USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 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 Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 376 TYR OH : rot -100:sc= 0.18 USER MOD Single : A 377 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 GLN : amide:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 399 ASN : amide:sc= -0.621 K(o=-0.62,f=-6!) USER MOD Single : A 401 THR OG1 : rot 180:sc= 0 USER MOD Single : A 402 GLN : amide:sc= -2.22 K(o=-2.2,f=-11!) USER MOD Single : A 406 SER OG : rot -85:sc= 0.558 USER MOD Single : A 411 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0492) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 420 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 421 SER OG : rot 180:sc= 0.0954 USER MOD Single : A 425 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.6!) USER MOD Single : A 429 MET CE :methyl -129:sc= -1.85 (180deg=-6.94!) USER MOD Single : A 430 GLN : amide:sc= -3.76 K(o=-3.8,f=-8.2!) USER MOD Single : A 431 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 434 GLN : amide:sc= -0.555 K(o=-0.55,f=0) USER MOD Single : A 444 TYR OH : rot 0:sc= -1.01 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -10.579 8.474 -6.224 1.00 0.00 N ATOM 45 CA VAL A 371 -10.121 7.405 -5.344 1.00 0.00 C ATOM 46 C VAL A 371 -11.298 6.658 -4.728 1.00 0.00 C ATOM 47 O VAL A 371 -11.776 7.012 -3.650 1.00 0.00 O ATOM 48 CB VAL A 371 -9.228 7.952 -4.214 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.596 6.809 -3.433 1.00 0.00 C ATOM 50 CG2 VAL A 371 -8.159 8.875 -4.778 1.00 0.00 C ATOM 0 HA VAL A 371 -9.539 6.718 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 371 -9.851 8.529 -3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.969 7.214 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -9.380 6.190 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -7.986 6.203 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -7.538 9.252 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.538 8.324 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -8.634 9.712 -5.290 1.00 0.00 H new ATOM 60 N SER A 372 -11.764 5.624 -5.421 1.00 0.00 N ATOM 61 CA SER A 372 -12.887 4.826 -4.942 1.00 0.00 C ATOM 62 C SER A 372 -12.528 4.095 -3.654 1.00 0.00 C ATOM 63 O SER A 372 -11.352 3.881 -3.357 1.00 0.00 O ATOM 64 CB SER A 372 -13.316 3.819 -6.012 1.00 0.00 C ATOM 65 OG SER A 372 -13.577 4.466 -7.246 1.00 0.00 O ATOM 0 H SER A 372 -11.381 5.319 -6.316 1.00 0.00 H new ATOM 0 HA SER A 372 -13.717 5.501 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 372 -12.534 3.072 -6.148 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.209 3.289 -5.680 1.00 0.00 H new ATOM 0 HG SER A 372 -13.847 3.801 -7.913 1.00 0.00 H new ATOM 71 N SER A 373 -13.547 3.713 -2.893 1.00 0.00 N ATOM 72 CA SER A 373 -13.341 3.004 -1.635 1.00 0.00 C ATOM 73 C SER A 373 -12.670 1.652 -1.869 1.00 0.00 C ATOM 74 O SER A 373 -12.063 1.084 -0.961 1.00 0.00 O ATOM 75 CB SER A 373 -14.674 2.804 -0.915 1.00 0.00 C ATOM 76 OG SER A 373 -15.523 3.925 -1.091 1.00 0.00 O ATOM 0 H SER A 373 -14.526 3.883 -3.125 1.00 0.00 H new ATOM 0 HA SER A 373 -12.684 3.611 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.165 1.909 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 373 -14.496 2.642 0.148 1.00 0.00 H new ATOM 0 HG SER A 373 -16.370 3.771 -0.622 1.00 0.00 H new ATOM 82 N GLU A 374 -12.780 1.139 -3.093 1.00 0.00 N ATOM 83 CA GLU A 374 -12.185 -0.147 -3.443 1.00 0.00 C ATOM 84 C GLU A 374 -10.702 -0.183 -3.084 1.00 0.00 C ATOM 85 O GLU A 374 -10.141 -1.252 -2.836 1.00 0.00 O ATOM 86 CB GLU A 374 -12.367 -0.426 -4.936 1.00 0.00 C ATOM 87 CG GLU A 374 -13.808 -0.321 -5.404 1.00 0.00 C ATOM 88 CD GLU A 374 -14.042 -1.015 -6.731 1.00 0.00 C ATOM 89 OE1 GLU A 374 -14.279 -2.241 -6.727 