ASN A 370 6.330 -10.959 -0.390 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.795 -9.976 -0.966 1.00 1.13 O ATOM 690 ND2 ASN A 370 7.098 -11.843 0.228 1.00 0.99 N ATOM 0 H ASN A 370 2.504 -11.028 0.496 1.00 0.15 H new ATOM 0 HA ASN A 370 4.527 -9.134 0.014 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.575 -11.710 0.587 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.567 -11.912 -1.154 1.00 0.25 H new ATOM 0 HD21 ASN A 370 8.111 -11.721 0.237 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.677 -12.646 0.695 1.00 0.99 H new ATOM 697 N GLY A 371 2.953 -10.309 -2.649 1.00 0.16 N ATOM 698 CA GLY A 371 2.688 -10.043 -4.048 1.00 0.17 C ATOM 699 C GLY A 371 1.962 -8.729 -4.249 1.00 0.14 C ATOM 700 O GLY A 371 2.196 -8.030 -5.232 1.00 0.16 O ATOM 0 H GLY A 371 2.411 -11.075 -2.249 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.629 -10.025 -4.598 1.00 0.17 H new ATOM 0 HA3 GLY A 371 2.091 -10.854 -4.464 1.00 0.17 H new ATOM 704 N LEU A 372 1.080 -8.398 -3.311 1.00 0.13 N ATOM 705 CA LEU A 372 0.354 -7.132 -3.329 1.00 0.12 C ATOM 706 C LEU A 372 1.348 -5.971 -3.318 1.00 0.12 C ATOM 707 O LEU A 372 1.224 -5.015 -4.085 1.00 0.12 O ATOM 708 CB LEU A 372 -0.581 -7.062 -2.109 1.00 0.12 C ATOM 709 CG LEU A 372 -1.875 -6.259 -2.281 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.600 -4.779 -2.500 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.686 -6.822 -3.434 1.00 0.14 C ATOM 0 H LEU A 372 0.849 -8.998 -2.519 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.248 -7.063 -4.235 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.847 -8.080 -1.825 1.00 0.12 H new ATOM 0 HB3 LEU A 372 -0.023 -6.634 -1.276 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.448 -6.350 -1.358 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.544 -4.247 -2.617 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -1.062 -4.378 -1.641 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.997 -4.650 -3.399 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.604 -6.245 -3.549 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.102 -6.762 -4.353 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.935 -7.863 -3.229 1.00 0.14 H new ATOM 723 N ALA A 373 2.346 -6.083 -2.451 1.00 0.13 N ATOM 724 CA ALA A 373 3.421 -5.104 -2.369 1.00 0.16 C ATOM 725 C ALA A 373 4.200 -5.041 -3.678 1.00 0.18 C ATOM 726 O ALA A 373 4.594 -3.966 -4.123 1.00 0.22 O ATOM 727 CB ALA A 373 4.346 -5.463 -1.230 1.00 0.18 C ATOM 0 H ALA A 373 2.433 -6.852 -1.787 1.00 0.13 H new ATOM 0 HA ALA A 373 2.985 -4.122 -2.187 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.150 -4.730 -1.169 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.787 -5.466 -0.294 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.769 -6.452 -1.403 1.00 0.18 H new ATOM 733 N ARG A 374 4.422 -6.201 -4.289 1.00 0.19 N ATOM 734 CA ARG A 374 5.113 -6.269 -5.573 1.00 0.24 C ATOM 735 C ARG A 374 4.286 -5.612 -6.674 1.00 0.19 C ATOM 736 O ARG A 374 4.833 -4.951 -7.558 1.00 0.21 O ATOM 737 CB ARG A 374 5.443 -7.710 -5.944 1.00 0.33 C ATOM 738 CG ARG A 374 6.786 -8.162 -5.407 1.00 0.67 C ATOM 739 CD ARG A 374 6.667 -9.451 -4.625 1.00 0.92 C ATOM 740 NE ARG A 374 7.937 -9.822 -4.003 1.00 1.47 N ATOM 741 CZ ARG A 374 8.320 -11.076 -3.764 1.00 1.99 C ATOM 742 NH1 ARG A 374 7.530 -12.095 -4.088 1.00 2.45 N ATOM 743 NH2 ARG A 374 9.498 -11.311 -3.195 1.00 2.67 N ATOM 0 H ARG A 374 4.134 -7.106 -3.916 1.00 0.19 H new ATOM 0 HA ARG A 374 6.049 -5.720 -5.473 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.663 -8.367 -5.559 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.438 -7.811 -7.029 1.00 0.33 H new ATOM 0 HG2 ARG A 374 7.482 -8.301 -6.235 1.00 0.67 H new ATOM 0 HG3 ARG A 374 7.203 -7.385 -4.767 1.00 0.67 H new ATOM 0 HD2 ARG A 374 5.903 -9.341 -3.856 1.00 0.92 H new ATOM 0 HD3 ARG A 374 6.339 -10.251 -5.289 1.00 0.92 H new ATOM 0 HE ARG A 374 8.572 -9.071 -3.734 1.00 1.47 H new ATOM 0 HH11 ARG A 374 6.624 -11.920 -4.523 1.00 2.45 H new ATOM 0 HH12 ARG A 374 7.830 -13.052 -3.902 1.00 2.45 H new ATOM 0 HH21 ARG A 374 10.107 -10.533 -2.942 1.00 2.67 H new ATOM 0 HH22 ARG A 374 9.793 -12.270 -3.011 1.00 2.67 H new ATOM 757 N LEU A 375 2.971 -5.800 -6.610 1.00 0.17 N ATOM 758 CA LEU A 375 2.053 -5.136 -7.526 1.00 0.18 C ATOM 759 C LEU A 375 2.171 -3.628 -7.365 1.00 0.19 C ATOM 760 O LEU A 375 2.362 -2.899 -8.338 1.00 0.22 O ATOM 761 CB LEU A 375 0.607 -5.572 -7.262 1.00 0.18 C ATOM 762 CG LEU A 375 0.303 -7.045 -7.537 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.135 -7.369 -7.170 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.552 -7.376 -8.996 1.00 0.26 C ATOM 0 H LEU A 375 2.517 -6.410 -5.930 1.00 0.17 H new ATOM 0 HA LEU A 375 2.318 -5.418 -8.545 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.366 -5.357 -6.221 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.056 -4.962 -7.875 1.00 0.18 H new ATOM 0 HG LEU A 375 0.968 -7.651 -6.921 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.334 -8.421 -7.372 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.295 -7.167 -6.111 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.810 -6.752 -7.763 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.330 -8.428 -9.173 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.091 -6.759 -9.624 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.596 -7.179 -9.241 1.00 0.26 H new ATOM 776 N TRP A 376 2.074 -3.168 -6.124 1.00 0.18 N ATOM 777 CA TRP A 376 2.217 -1.754 -5.818 1.00 0.20 C ATOM 778 C TRP A 376 3.597 -1.263 -6.248 1.00 0.25 C ATOM 779 O TRP A 376 3.757 -0.126 -6.687 1.00 0.30 O ATOM 780 CB TRP A 376 1.992 -1.510 -4.324 1.00 0.20 C ATOM 781 CG TRP A 376 2.102 -0.070 -3.929 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.267 0.945 -4.296 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.097 0.512 -3.080 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.696 2.129 -3.740 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.817 1.887 -2.991 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.204 0.004 -2.396 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.599 2.758 -2.235 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.978 0.868 -1.648 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.675 2.232 -1.576 1.00 0.35 C ATOM 0 H TRP A 376 1.896 -3.758 -5.311 1.00 0.18 H new ATOM 0 HA TRP A 376 1.464 -1.192 -6.371 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.004 -1.879 -4.049 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.719 -2.091 -3.756 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.399 0.836 -4.929 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.251 3.038 -3.865 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.450 -1.046 -2.451 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.364 3.810 -2.172 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.832 0.485 -1.109 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.304 2.883 -0.987 1.00 0.35 H new ATOM 800 N GLY A 377 4.589 -2.137 -6.130 1.00 0.27 N ATOM 801 CA GLY A 377 5.917 -1.832 -6.616 1.00 0.33 C ATOM 802 C GLY A 377 5.934 -1.599 -8.114 1.00 0.38 C ATOM 803 O GLY A 377 6.543 -0.647 -8.591 1.00 0.41 O ATOM 0 H GLY A 377 4.494 -3.058 -5.703 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.295 -0.945 -6.107 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.591 -2.652 -6.369 1.00 0.33 H new ATOM 807 N ASN A 378 5.245 -2.466 -8.849 1.00 0.41 N ATOM 808 CA ASN A 378 5.119 -2.341 -10.303 1.00 0.50 C ATOM 809 C ASN A 378 4.587 -0.957 -10.678 1.00 0.51 C ATOM 810 O ASN A 378 4.998 -0.357 -11.675 1.00 0.62 O ATOM 811 CB ASN A 378 4.182 -3.437 -10.828 1.00 0.54 C ATOM 812 CG ASN A 378 3.878 -3.331 -12.312 1.00 0.72 C ATOM 813 OD1 ASN A 378 4.702 -2.879 -13.108 1.00 0.89 O ATOM 814 ND2 ASN A 378 2.679 -3.753 -12.696 1.00 1.06 N ATOM 0 H ASN A 378 4.759 -3.273 -8.459 1.00 0.41 H new ATOM 0 HA ASN A 378 6.102 -2.460 -10.760 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.630 -4.410 -10.628 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.245 -3.397 -10.272 1.00 0.54 H new ATOM 0 HD21 ASN A 378 2.414 -3.709 -13.680 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.023 -4.121 -12.007 1.00 1.06 H new ATOM 821 N HIS A 379 3.683 -0.454 -9.852 1.00 0.44 N ATOM 822 CA HIS A 379 3.086 0.858 -10.056 1.00 0.49 C ATOM 823 C HIS A 379 4.027 1.979 -9.590 1.00 0.53 C ATOM 824 O HIS A 379 4.176 2.996 -10.267 1.00 0.67 O ATOM 825 CB HIS A 379 1.751 0.911 -9.301 1.00 0.51 C ATOM 826 CG HIS A 379 1.011 2.209 -9.409 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.189 2.482 -10.474 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.969 3.250 -8.542 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.334 3.671 -10.232 1.00 0.84 C ATOM 830 NE2 HIS A 379 0.110 4.175 -9.071 1.00 0.89 N ATOM 0 H HIS A 379 3.343 -0.942 -9.023 1.00 0.44 H new ATOM 0 HA HIS A 379 2.912 1.014 -11.121 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.109 