1.00 0.00 O ATOM 90 OE2 GLU A 374 -13.988 -0.332 -7.776 1.00 0.00 O ATOM 0 H GLU A 374 -13.276 1.595 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.695 -0.921 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.757 0.276 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.994 -1.426 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -14.464 -0.756 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -14.081 0.730 -5.495 1.00 0.00 H new ATOM 97 N ILE A 375 -10.071 0.987 -3.056 1.00 0.00 N ATOM 98 CA ILE A 375 -8.655 1.082 -2.726 1.00 0.00 C ATOM 99 C ILE A 375 -8.370 0.489 -1.349 1.00 0.00 C ATOM 100 O ILE A 375 -7.387 -0.226 -1.161 1.00 0.00 O ATOM 101 CB ILE A 375 -8.166 2.545 -2.760 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.652 2.609 -2.543 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.892 3.377 -1.712 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.850 2.196 -3.757 1.00 0.00 C ATOM 0 H ILE A 375 -10.518 1.881 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 375 -8.114 0.511 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.391 2.960 -3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.376 3.626 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.386 1.965 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.533 4.406 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -9.964 3.358 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.700 2.964 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.786 2.266 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -6.098 1.169 -4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -6.088 2.856 -4.592 1.00 0.00 H new ATOM 116 N TYR A 376 -9.239 0.791 -0.390 1.00 0.00 N ATOM 117 CA TYR A 376 -9.083 0.288 0.970 1.00 0.00 C ATOM 118 C TYR A 376 -9.354 -1.211 1.031 1.00 0.00 C ATOM 119 O TYR A 376 -8.611 -1.960 1.669 1.00 0.00 O ATOM 120 CB TYR A 376 -10.030 1.026 1.919 1.00 0.00 C ATOM 121 CG TYR A 376 -9.756 2.511 2.016 1.00 0.00 C ATOM 122 CD1 TYR A 376 -8.804 3.005 2.898 1.00 0.00 C ATOM 123 CD2 TYR A 376 -10.453 3.417 1.225 1.00 0.00 C ATOM 124 CE1 TYR A 376 -8.553 4.362 2.989 1.00 0.00 C ATOM 125 CE2 TYR A 376 -10.206 4.774 1.310 1.00 0.00 C ATOM 126 CZ TYR A 376 -9.256 5.242 2.194 1.00 0.00 C ATOM 127 OH TYR A 376 -9.008 6.592 2.283 1.00 0.00 O ATOM 0 H TYR A 376 -10.059 1.382 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 376 -8.053 0.466 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -11.056 0.876 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.951 0.585 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -8.251 2.319 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -11.199 3.055 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -7.809 4.731 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -10.754 5.465 0.687 1.00 0.00 H new ATOM 0 HH TYR A 376 -9.694 7.015 2.840 1.00 0.00 H new ATOM 137 N GLN A 377 -10.418 -1.645 0.365 1.00 0.00 N ATOM 138 CA GLN A 377 -10.785 -3.056 0.343 1.00 0.00 C ATOM 139 C GLN A 377 -9.728 -3.883 -0.381 1.00 0.00 C ATOM 140 O GLN A 377 -9.510 -5.051 -0.055 1.00 0.00 O ATOM 141 CB GLN A 377 -12.146 -3.240 -0.332 1.00 0.00 C ATOM 142 CG GLN A 377 -12.751 -4.618 -0.117 1.00 0.00 C ATOM 143 CD GLN A 377 -13.984 -4.853 -0.967 1.00 0.00 C ATOM 144 OE1 GLN A 377 -15.076 -4.394 -0.636 1.00 0.00 O ATOM 145 NE2 GLN A 377 -13.813 -5.574 -2.069 1.00 0.00 N ATOM 0 H GLN A 377 -11.042 -1.039 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.848 -3.405 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -12.836 -2.486 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -12.038 -3.063 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -12.005 -5.378 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -13.011 -4.736 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -12.888 -5.935 -2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -14.606 -5.767 -2.680 1.00 0.00 H new ATOM 154 N TRP A 378 -9.077 -3.272 -1.363 1.00 0.00 N ATOM 155 CA TRP A 378 -8.044 -3.954 -2.134 1.00 0.00 C ATOM 156 C TRP A 378 -6.796 -4.183 -1.288 1.00 0.00 C ATOM 157 O TRP A 378 -6.112 -5.196 -1.433 1.00 0.00 O ATOM 158 CB TRP A 378 -7.688 -3.142 -3.381 1.00 0.00 C ATOM 159 CG TRP A 378 -8.769 -3.143 -4.420 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.806 -4.024 -4.527 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.918 -2.215 -5.503 1.00 0.00 C ATOM 162 NE1 TRP A 378 -10.591 -3.701 -5.608 1.00 0.00 N ATOM 163 CE2 TRP A 378 -10.066 -2.596 -6.223 1.00 0.00 C ATOM 164 CE3 TRP A 378 -8.192 -1.100 -5.933 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -10.505 -1.901 -7.348 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -8.629 -0.411 -7.049 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.775 -0.813 -7.745 1.00 0.00 C ATOM 0 H TRP A 378 -9.246 -2.306 -1.645 1.00 0.00 H new ATOM 0 HA TRP A 378 -8.436 -4.924 -2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -7.477 -2.114 -3.088 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.774 -3.543 -3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.984 -4.854 -3.859 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -11.428 -4.203 -5.904 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -7.306 -0.783 -5.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -11.389 -2.209 -7.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -8.077 0.452 -7.390 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -10.090 -0.253 -8.613 1.00 0.00 H new ATOM 178 N VAL A 379 -6.505 -3.235 -0.401 1.00 0.00 N ATOM 179 CA VAL A 379 -5.340 -3.336 0.471 1.00 0.00 C ATOM 180 C VAL A 379 -5.474 -4.515 1.429 1.00 0.00 C ATOM 181 O VAL A 379 -4.496 -5.200 1.727 1.00 0.00 O ATOM 182 CB VAL A 379 -5.136 -2.047 1.288 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.816 -2.097 2.043 1.00 0.00 C ATOM 184 CG2 VAL A 379 -5.200 -0.823 0.385 1.00 0.00 C ATOM 0 H VAL A 379 -7.060 -2.389 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 379 -4.474 -3.489 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.942 -1.970 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.689 -1.178 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.817 -2.950 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.995 -2.200 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -5.054 0.077 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -4.418 -0.888 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -6.174 -0.781 -0.102 1.00 0.00 H new ATOM 194 N ARG A 380 -6.693 -4.743 1.907 1.00 0.00 N ATOM 195 CA ARG A 380 -6.959 -5.838 2.832 1.00 0.00 C ATOM 196 C ARG A 380 -6.934 -7.182 2.108 1.00 0.00 C ATOM 197 O ARG A 380 -6.444 -8.177 2.642 1.00 0.00 O ATOM 198 CB ARG A 380 -8.315 -5.639 3.512 1.00 0.00 C ATOM 199 CG ARG A 380 -8.312 -4.547 4.566 1.00 0.00 C ATOM 200 CD ARG A 380 -9.627 -3.780 4.582 1.00 0.00 C ATOM 201 NE ARG A 380 -10.592 -4.366 5.511 1.00 0.00 N ATOM 202 CZ ARG A 380 -11.491 -5.288 5.170 1.00 0.00 C ATOM 203 NH1 ARG A 380 -11.557 -5.741 3.923 1.00 0.00 N ATOM 204 NH2 ARG A 380 -12.328 -5.762 6.084 1.00 0.00 N ATOM 0 H ARG A 380 -7.512 -4.184 1.669 1.00 0.00 H new ATOM 0 HA ARG A 380 -6.175 -5.839 3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -9.060 -5.399 2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.622 -6.577 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -8.135 -4.988 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -7.490 -3.857 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -9.439 -2.743 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -10.052 -3.768 3.578 1.00 0.00 H new ATOM 0 HE ARG A 380 -10.576 -4.049 