0.113 -9.673 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.939 0.704 -8.247 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.510 3.334 -7.611 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -1.031 4.174 -10.886 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.144 5.074 -8.661 1.00 0.89 H new ATOM 838 N LYS A 380 4.681 1.776 -8.450 1.00 0.47 N ATOM 839 CA LYS A 380 5.469 2.832 -7.811 1.00 0.55 C ATOM 840 C LYS A 380 6.975 2.687 -8.044 1.00 0.56 C ATOM 841 O LYS A 380 7.773 3.137 -7.222 1.00 0.70 O ATOM 842 CB LYS A 380 5.180 2.877 -6.312 1.00 0.62 C ATOM 843 CG LYS A 380 3.748 3.262 -5.983 1.00 0.79 C ATOM 844 CD LYS A 380 3.397 4.651 -6.494 1.00 0.75 C ATOM 845 CE LYS A 380 4.235 5.730 -5.827 1.00 0.84 C ATOM 846 NZ LYS A 380 3.750 7.093 -6.163 1.00 1.36 N ATOM 0 H LYS A 380 4.682 0.889 -7.947 1.00 0.47 H new ATOM 0 HA LYS A 380 5.164 3.768 -8.279 1.00 0.55 H new ATOM 0 HB2 LYS A 380 5.394 1.900 -5.879 1.00 0.62 H new ATOM 0 HB3 LYS A 380 5.857 3.589 -5.841 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.067 2.532 -6.421 1.00 0.79 H new ATOM 0 HG3 LYS A 380 3.602 3.226 -4.903 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.548 4.690 -7.573 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.340 4.848 -6.313 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.211 5.592 -4.746 1.00 0.84 H new ATOM 0 HE3 LYS A 380 5.274 5.627 -6.139 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 4.552 7.682 -6.467 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 3.053 7.034 -6.932 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 3.306 7.520 -5.325 1.00 1.36 H new ATOM 860 N ASN A 381 7.352 2.043 -9.144 1.00 0.52 N ATOM 861 CA ASN A 381 8.756 1.947 -9.559 1.00 0.60 C ATOM 862 C ASN A 381 9.589 1.154 -8.558 1.00 0.59 C ATOM 863 O ASN A 381 10.766 1.449 -8.340 1.00 0.76 O ATOM 864 CB ASN A 381 9.370 3.333 -9.721 1.00 0.76 C ATOM 865 CG ASN A 381 8.578 4.259 -10.615 1.00 1.50 C ATOM 866 OD1 ASN A 381 7.902 3.826 -11.549 1.00 2.30 O ATOM 867 ND2 ASN A 381 8.661 5.545 -10.331 1.00 2.17 N ATOM 0 H ASN A 381 6.700 1.574 -9.773 1.00 0.52 H new ATOM 0 HA ASN A 381 8.765 1.425 -10.516 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.469 3.792 -8.737 1.00 0.76 H new ATOM 0 HB3 ASN A 381 10.376 3.228 -10.126 1.00 0.76 H new ATOM 0 HD21 ASN A 381 8.153 6.226 -10.895 1.00 2.17 H new ATOM 0 HD22 ASN A 381 9.234 5.858 -9.547 1.00 2.17 H new ATOM 874 N ARG A 382 8.984 0.155 -7.940 1.00 0.49 N ATOM 875 CA ARG A 382 9.681 -0.644 -6.944 1.00 0.55 C ATOM 876 C ARG A 382 9.824 -2.089 -7.397 1.00 0.67 C ATOM 877 O ARG A 382 8.939 -2.653 -8.042 1.00 0.79 O ATOM 878 CB ARG A 382 8.970 -0.565 -5.596 1.00 0.51 C ATOM 879 CG ARG A 382 8.901 0.843 -5.061 1.00 0.70 C ATOM 880 CD ARG A 382 10.268 1.507 -5.068 1.00 1.09 C ATOM 881 NE ARG A 382 11.067 1.161 -3.892 1.00 1.88 N ATOM 882 CZ ARG A 382 12.303 1.619 -3.676 1.00 2.39 C ATOM 883 NH1 ARG A 382 12.900 2.381 -4.583 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.944 1.309 -2.555 1.00 3.26 N ATOM 0 H ARG A 382 8.017 -0.122 -8.108 1.00 0.49 H new ATOM 0 HA ARG A 382 10.684 -0.233 -6.827 1.00 0.55 H new ATOM 0 HB2 ARG A 382 7.960 -0.961 -5.698 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.490 -1.198 -4.877 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.207 1.429 -5.664 1.00 0.70 H new ATOM 0 HG3 ARG A 382 8.507 0.829 -4.045 1.00 0.70 H new ATOM 0 HD2 ARG A 382 10.807 1.212 -5.968 1.00 1.09 H new ATOM 0 HD3 ARG A 382 10.142 2.589 -5.112 1.00 1.09 H new ATOM 0 HE ARG A 382 10.657 0.535 -3.199 1.00 1.88 H new ATOM 0 HH11 ARG A 382 12.415 2.619 -5.448 1.00 2.40 H new ATOM 0 HH12 ARG A 382 13.844 2.729 -4.415 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.493 0.719 -1.856 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.888 1.660 -2.393 1.00 3.26 H new ATOM 943 N THR A 386 7.996 -5.927 -0.698 1.00 0.33 N ATOM 944 CA THR A 386 7.404 -6.914 0.179 1.00 0.28 C ATOM 945 C THR A 386 6.412 -6.193 1.082 1.00 0.21 C ATOM 946 O THR A 386 6.543 -4.985 1.247 1.00 0.24 O ATOM 947 CB THR A 386 8.521 -7.615 0.983 1.00 0.33 C ATOM 948 OG1 THR A 386 9.027 -8.725 0.236 1.00 0.54 O ATOM 949 CG2 THR A 386 8.063 -8.070 2.351 1.00 0.26 C ATOM 0 HA THR A 386 6.875 -7.686 -0.379 1.00 0.28 H new ATOM 0 HB THR A 386 9.312 -6.882 1.146 1.00 0.33 H new ATOM 0 HG1 THR A 386 8.290 -9.164 -0.238 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.890 -8.555 2.869 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.729 -7.208 2.928 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.239 -8.775 2.243 1.00 0.26 H new ATOM 957 N TYR A 387 5.405 -6.876 1.625 1.00 0.19 N ATOM 958 CA TYR A 387 4.347 -6.170 2.340 1.00 0.17 C ATOM 959 C TYR A 387 4.918 -5.317 3.464 1.00 0.16 C ATOM 960 O TYR A 387 4.516 -4.171 3.632 1.00 0.18 O ATOM 961 CB TYR A 387 3.297 -7.110 2.899 1.00 0.19 C ATOM 962 CG TYR A 387 2.076 -6.352 3.348 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.065 -5.682 4.561 1.00 0.21 C ATOM 964 CD2 TYR A 387 0.947 -6.281 2.549 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.966 -4.966 4.967 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.159 -5.570 2.952 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.142 -4.912 4.162 1.00 0.26 C ATOM 968 OH TYR A 387 -1.242 -4.204 4.577 1.00 0.30 O ATOM 0 H TYR A 387 5.301 -7.890 1.585 1.00 0.19 H new ATOM 0 HA TYR A 387 3.863 -5.525 1.607 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.017 -7.840 2.140 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.713 -7.667 3.739 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.936 -5.724 5.198 1.00 0.21 H new ATOM 0 HD2 TYR A 387 0.935 -6.791 1.597 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.975 -4.449 5.915 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -1.036 -5.528 2.323 1.00 0.25 H new ATOM 0 HH TYR A 387 -2.025 -4.793 4.588 1.00 0.30 H new ATOM 978 N GLU A 388 5.856 -5.868 4.224 1.00 0.20 N ATOM 979 CA GLU A 388 6.530 -5.120 5.279 1.00 0.26 C ATOM 980 C GLU A 388 7.105 -3.813 4.732 1.00 0.25 C ATOM 981 O GLU A 388 7.143 -2.796 5.421 1.00 0.31 O ATOM 982 CB GLU A 388 7.639 -5.970 5.892 1.00 0.38 C ATOM 983 CG GLU A 388 7.145 -7.060 6.837 1.00 1.00 C ATOM 984 CD GLU A 388 6.018 -7.897 6.263 1.00 1.78 C ATOM 985 OE1 GLU A 388 6.236 -8.566 5.232 1.00 2.37 O ATOM 986 OE2 GLU A 388 4.909 -7.886 6.841 1.00 2.34 O ATOM 0 H GLU A 388 6.169 -6.834 4.129 1.00 0.20 H new ATOM 0 HA GLU A 388 5.801 -4.875 6.052 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.211 -6.434 5.089 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.323 -5.317 6.435 1.00 0.38 H new ATOM 0 HG2 GLU A 388 7.979 -7.714 7.091 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.807 -6.599 7.765 1.00 1.00 H new ATOM 993 N LYS A 389 7.518 -3.854 3.474 1.00 0.24 N ATOM 994 CA LYS A 389 8.073 -2.695 2.797 1.00 0.28 C ATOM 995 C LYS A 389 6.950 -1.773 2.290 1.00 0.26 C ATOM 996 O LYS A 389 7.091 -0.552 2.289 1.00 0.32 O ATOM 997 CB LYS A 389 8.981 -3.163 1.647 1.00 0.34 C ATOM 998 CG LYS A 389 10.042 -4.158 2.098 1.00 0.46 C ATOM 999 CD LYS A 389 10.829 -4.703 0.918 1.00 0.52 C ATOM 1000 CE LYS A 389 11.833 -5.768 1.338 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.874 -5.235 2.258 1.00 1.62 N ATOM 0 H LYS A 389 7.477 -4.693 2.895 1.00 0.24 H new ATOM 0 HA LYS A 389 8.673 -2.116 3.500 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.368 -3.620 0.870 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.469 -2.297 1.200 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.722 -3.674 2.799 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.567 -4.981 2.632 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.139 -5.125 0.187 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.355 -3.885 0.425 1.00 0.52 H new ATOM 0 HE2 LYS A 389 11.306 -6.588 1.826 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.313 -6.181 0.451 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.581 -5.974 2.448 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 13.339 -4.416 1.818 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.430 -4.942 3.152 1.00 1.62 H new ATOM 1015 N MET A 390 5.828 -2.372 1.880 1.00 0.19 N ATOM 1016 CA MET A 390 4.664 -1.617 1.395 1.00 0.20 C ATOM 1017 C MET A 390 3.910 -0.969 2.558 1.00 0.20 C ATOM 1018 O MET A 390 3.325 0.108 2.416 1.00 0.22 O ATOM 1019 CB MET A 390 3.715 -2.541 0.616 1.00 0.18 C ATOM 1020 CG MET A 390 2.319 -2.665 1.220 1.00 0.23 C ATOM 1021 SD MET A 390 1.233 -3.726 0.253 1.00 0.68 S ATOM 1022 CE MET A 390 1.006 -2.721 -1.210 1.00 1.18 C ATOM 0 H MET A 390 5.699 -3.384 1.874 1.00 0.19 H new ATOM 0 HA MET A 390 5.026 -0.831 0.732 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.624 -2.171 -0.405 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.161 -3.534 0.557 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.400 -3.061 2.232 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.873 -1.673 1.301 1.00 0.23 H new ATOM 0 HE1 MET A 390 0.969 -3.363 -2.090 1.00 1.18 H new ATOM 0 HE2 MET A 390 0.073 -2.164 -1.127 1.00 1.18 H new ATOM 0 HE3 MET A 390 1.838 -2.023 -1.305 1.00 1.18 H new ATOM 1032 N SER A 391 3.936 -1.641 3.707 1.00 0.20 N ATOM 1033 CA SER A 391 3.171 -1.234 4.878 1.00 0.21 C ATOM 1034 C SER A 391 3.582 0.144 5.362 1.00 0.18 C ATOM 1035 O SER A 391 2.852 0.786 6.103 1.00 0.18 O ATOM 1036 CB SER A 391 3.338 -2.239 6.014 1.00 0.26 C ATOM 1037 OG SER A 391 4.663 -2.232 6.523 1.00 0.64 O ATOM 0 H SER A 391 4.491 -2.485 3.850 1.00 0.20 H new ATOM 0 HA SER A 391 2.124 -1.200 4.578 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.638 -2.004 6.816 1.00 0.26 H new ATOM 0 HB3 SER A 391 3.089 -3.238 5.657 1.00 0.26 H new ATOM 0 HG SER A 391 5.298 -2.339 5.784 1.00 0.64 H new ATOM 1043 N ARG A 392 4.768 0.570 4.973 1.00 0.19 N ATOM 1044 CA ARG A 392 5.274 1.880 5.363 1.00 0.20 C ATOM 1045 C ARG A 392 4.357 2.980 4.823 1.00 0.19 C ATOM 1046 O ARG A 392 4.147 4.002 5.478 1.00 0.23 O ATOM 1047 CB ARG A 392 6.700 2.082 4.854 1.00 0.24 C ATOM 1048 CG ARG A 392 7.700 1.058 5.359 1.00 0.52 C ATOM 1049 CD ARG A 392 7.994 1.228 6.834 1.00 0.67 C ATOM 1050 NE ARG A 392 8.593 2.527 7.147 1.00 1.31 N ATOM 1051 CZ ARG A 392 9.609 2.686 7.998 1.00 1.66 C ATOM 1052 NH1 ARG A 392 10.165 1.625 8.571 1.00 1.88 N ATOM 1053 NH2 ARG A 392 10.075 3.897 8.265 1.00 2.48 N ATOM 0 H ARG A 392 5.403 0.030 4.386 1.00 0.19 H new ATOM 0 HA ARG A 392 5.289 1.935 6.452 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.690 2.055 3.764 1.00 0.24 H new ATOM 0 HB3 ARG A 392 7.039 3.076 5.145 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.313 0.055 5.180 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.627 1.147 4.792 1.00 0.52 H new ATOM 0 HD2 ARG A 392 7.069 1.114 7.400 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.667 0.435 7.159 1.00 0.67 H new ATOM 0 HE ARG A 392 8.213 3.356 6.690 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.816 0.690 8.361 1.00 1.88 H new ATOM 0 HH12 ARG A 392 10.941 1.745 9.221 1.00 1.88 H new ATOM 0 HH21 ARG A 392 9.657 4.714 7.819 1.00 2.48 H new ATOM 0 HH22 ARG A 392 10.852 4.013 8.916 1.00 2.48 H new ATOM 1067 N ALA A 393 3.804 2.758 3.630 1.00 0.16 N ATOM 1068 CA ALA A 393 2.834 3.685 3.052 1.00 0.16 C ATOM 1069 C ALA A 393 1.487 3.548 3.764 1.00 0.16 C ATOM 1070 O ALA A 393 0.875 4.538 4.161 1.00 0.19 O ATOM 1071 CB ALA A 393 2.680 3.440 1.554 1.00 0.19 C ATOM 0 H ALA A 393 4.011 1.947 3.048 1.00 0.16 H new ATOM 0 HA ALA A 393 3.199 4.703 3.191 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.953 4.141 1.144 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.641 3.584 1.061 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.335 2.420 1.386 1.00 0.19 H new ATOM 1077 N LEU A 394 1.047 2.301 3.935 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.200 1.990 4.636 1.00 0.18 C ATOM 1079 C LEU A 394 -0.179 2.489 6.077 1.00 0.18 C ATOM 1080 O LEU A 394 -1.222 2.784 6.658 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.457 0.480 4.605 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.841 -0.063 3.230 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.662 -1.565 3.176 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.282 0.305 2.904 1.00 0.24 C ATOM 0 H LEU A 394 1.544 1.479 3.592 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.009 2.507 4.119 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.439 -0.037 4.950 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.253 0.244 5.311 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.183 0.388 2.488 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -0.941 -1.929 2.187 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.381 -1.815 3.373 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.296 -2.034 3.928 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.544 -0.087 1.922 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -2.946 -0.123 3.655 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.389 1.390 2.902 1.00 0.24 H new ATOM 1096 N ARG A 395 1.017 2.561 6.644 1.00 0.20 N ATOM 1097 CA ARG A 395 1.220 3.011 8.013 1.00 0.26 C ATOM 1098 C ARG A 395 0.607 4.393 8.226 1.00 0.21 C ATOM 1099 O ARG A 395 0.082 4.690 9.299 1.00 0.22 O ATOM 1100 CB ARG A 395 2.720 3.035 8.318 1.00 0.36 C ATOM 1101 CG ARG A 395 3.060 2.806 9.772 1.00 0.94 C ATOM 1102 CD ARG A 395 2.707 1.389 10.174 1.00 0.94 C ATOM 1103 NE ARG A 395 3.487 0.384 9.440 1.00 1.59 N ATOM 1104 CZ ARG A 395 4.113 -0.646 10.019 1.00 1.91 C ATOM 1105 NH1 ARG A 395 4.195 -0.722 11.342 1.00 1.87 N ATOM 1106 NH2 ARG A 395 4.690 -1.584 9.275 1.00 2.78 N ATOM 0 H ARG A 395 1.880 2.307 6.163 1.00 0.20 H new ATOM 0 HA ARG A 395 0.724 2.319 8.694 1.00 0.26 H new ATOM 0 HB2 ARG A 395 3.214 2.272 7.716 1.00 0.36 H new ATOM 0 HB3 ARG A 395 3.127 3.998 8.009 1.00 0.36 H new ATOM 0 HG2 ARG A 395 4.122 2.985 9.937 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.517 3.515 10.396 1.00 0.94 H new ATOM 0 HD2 ARG A 395 2.877 1.265 11.244 1.00 0.94 H new ATOM 0 HD3 ARG A 395 1.645 1.219 9.998 1.00 0.94 H new ATOM 0 HE ARG A 395 3.555 0.477 8.427 1.00 1.59 H new ATOM 0 HH11 ARG A 395 3.779 0.007 11.921 1.00 1.87 H new ATOM 0 HH12 ARG A 395 4.674 -1.510 11.779 1.00 1.87 H new ATOM 0 HH21 ARG A 395 4.657 -1.520 8.258 1.00 2.78 H new ATOM 0 HH22 ARG A 395 5.166 -2.368 9.721 1.00 2.78 H new ATOM 1120 N HIS A 396 0.664 5.228 7.191 1.00 0.20 N ATOM 1121 CA HIS A 396 0.043 6.541 7.240 1.00 0.19 C ATOM 1122 C HIS A 396 -1.466 6.419 7.155 1.00 0.16 C ATOM 1123 O HIS A 396 -2.189 7.100 7.873 1.00 0.22 O ATOM 1124 CB HIS A 396 0.574 7.435 6.119 1.00 0.24 C ATOM 1125 CG HIS A 396 1.972 7.912 6.366 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.221 9.059 7.083 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.148 7.352 6.002 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.536 9.167 7.142 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.141 8.156 6.503 1.00 1.17 N ATOM 0 H HIS A 396 1.134 5.015 6.311 1.00 0.20 H new ATOM 0 HA HIS A 396 0.299 7.004 8.193 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.544 6.886 5.178 1.00 0.24 H new ATOM 0 HB3 HIS A 396 -0.084 8.297 6.006 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.533 9.695 7.486 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.280 6.447 5.428 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.058 9.969 7.642 1.00 1.63 H new ATOM 1137 N TYR A 397 -1.933 5.507 6.313 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.361 5.363 6.042 1.00 0.15 C ATOM 1139 C TYR A 397 -4.118 4.994 7.311 1.00 0.18 C ATOM 1140 O TYR A 397 -5.285 5.354 7.474 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.615 4.302 4.965 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.051 4.644 3.599 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.043 5.588 3.443 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.531 4.014 2.464 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.536 5.894 2.204 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.030 4.312 1.220 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.030 5.256 1.092 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.536 5.569 -0.151 1.00 0.35 O ATOM 0 H TYR A 397 -1.342 4.851 5.802 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.723 6.324 5.678 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.184 3.357 5.296 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.690 4.147 4.872 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.650 6.091 4.314 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.313 3.275 2.558 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.754 6.632 2.104 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.417 3.810 0.345 1.00 0.32 H new ATOM 0 HH TYR A 397 -2.244 5.979 -0.690 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.440 4.276 8.201 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.009 3.913 9.493 1.00 0.29 C ATOM 1160 C TYR A 398 -4.268 5.152 10.340 1.00 0.31 C ATOM 1161 O TYR A 398 -5.210 5.193 11.126 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.083 2.943 10.232 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.086 1.562 9.629 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.272 0.860 9.511 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.920 0.968 9.164 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -4.307 -0.393 8.948 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.943 -0.291 8.593 1.00 0.49 C ATOM 1168 CZ TYR A 398 -3.142 -0.969 8.488 1.00 0.50 C ATOM 1169 OH TYR A 398 -3.179 -2.223 7.917 1.00 0.60 O ATOM 0 H TYR A 398 -2.491 3.933 8.049 1.00 0.24 H new ATOM 0 HA TYR A 398 -4.963 3.417 9.317 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.067 3.338 10.221 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.389 2.880 11.276 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.189 1.306 9.868 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.982 1.497 9.250 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -5.244 -0.925 8.866 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -1.030 -0.741 8.232 1.00 0.49 H new ATOM 0 HH TYR A 398 -2.275 -2.485 7.644 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.437 6.169 10.159 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.558 7.399 10.928 1.00 0.32 C ATOM 1181 C LYS A 399 -4.502 8.364 10.234 1.00 0.29 C ATOM 1182 O LYS A 399 -5.215 9.137 10.874 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.192 8.043 11.096 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.124 7.038 11.484 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.593 6.164 12.629 1.00 0.68 C ATOM 1186 CE LYS A 399 -0.609 5.052 12.918 1.00 1.31 C ATOM 1187 NZ LYS A 399 -1.034 4.222 14.076 1.00 1.98 N ATOM 0 H LYS A 399 -2.671 6.166 9.485 1.00 0.28 H new ATOM 0 HA LYS A 399 -3.963 7.158 11.911 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -1.906 8.532 10.164 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.251 8.820 11.858 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -0.876 6.415 10.624 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.213 7.563 11.772 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -1.727 6.774 13.522 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -2.566 5.736 12.387 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -0.507 4.419 12.036 1.00 1.31 H new ATOM 0 HE3 LYS A 399 0.373 5.480 13.119 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -0.333 3.472 14.241 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -1.107 4.820 14.924 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -1.960 3.793 13.874 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.506 8.295 8.911 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.381 9.119 8.093 1.00 0.23 C ATOM 1203 C LEU A 400 -6.786 8.564 8.112 1.00 0.22 C ATOM 1204 O LEU A 400 -7.684 9.092 7.458 1.00 0.26 O ATOM 1205 CB LEU A 400 -4.892 9.123 6.658 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.410 9.371 6.489 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -2.918 8.691 5.238 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.138 10.848 6.416 1.00 0.36 C ATOM 0 H LEU A 400 -3.905 7.668 8.376 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.375 10.131 8.497 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.139 8.164 6.203 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.438 9.888 6.106 1.00 0.22 H new ATOM 0 HG LEU A 400 -2.881 8.960 7.349 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -1.850 8.873 5.121 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.097 7.618 5.312 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.450 9.089 4.374 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.068 11.015 6.294 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -3.671 11.275 5.566 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -3.478 11.326 7.335 1.00 0.36 H new ATOM 1220 N ASN A 401 -6.939 7.465 8.857 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.190 6.720 8.965 1.00 0.24 C ATOM 1222 C ASN A 401 -8.795 6.485 7.586 1.00 0.19 C ATOM 1223 O ASN A 401 -9.991 6.654 7.358 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.177 7.370 9.961 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.299 8.879 9.846 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.171 9.394 9.151 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.417 9.601 10.531 1.00 1.24 N ATOM 0 H ASN A 401 -6.182 7.064 9.410 1.00 0.22 H new ATOM 0 HA ASN A 401 -7.965 5.740 9.387 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.163 6.928 9.814 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -8.864 7.121 10.975 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.450 10.620 10.490 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -7.707 9.136 11.097 1.00 1.24 H new ATOM 1234 N ILE A 402 -7.913 6.118 6.661 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.293 5.690 5.327 1.00 0.13 C ATOM 1236 C ILE A 402 -8.525 4.192 5.328 1.00 0.13 C ATOM 1237 O ILE A 402 -9.464 3.688 4.717 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.176 6.028 4.317 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.016 7.543 4.213 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.451 5.411 2.947 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.793 7.963 3.439 1.00 0.14 C ATOM 0 H ILE A 402 -6.906 6.111 6.822 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.206 6.210 5.036 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.243 5.597 4.680 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.901 7.963 3.735 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -6.965 7.965 5.217 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.643 5.670 2.262 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.512 4.327 3.042 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.394 5.795 2.558 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.741 9.051 3.404 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.901 7.572 3.928 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.852 7.570 2.424 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.662 3.498 6.046 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.685 2.053 6.107 1.00 0.14 C ATOM 1255 C ILE A 403 -7.458 1.596 7.539 1.00 0.17 C ATOM 1256 O ILE A 403 -6.611 2.143 8.239 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.594 1.448 5.191 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.918 1.729 3.722 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.442 -0.047 5.431 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.816 1.324 2.767 1.00 0.20 C ATOM 0 H ILE A 403 -6.923 3.925 6.605 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.660 1.709 5.762 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.644 1.923 5.436 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.832 1.200 3.453 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.119 2.793 3.601 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.669 -0.444 4.774 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.161 -0.222 6.469 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.388 -0.547 5.222 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.118 1.554 1.745 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.905 1.872 3.009 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.630 0.254 2.859 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.236 0.622 7.974 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.041 0.021 9.282 1.00 0.18 C ATOM 1274 C ARG A 404 -8.113 -1.488 9.145 1.00 0.20 C ATOM 1275 O ARG A 404 -8.573 -1.990 8.123 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.106 0.505 10.271 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.461 -0.143 10.078 1.00 0.45 C ATOM 1278 CD ARG A 404 -10.954 -0.734 11.383 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.153 -1.547 11.206 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.174 -1.571 12.057 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.194 -0.758 13.106 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.181 -2.411 11.851 1.00 2.08 N ATOM 0 H ARG A 404 -9.011 0.229 7.440 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.065 0.316 9.666 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.761 0.308 11.286 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.214 1.585 10.174 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.175 0.595 9.713 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.393 -0.924 9.320 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.166 -1.345 11.823 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.164 0.071 12.087 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.211 -2.135 10.375 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.423 -0.109 13.263 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -13.981 -0.782 13.755 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.169 -3.034 11.043 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -14.967 -2.434 12.501 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.658 -2.205 10.156 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.746 -3.660 10.153 1.00 0.26 C ATOM 1298 C LYS A 405 -9.052 -4.124 10.784 1.00 0.27 C ATOM 1299 O LYS A 405 -9.374 -3.735 11.910 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.574 -4.287 10.912 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.264 -4.306 10.144 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.210 -5.108 10.890 1.00 0.69 C ATOM 1303 CE LYS A 405 -3.006 -5.417 10.014 1.00 1.31 C ATOM 1304 NZ LYS A 405 -2.280 -4.189 9.594 1.00 1.73 N ATOM 0 H LYS A 405 -7.224 -1.808 10.989 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.710 -3.984 9.113 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.427 -3.740 11.843 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -6.838 -5.310 11.181 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.423 -4.738 9.156 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.911 -3.286 9.993 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.886 -4.552 11.769 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.648 -6.040 11.246 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -2.324 -6.071 10.557 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -3.334 -5.962 9.129 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -1.459 -4.453 9.013 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -2.916 -3.582 9.038 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -1.957 -3.672 10.436 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.802 -4.939 10.050 1.00 0.26 N ATOM 1319 CA GLU A 406 -11.000 -5.557 10.568 1.00 0.27 C ATOM 1320 C GLU A 406 -10.696 -6.446 11.762 1.00 0.29 C ATOM 1321 O GLU A 406 -9.704 -7.177 11.778 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.680 -6.357 9.487 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.543 -5.499 8.593 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.092 -4.263 9.281 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.156 -4.358 9.926 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.479 -3.186 9.172 1.00 0.81 O ATOM 0 H GLU A 406 -9.591 -5.184 9.083 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.667 -4.763 10.903 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.926 -6.862 8.883 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.294 -7.133 9.944 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.959 -5.192 7.725 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.375 -6.098 8.222 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.570 -6.396 12.766 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.389 -7.116 14.023 1.00 0.38 C ATOM 1335 C PRO A 407 -11.433 -8.633 13.855 1.00 0.41 C ATOM 1336 O PRO A 407 -12.467 -9.201 13.495 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.573 -6.628 14.866 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.602 -6.250 13.868 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.829 -5.630 12.750 1.00 0.45 C ATOM 0 HA PRO A 407 -10.413 -6.924 14.468 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.935 -7.410 15.534 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.294 -5.779 15.490 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -14.163 -7.120 13.528 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.324 -5.549 14.288 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.349 -5.724 11.797 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -12.658 -4.566 12.916 1.00 0.45 H new ATOM 1347 N GLY A 408 -10.296 -9.278 14.090 1.00 0.51 N ATOM 1348 CA GLY A 408 -10.258 -10.728 14.137 1.00 0.60 C ATOM 1349 C GLY A 408 -9.650 -11.378 12.909 1.00 0.56 C ATOM 1350 O GLY A 408 -9.493 -12.602 12.870 1.00 0.66 O ATOM 0 H GLY A 408 -9.398 -8.822 14.249 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -9.691 -11.036 15.015 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -11.274 -11.102 14.266 1.00 0.60 H new ATOM 1354 N GLN A 409 -9.294 -10.594 11.902 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.769 -11.174 10.674 1.00 0.52 C ATOM 1356 C GLN A 409 -7.381 -10.637 10.346 1.00 0.48 C ATOM 1357 O GLN A 409 -7.005 -9.562 10.807 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.727 -10.939 9.511 1.00 0.67 C ATOM 1359 CG GLN A 409 -11.098 -11.553 9.735 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.932 -11.608 8.475 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -11.867 -12.576 7.716 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.731 -10.580 8.252 1.00 1.10 N ATOM 0 H GLN A 409 -9.357 -9.576 11.908 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.676 -12.248 10.834 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.838 -9.867 9.350 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.294 -11.355 8.601 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.978 -12.562 10.130 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.630 -10.976 10.491 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.753 -9.799 8.908 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.326 -10.567 7.424 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.629 -11.394 9.548 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.218 -11.085 9.283 1.00 0.41 C ATOM 1373 C ARG A 410 -5.020 -9.749 8.556 1.00 0.34 C ATOM 1374 O ARG A 410 -4.790 -8.714 9.183 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.495 -12.230 8.526 1.00 0.45 C ATOM 1376 CG ARG A 410 -5.349 -13.134 7.620 1.00 0.57 C ATOM 1377 CD ARG A 410 -5.791 -12.455 6.325 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.260 -13.420 5.325 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.482 -13.958 4.378 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -4.232 -13.543 4.209 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.963 -14.909 3.591 1.00 2.29 N ATOM 0 H ARG A 410 -6.971 -12.228 9.071 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.758 -10.988 10.266 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -3.711 -11.785 7.914 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.003 -12.863 9.264 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -4.780 -14.031 7.375 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.232 -13.457 8.171 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -6.588 -11.744 6.543 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -4.959 -11.884 5.914 1.00 0.62 H new ATOM 0 HE ARG A 410 -7.241 -13.699 5.353 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -3.854 -12.806 4.805 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -3.649 -13.961 3.484 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -6.924 -15.230 3.707 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -5.372 -15.321 2.869 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.098 -9.782 7.239 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.901 -8.603 6.416 1.00 0.15 C ATOM 1397 C LEU A 411 -6.234 -8.107 5.902 1.00 0.11 C ATOM 1398 O LEU A 411 -6.336 -7.566 4.800 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.949 -8.892 5.257 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.491 -9.085 5.662 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -2.037 -10.515 5.413 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.620 -8.106 4.903 1.00 0.16 C ATOM 0 H LEU A 411 -5.300 -10.629 6.708 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.446 -7.825 7.030 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.290 -9.789 4.740 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -4.008 -8.071 4.543 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.397 -8.893 6.731 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.994 -10.623 5.711 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.654 -11.199 5.996 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.138 -10.749 4.353 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.579 -8.245 5.193 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.725 -8.280 3.832 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.929 -7.087 5.137 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.264 -8.355 6.687 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.581 -7.848 6.382 1.00 0.10 C ATOM 1416 C LEU A 412 -8.684 -6.410 6.818 1.00 0.09 C ATOM 1417 O LEU A 412 -8.510 -6.091 7.990 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.650 -8.676 7.068 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.842 -9.031 6.195 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.102 -7.942 5.189 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.586 -10.345 5.504 1.00 0.15 C ATOM 0 H LEU A 412 -7.210 -8.907 7.543 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.738 -7.913 5.305 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.197 -9.598 7.432 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.007 -8.130 7.941 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.729 -9.127 6.822 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.959 -8.213 4.572 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.311 -7.008 5.710 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.225 -7.815 4.555 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.441 -10.599 4.878 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.694 -10.262 4.883 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.438 -11.126 6.250 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.961 -5.551 5.868 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.939 -4.124 6.114 1.00 0.10 C ATOM 1435 C PHE A 413 -10.259 -3.489 5.727 1.00 0.09 C ATOM 1436 O PHE A 413 -11.155 -4.147 5.197 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.817 -3.440 5.327 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.444 -4.025 5.512 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.115 -4.758 6.639 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.483 -3.838 4.540 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.852 -5.293 6.791 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.221 -4.369 4.686 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.903 -5.097 5.813 1.00 0.14 C ATOM 0 H PHE A 413 -9.206 -5.813 4.913 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.764 -3.988 7.181 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.068 -3.475 4.267 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.786 -2.389 5.613 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.856 -4.913 7.409 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.723 -3.269 3.654 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.609 -5.864 7.675 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.479 -4.215 3.917 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.913 -5.512 5.928 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.354 -2.200 5.984 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.534 -1.428 5.655 1.00 0.10 C ATOM 1455 C ARG A 414 -11.139 -0.087 5.059 1.00 0.09 C ATOM 1456 O ARG A 414 -10.413 0.683 5.692 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.368 -1.195 6.914 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.597 -0.336 6.698 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.368 -0.151 7.993 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.792 -1.428 8.566 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.057 -1.734 8.864 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.019 -0.829 8.723 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.351 -2.943 9.324 1.00 2.09 N ATOM 0 H ARG A 414 -9.613 -1.658 6.428 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.121 -1.984 4.924 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.679 -2.160 7.313 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.739 -0.725 7.670 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.300 0.637 6.305 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.241 -0.799 5.950 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.745 0.380 8.713 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.243 0.472 7.808 1.00 0.35 H new ATOM 0 HE ARG A 414 -14.075 -2.130 8.750 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.793 0.107 8.385 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.983 -1.070 8.953 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.612 -3.635 9.449 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.316 -3.181 9.553 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.596 0.180 3.844 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.462 1.508 3.267 1.00 0.11 C ATOM 1479 C PHE A 415 -12.482 2.427 3.920 1.00 0.12 C ATOM 1480 O PHE A 415 -13.615 2.547 3.457 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.678 1.492 1.747 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.448 1.176 0.941 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.454 2.127 0.788 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.291 -0.056 0.320 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.327 1.861 0.035 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.161 -0.329 -0.435 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.180 0.633 -0.576 1.00 0.21 C ATOM 0 H PHE A 415 -12.060 -0.501 3.243 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.449 1.866 3.450 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.449 0.759 1.511 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.059 2.465 1.437 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.561 3.090 1.264 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.057 -0.809 0.426 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.561 2.614 -0.075 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -9.048 -1.291 -0.912 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.299 0.424 -1.164 1.00 0.21 H new ATOM 1497 N MET A 416 -12.075 3.067 5.004 1.00 0.14 N ATOM 1498 CA MET A 416 -12.952 3.969 5.733 1.00 0.17 C ATOM 1499 C MET A 416 -13.373 5.111 4.824 1.00 0.20 C ATOM 1500 O MET A 416 -14.478 5.643 4.936 1.00 0.29 O ATOM 1501 CB MET A 416 -12.251 4.499 6.984 1.00 0.23 C ATOM 1502 CG MET A 416 -11.845 3.401 7.957 1.00 0.30 C ATOM 1503 SD MET A 416 -10.973 4.026 9.407 1.00 1.30 S ATOM 1504 CE MET A 416 -12.227 5.085 10.129 1.00 1.23 C ATOM 0 H MET A 416 -11.139 2.978 5.400 1.00 0.14 H new ATOM 0 HA MET A 416 -13.842 3.427 6.052 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.364 5.057 6.686 1.00 0.23 H new ATOM 0 HB3 MET A 416 -12.912 5.200 7.493 1.00 0.23 H new ATOM 0 HG2 MET A 416 -12.736 2.863 8.280 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.209 2.683 7.440 1.00 0.30 H new ATOM 0 HE1 MET A 416 -11.967 5.303 11.165 1.00 1.23 H new ATOM 0 HE2 MET A 416 -12.285 6.017 9.566 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.193 4.580 10.096 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.478 5.471 3.920 1.00 0.18 N ATOM 1515 CA LYS A 417 -12.790 6.393 2.854 1.00 0.21 C ATOM 1516 C LYS A 417 -12.023 6.019 1.600 1.00 0.22 C ATOM 1517 O LYS A 417 -10.921 5.473 1.661 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.491 7.832 3.253 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.089 8.053 3.776 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.816 9.533 3.984 1.00 0.20 C ATOM 1521 CE LYS A 417 -9.705 9.773 4.989 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.131 9.430 6.372 1.00 0.61 N ATOM 0 H LYS A 417 -11.517 5.130 3.909 1.00 0.18 H new ATOM 0 HA LYS A 417 -13.859 6.324 2.652 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.650 8.477 2.389 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.204 8.141 4.017 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -10.959 7.519 4.717 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.365 7.641 3.073 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.547 9.989 3.031 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.727 10.024 4.327 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -8.834 9.176 4.718 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.400 10.819 4.951 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.364 9.655 7.037 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -10.978 9.980 6.621 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.350 8.415 6.426 1.00 0.61 H new ATOM 1536 N THR A 418 -12.632 6.318 0.477 1.00 0.24 N ATOM 1537 CA THR A 418 -12.117 5.943 -0.829 1.00 0.26 C ATOM 1538 C THR A 418 -11.447 7.136 -1.511 1.00 0.23 C ATOM 1539 O THR A 418 -11.496 8.243 -0.982 1.00 0.21 O ATOM 1540 CB THR A 418 -13.263 5.408 -1.709 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.362 6.331 -1.706 1.00 0.37 O ATOM 1542 CG2 THR A 418 -13.729 4.048 -1.219 1.00 0.40 C ATOM 0 H THR A 418 -13.510 6.835 0.439 1.00 0.24 H new ATOM 0 HA THR A 418 -11.370 5.161 -0.695 1.00 0.26 H new ATOM 0 HB THR A 418 -12.889 5.300 -2.727 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.823 6.288 -0.842 1.00 0.37 H new ATOM 0 HG21 THR A 418 -14.538 3.690 -1.855 1.00 0.40 H new ATOM 0 HG22 THR A 418 -12.898 3.343 -1.257 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.085 4.134 -0.192 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.808 6.921 -2.687 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.154 7.981 -3.467 1.00 0.24 C ATOM 1552 C PRO A 419 -10.928 9.290 -3.465 1.00 0.28 C ATOM 1553 O PRO A 419 -10.390 10.341 -3.119 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.154 7.398 -4.874 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.019 5.930 -4.678 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.657 5.610 -3.349 1.00 0.28 C ATOM 0 HA PRO A 419 -9.173 8.231 -3.064 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.075 7.643 -5.404 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.330 7.795 -5.467 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.510 5.385 -5.484 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -8.970 5.633 -4.685 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.621 5.118 -3.480 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.033 4.938 -2.761 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.197 9.200 -3.835 1.00 0.34 N ATOM 1565 CA ASP A 420 -13.068 10.373 -3.938 1.00 0.43 C ATOM 1566 C ASP A 420 -13.150 11.121 -2.610 1.00 0.40 C ATOM 1567 O ASP A 420 -13.120 12.351 -2.574 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.469 9.949 -4.387 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.451 11.105 -4.430 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -15.237 12.044 -5.225 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -16.457 11.065 -3.689 1.00 0.85 O ATOM 0 H ASP A 420 -12.655 8.320 -4.072 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.639 11.047 -4.680 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.406 9.495 -5.376 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.846 9.184 -3.709 1.00 0.55 H new ATOM 1576 N GLU A 421 -13.232 10.369 -1.523 1.00 0.35 N ATOM 1577 CA GLU A 421 -13.342 10.945 -0.193 1.00 0.35 C ATOM 1578 C GLU A 421 -12.002 11.516 0.284 1.00 0.32 C ATOM 1579 O GLU A 421 -11.961 12.545 0.957 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.843 9.885 0.783 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.248 9.409 0.467 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.617 8.133 1.198 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.199 7.043 0.753 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.330 8.215 2.221 1.00 0.51 O ATOM 0 H GLU A 421 -13.224 9.349 -1.538 1.00 0.35 H new ATOM 0 HA GLU A 421 -14.055 11.769 -0.234 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.164 9.033 0.766 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.821 10.290 1.795 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.959 10.192 0.731 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.338 9.246 -0.607 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.910 10.845 -0.073 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.577 11.249 0.377 1.00 0.24 C ATOM 1593 C ILE A 422 -9.077 12.473 -0.390 1.00 0.29 C ATOM 1594 O ILE A 422 -8.407 13.333 0.178 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.551 10.105 0.219 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.096 8.814 0.832 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.225 10.483 0.880 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.281 7.589 0.489 1.00 0.18 C ATOM 0 H ILE A 422 -10.920 10.019 -0.672 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.670 11.499 1.434 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.377 9.942 -0.844 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.132 8.924 1.916 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.121 8.665 0.492 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.513 9.667 0.760 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.828 11.383 0.410 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.388 10.669 1.942 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.727 6.712 0.958 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.265 7.454 -0.592 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.262 7.716 0.854 1.00 0.18 H new ATOM 1610 N MET A 423 -9.408 12.550 -1.678 1.00 0.36 N ATOM 1611 CA MET A 423 -8.980 13.669 -2.518 1.00 0.46 C ATOM 1612 C MET A 423 -9.527 14.992 -1.999 1.00 0.55 C ATOM 1613 O MET A 423 -8.963 16.057 -2.259 1.00 0.71 O ATOM 1614 CB MET A 423 -9.424 13.459 -3.966 1.00 0.56 C ATOM 1615 CG MET A 423 -8.707 12.314 -4.660 1.00 0.59 C ATOM 1616 SD MET A 423 -9.091 12.206 -6.421 1.00 0.83 S ATOM 1617 CE MET A 423 -10.858 11.919 -6.371 1.00 1.83 C ATOM 0 H MET A 423 -9.971 11.851 -2.163 1.00 0.36 H new ATOM 0 HA MET A 423 -7.891 13.707 -2.481 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.497 13.270 -3.985 1.00 0.56 H new ATOM 0 HB3 MET A 423 -9.253 14.378 -4.527 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.631 12.437 -4.535 1.00 0.59 H new ATOM 0 HG3 MET A 423 -8.979 11.376 -4.176 1.00 0.59 H new ATOM 0 HE1 MET A 423 -11.247 11.866 -7.388 1.00 1.83 H new ATOM 0 HE2 MET A 423 -11.060 10.980 -5.856 1.00 1.83 H new ATOM 0 HE3 MET A 423 -11.344 12.737 -5.839 1.00 1.83 H new ATOM 1627 N SER A 424 -10.628 14.914 -1.267 1.00 0.60 N ATOM 1628 CA SER A 424 -11.233 16.066 -0.659 1.00 0.72 C ATOM 1629 C SER A 424 -10.424 16.543 0.551 1.00 0.74 C ATOM 1630 O SER A 424 -10.718 17.590 1.127 1.00 0.94 O ATOM 1631 CB SER A 424 -12.643 15.685 -0.235 1.00 1.07 C ATOM 1632 OG SER A 424 -13.340 15.035 -1.291 1.00 1.70 O ATOM 0 H SER A 424 -11.121 14.040 -1.083 1.00 0.60 H new ATOM 0 HA SER A 424 -11.258 16.888 -1.375 1.00 0.72 H new ATOM 0 HB2 SER A 424 -12.599 15.028 0.634 1.00 1.07 H new ATOM 0 HB3 SER A 424 -13.188 16.579 0.068 1.00 1.07 H new ATOM 0 HG SER A 424 -13.081 14.090 -1.321 1.00 1.70 H new ATOM 1638 N GLY A 425 -9.402 15.781 0.930 1.00 0.81 N ATOM 1639 CA GLY A 425 -8.643 16.118 2.113 1.00 1.23 C ATOM 1640 C GLY A 425 -7.145 15.886 1.978 1.00 0.79 C ATOM 1641 O GLY A 425 -6.488 16.463 1.109 1.00 1.10 O ATOM 0 H GLY A 425 -9.090 14.942 0.440 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -8.817 17.166 2.357 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -9.017 15.530 2.951 1.00 1.23 H new ATOM 1645 N ARG A 426 -6.623 15.011 2.829 1.00 0.59 N ATOM 1646 CA ARG A 426 -5.214 14.887 3.078 1.00 0.47 C ATOM 1647 C ARG A 426 -4.497 13.919 2.103 1.00 0.40 C ATOM 1648 O ARG A 426 -3.846 12.957 2.516 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.101 14.423 4.526 1.00 0.94 C ATOM 1650 CG ARG A 426 -3.713 14.132 4.969 1.00 1.03 C ATOM 1651 CD ARG A 426 -2.853 15.381 5.064 1.00 1.41 C ATOM 1652 NE ARG A 426 -3.205 16.191 6.230 1.00 1.79 N ATOM 1653 CZ ARG A 426 -2.870 17.471 6.383 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -2.244 18.127 5.411 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -3.167 18.099 7.512 1.00 2.85 N ATOM 0 H ARG A 426 -7.190 14.359 3.371 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.712 15.840 2.912 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -5.524 15.190 5.175 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -5.707 13.526 4.656 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -3.742 13.641 5.942 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -3.253 13.431 4.272 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -1.802 15.096 5.122 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -2.973 15.975 4.158 1.00 1.41 H new ATOM 0 HE ARG A 426 -3.742 15.747 6.975 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -2.016 17.650 4.539 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -1.992 19.107 5.538 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -3.651 17.602 8.260 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -2.912 19.079 7.633 1.00 2.85 H new ATOM 1669 N THR A 427 -4.628 14.144 0.806 1.00 0.36 N ATOM 1670 CA THR A 427 -3.788 13.426 -0.151 1.00 0.33 C ATOM 1671 C THR A 427 -2.400 14.057 -0.220 1.00 0.37 C ATOM 1672 O THR A 427 -1.430 13.402 -0.593 1.00 0.38 O ATOM 1673 CB THR A 427 -4.398 13.386 -1.565 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.604 14.715 -2.061 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.711 12.626 -1.570 1.00 0.33 C ATOM 0 H THR A 427 -5.290 14.801 0.394 1.00 0.36 H new ATOM 0 HA THR A 427 -3.717 12.400 0.209 1.00 0.33 H new ATOM 0 HB THR A 427 -3.695 12.868 -2.217 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.960 14.901 -2.776 1.00 0.48 H new ATOM 0 HG21 THR A 427 -6.120 12.613 -2.580 1.00 0.33 H new ATOM 0 HG22 THR A 427 -5.541 11.603 -1.234 1.00 0.33 H new ATOM 0 HG23 THR A 427 -6.417 13.115 -0.899 1.00 0.33 H new ATOM 1683 N ASP A 428 -2.324 15.329 0.170 1.00 0.45 N ATOM 1684 CA ASP A 428 -1.104 16.132 0.051 1.00 0.54 C ATOM 1685 C ASP A 428 0.105 15.452 0.686 1.00 0.55 C ATOM 1686 O ASP A 428 1.172 15.358 0.073 1.00 0.59 O ATOM 1687 CB ASP A 428 -1.323 17.512 0.691 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.815 17.422 2.127 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -3.040 17.337 2.343 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.977 17.455 3.047 1.00 1.76 O ATOM 0 H ASP A 428 -3.109 15.835 0.579 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.892 16.243 -1.012 1.00 0.54 H new ATOM 0 HB2 ASP A 428 -0.388 18.072 0.666 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -2.046 18.072 0.098 1.00 0.67 H new ATOM 1695 N ARG A 429 -0.062 14.977 1.905 1.00 0.54 N ATOM 1696 CA ARG A 429 1.021 14.324 2.625 1.00 0.58 C ATOM 1697 C ARG A 429 1.352 12.985 1.986 1.00 0.45 C ATOM 1698 O ARG A 429 2.494 12.560 1.991 1.00 0.46 O ATOM 1699 CB ARG A 429 0.644 14.144 4.096 1.00 0.72 C ATOM 1700 CG ARG A 429 1.749 13.537 4.947 1.00 0.88 C ATOM 1701 CD ARG A 429 1.420 13.615 6.428 1.00 1.22 C ATOM 1702 NE ARG A 429 1.280 14.999 6.881 1.00 1.86 N ATOM 1703 CZ ARG A 429 1.048 15.351 8.144 1.00 2.48 C ATOM 1704 NH1 ARG A 429 0.985 14.430 9.100 1.00 2.68 N ATOM 1705 NH2 ARG A 429 0.907 16.634 8.446 1.00 3.43 N ATOM 0 H ARG A 429 -0.940 15.030 2.422 1.00 0.54 H new ATOM 0 HA ARG A 429 1.908 14.955 2.571 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.370 15.114 4.512 1.00 0.72 H new ATOM 0 HB3 ARG A 429 -0.240 13.509 4.159 1.00 0.72 H new ATOM 0 HG2 ARG A 429 1.899 12.496 4.661 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.686 14.059 4.754 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.495 13.073 6.624 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.205 13.123 7.001 1.00 1.22 H new ATOM 0 HE ARG A 429 1.365 15.741 6.186 1.00 1.86 H new ATOM 0 HH11 ARG A 429 1.115 13.445 8.869 1.00 2.68 H new ATOM 0 HH12 ARG A 429 0.807 14.708 10.065 1.00 2.68 H new ATOM 0 HH21 ARG A 429 0.976 17.341 7.714 1.00 3.43 H new ATOM 0 HH22 ARG A 429 0.729 16.914 9.410 1.00 3.43 H new ATOM 1719 N LEU A 430 0.350 12.353 1.398 1.00 0.38 N ATOM 1720 CA LEU A 430 0.498 11.038 0.800 1.00 0.32 C ATOM 1721 C LEU A 430 1.226 11.122 -0.530 1.00 0.30 C ATOM 1722 O LEU A 430 2.154 10.357 -0.796 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.879 10.429 0.613 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.660 10.247 1.903 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -3.053 9.718 1.609 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.903 9.307 2.823 1.00 0.61 C ATOM 0 H LEU A 430 -0.591 12.739 1.322 1.00 0.38 H new ATOM 0 HA LEU A 430 1.094 10.409 1.461 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.455 11.062 -0.061 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.772 9.460 0.126 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.769 11.211 2.400 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.600 9.593 2.544 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.583 10.424 0.970 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.977 8.756 1.102 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.462 9.176 3.749 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.779 8.341 2.334 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.077 9.729 3.048 1.00 0.61 H new ATOM 1738 N GLU A 431 0.797 12.069 -1.355 1.00 0.31 N ATOM 1739 CA GLU A 431 1.437 12.338 -2.637 1.00 0.35 C ATOM 1740 C GLU A 431 2.919 12.623 -2.431 1.00 0.39 C ATOM 1741 O GLU A 431 3.770 12.240 -3.235 1.00 0.44 O ATOM 1742 CB GLU A 431 0.769 13.540 -3.296 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.682 13.317 -3.676 1.00 0.50 C ATOM 1744 CD GLU A 431 -1.384 14.611 -4.045 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -0.701 15.578 -4.445 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -2.627 14.664 -3.939 1.00 2.30 O ATOM 0 H GLU A 431 -0.002 12.671 -1.155 1.00 0.31 H new ATOM 0 HA GLU A 431 1.331 11.464 -3.280 1.00 0.35 H new ATOM 0 HB2 GLU A 431 0.828 14.391 -2.617 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.330 13.807 -4.192 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.733 12.625 -4.517 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -1.205 12.846 -2.844 1.00 0.50 H new ATOM 1753 N HIS A 432 3.201 13.298 -1.333 1.00 0.39 N ATOM 1754 CA HIS A 432 4.553 13.665 -0.956 1.00 0.45 C ATOM 1755 C HIS A 432 5.274 12.496 -0.278 1.00 0.44 C ATOM 1756 O HIS A 432 6.485 12.327 -0.421 1.00 0.52 O ATOM 1757 CB HIS A 432 4.474 14.866 -0.022 1.00 0.50 C ATOM 1758 CG HIS A 432 5.793 15.480 0.332 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.386 16.470 -0.419 1.00 0.87 N ATOM 1760 CD2 HIS A 432 6.620 15.262 1.377 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.520 16.834 0.151 1.00 0.91 C ATOM 1762 NE2 HIS A 432 7.688 16.115 1.244 1.00 0.77 N ATOM 0 H HIS A 432 2.491 13.610 -0.671 1.00 0.39 H new ATOM 0 HA HIS A 432 5.127 13.920 -1.847 1.00 0.45 H new ATOM 0 HB2 HIS A 432 3.848 15.628 -0.487 1.00 0.50 H new ATOM 0 HB3 HIS A 432 3.974 14.560 0.897 1.00 0.50 H new ATOM 0 HD2 HIS A 432 6.469 14.547 2.172 1.00 0.70 H new ATOM 0 HE1 HIS A 432 8.196 17.592 -0.216 1.00 0.91 H new ATOM 0 HE2 HIS A 432 8.479 16.181 1.884 1.00 0.77 H new ATOM 1771 N LEU A 433 4.513 11.690 0.453 1.00 0.39 N ATOM 1772 CA LEU A 433 5.073 10.630 1.278 1.00 0.40 C ATOM 1773 C LEU A 433 5.561 9.458 0.451 1.00 0.36 C ATOM 1774 O LEU A 433 6.561 8.855 0.796 1.00 0.35 O ATOM 1775 CB LEU A 433 4.033 10.134 2.286 1.00 0.53 C ATOM 1776 CG LEU A 433 4.600 9.632 3.617 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.297 8.295 3.445 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.563 10.656 4.192 1.00 0.73 C ATOM 0 H LEU A 433 3.496 11.753 0.490 1.00 0.39 H new ATOM 0 HA LEU A 433 5.929 11.056 1.802 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.334 10.945 2.490 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.461 9.328 1.826 1.00 0.53 H new ATOM 0 HG LEU A 433 3.770 9.493 4.310 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.690 7.963 4.406 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.585 7.559 3.070 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.117 8.401 2.735 1.00 0.91 H new ATOM 0 HD21 LEU A 433 5.961 10.290 5.138 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.383 10.818 3.492 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.037 11.596 4.359 1.00 0.73 H new ATOM 1790 N GLU A 434 4.859 9.125 -0.620 1.00 0.40 N ATOM 1791 CA GLU A 434 5.194 7.925 -1.388 1.00 0.45 C ATOM 1792 C GLU A 434 6.647 7.892 -1.821 1.00 0.45 C ATOM 1793 O GLU A 434 7.255 6.836 -1.845 1.00 0.56 O ATOM 1794 CB GLU A 434 4.282 7.753 -2.583 1.00 0.66 C ATOM 1795 CG GLU A 434 2.873 7.383 -2.181 1.00 0.80 C ATOM 1796 CD GLU A 434 1.975 7.140 -3.369 1.00 1.20 C ATOM 1797 OE1 GLU A 434 2.027 7.934 -4.334 1.00 1.75 O ATOM 1798 OE2 GLU A 434 1.243 6.136 -3.355 1.00 1.47 O ATOM 0 H GLU A 434 4.065 9.656 -0.978 1.00 0.40 H new ATOM 0 HA GLU A 434 5.039 7.084 -0.712 1.00 0.45 H new ATOM 0 HB2 GLU A 434 4.262 8.679 -3.158 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.686 6.980 -3.237 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.900 6.487 -1.561 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.452 8.181 -1.570 1.00 0.80 H new ATOM 1805 N SER A 435 7.217 9.034 -2.138 1.00 0.46 N ATOM 1806 CA SER A 435 8.620 9.092 -2.443 1.00 0.53 C ATOM 1807 C SER A 435 9.456 8.862 -1.191 1.00 0.50 C ATOM 1808 O SER A 435 10.509 8.224 -1.225 1.00 0.58 O ATOM 1809 CB SER A 435 8.937 10.440 -3.018 1.00 0.62 C ATOM 1810 OG SER A 435 8.738 10.471 -4.420 1.00 1.01 O ATOM 0 H SER A 435 6.729 9.928 -2.190 1.00 0.46 H new ATOM 0 HA SER A 435 8.859 8.309 -3.163 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.309 11.195 -2.544 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.971 10.698 -2.791 1.00 0.62 H new ATOM 0 HG SER A 435 8.952 11.364 -4.761 1.00 1.01 H new ATOM 1816 N GLN A 436 8.954 9.377 -0.089 1.00 0.43 N ATOM 1817 CA GLN A 436 9.668 9.352 1.181 1.00 0.48 C ATOM 1818 C GLN A 436 9.641 7.972 1.822 1.00 0.45 C ATOM 1819 O GLN A 436 10.649 7.520 2.326 1.00 0.51 O ATOM 1820 CB GLN A 436 9.106 10.379 2.157 1.00 0.52 C ATOM 1821 CG GLN A 436 9.329 11.814 1.727 1.00 0.77 C ATOM 1822 CD GLN A 436 9.118 12.785 2.868 1.00 0.77 C ATOM 1823 OE1 GLN A 436 8.008 13.258 3.100 1.00 1.27 O ATOM 1824 NE2 GLN A 436 10.185 13.084 3.591 1.00 1.38 N ATOM 0 H GLN A 436 8.039 9.826 -0.043 1.00 0.43 H new ATOM 0 HA GLN A 436 10.704 9.607 0.957 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.036 10.207 2.276 1.00 0.52 H new ATOM 0 HB3 GLN A 436 9.564 10.227 3.134 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.342 11.924 1.340 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.648 12.059 0.912 1.00 0.77 H new ATOM 0 HE21 GLN A 436 11.088 12.668 3.363 1.00 1.38 H new ATOM 0 HE22 GLN A 436 10.104 13.730 4.376 1.00 1.38 H new ATOM 1833 N VAL A 437 8.490 7.306 1.806 1.00 0.38 N ATOM 1834 CA VAL A 437 8.385 5.946 2.354 1.00 0.38 C ATOM 1835 C VAL A 437 9.365 5.011 1.654 1.00 0.42 C ATOM 1836 O VAL A 437 9.918 4.087 2.253 1.00 0.49 O ATOM 1837 CB VAL A 437 6.940 5.382 2.256 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.246 5.842 0.992 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.942 3.867 2.304 1.00 0.38 C ATOM 0 H VAL A 437 7.620 7.677 1.424 1.00 0.38 H new ATOM 0 HA VAL A 437 8.640 6.006 3.412 1.00 0.38 H new ATOM 0 HB VAL A 437 6.392 5.768 3.115 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.238 5.428 0.959 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.191 6.931 0.983 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.808 5.500 0.123 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.918 3.499 2.234 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.526 3.477 1.470 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.384 3.533 3.243 1.00 0.38 H new ATOM 1849 N LEU A 438 9.603 5.297 0.391 1.00 0.41 N ATOM 1850 CA LEU A 438 10.499 4.505 -0.427 1.00 0.48 C ATOM 1851 C LEU A 438 11.948 4.932 -0.197 1.00 0.55 C ATOM 1852 O LEU A 438 12.881 4.326 -0.723 1.00 0.62 O ATOM 1853 CB LEU A 438 10.093 4.682 -1.885 1.00 0.48 C ATOM 1854 CG LEU A 438 8.608 4.382 -2.145 1.00 0.47 C ATOM 1855 CD1 LEU A 438 8.240 4.568 -3.606 1.00 0.51 C ATOM 1856 CD2 LEU A 438 8.242 2.982 -1.680 1.00 0.54 C ATOM 0 H LEU A 438 9.180 6.086 -0.098 1.00 0.41 H new ATOM 0 HA LEU A 438 10.428 3.451 -0.157 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.309 5.705 -2.193 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.703 4.026 -2.507 1.00 0.48 H new ATOM 0 HG LEU A 438 8.032 5.102 -1.564 1.00 0.47 H new ATOM 0 HD11 LEU A 438 7.182 4.346 -3.746 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.437 5.598 -3.902 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.837 3.894 -4.220 1.00 0.51 H new ATOM 0 HD21 LEU A 438 7.186 2.798 -1.877 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.844 2.251 -2.219 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.433 2.892 -0.611 1.00 0.54 H new