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -10.915 -5.383 3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -12.249 -6.447 3.673 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -12.282 -5.420 7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -13.018 -6.468 5.827 1.00 0.00 H new ATOM 218 N ASP A 381 -7.466 -7.200 0.891 1.00 0.00 N ATOM 219 CA ASP A 381 -7.506 -8.420 0.091 1.00 0.00 C ATOM 220 C ASP A 381 -6.122 -8.764 -0.448 1.00 0.00 C ATOM 221 O ASP A 381 -5.764 -9.935 -0.572 1.00 0.00 O ATOM 222 CB ASP A 381 -8.493 -8.263 -1.065 1.00 0.00 C ATOM 223 CG ASP A 381 -9.276 -9.533 -1.334 1.00 0.00 C ATOM 224 OD1 ASP A 381 -8.651 -10.614 -1.394 1.00 0.00 O ATOM 225 OD2 ASP A 381 -10.513 -9.449 -1.483 1.00 0.00 O ATOM 0 H ASP A 381 -7.876 -6.384 0.436 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.837 -9.236 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -9.187 -7.453 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.950 -7.976 -1.966 1.00 0.00 H new ATOM 230 N GLU A 382 -5.345 -7.733 -0.768 1.00 0.00 N ATOM 231 CA GLU A 382 -3.999 -7.926 -1.296 1.00 0.00 C ATOM 232 C GLU A 382 -3.051 -8.420 -0.208 1.00 0.00 C ATOM 233 O GLU A 382 -2.304 -9.378 -0.410 1.00 0.00 O ATOM 234 CB GLU A 382 -3.471 -6.620 -1.894 1.00 0.00 C ATOM 235 CG GLU A 382 -2.356 -6.822 -2.908 1.00 0.00 C ATOM 236 CD GLU A 382 -2.846 -7.460 -4.194 1.00 0.00 C ATOM 237 OE1 GLU A 382 -3.592 -6.791 -4.940 1.00 0.00 O ATOM 238 OE2 GLU A 382 -2.483 -8.625 -4.452 1.00 0.00 O ATOM 0 H GLU A 382 -5.624 -6.757 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 382 -4.049 -8.683 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -4.295 -6.090 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -3.107 -5.982 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.898 -5.859 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.580 -7.448 -2.469 1.00 0.00 H new ATOM 245 N LEU A 383 -3.088 -7.761 0.945 1.00 0.00 N ATOM 246 CA LEU A 383 -2.232 -8.133 2.065 1.00 0.00 C ATOM 247 C LEU A 383 -2.501 -9.569 2.505 1.00 0.00 C ATOM 248 O LEU A 383 -1.603 -10.260 2.986 1.00 0.00 O ATOM 249 CB LEU A 383 -2.450 -7.177 3.240 1.00 0.00 C ATOM 250 CG LEU A 383 -1.684 -5.857 3.151 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.070 -4.937 4.300 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.184 -6.112 3.150 1.00 0.00 C ATOM 0 H LEU A 383 -3.701 -6.967 1.128 1.00 0.00 H new ATOM 0 HA LEU A 383 -1.195 -8.063 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.515 -6.957 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.162 -7.685 4.160 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.950 -5.366 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -1.515 -4.002 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.139 -4.729 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -1.833 -5.420 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.347 -5.162 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 383 0.099 -6.624 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 383 0.079 -6.733 2.293 1.00 0.00 H new ATOM 264 N LYS A 384 -3.743 -10.011 2.337 1.00 0.00 N ATOM 265 CA LYS A 384 -4.129 -11.365 2.717 1.00 0.00 C ATOM 266 C LYS A 384 -3.743 -12.365 1.633 1.00 0.00 C ATOM 267 O LYS A 384 -3.300 -13.476 1.927 1.00 0.00 O ATOM 268 CB LYS A 384 -5.635 -11.435 2.977 1.00 0.00 C ATOM 269 CG LYS A 384 -6.044 -10.886 4.335 1.00 0.00 C ATOM 270 CD LYS A 384 -7.378 -11.458 4.788 1.00 0.00 C ATOM 271 CE LYS A 384 -7.699 -11.058 6.219 1.00 0.00 C ATOM 272 NZ LYS A 384 -8.628 -9.897 6.276 1.00 0.00 N ATOM 0 H LYS A 384 -4.499 -9.452 1.941 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.596 -11.624 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -6.156 -10.879 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -5.961 -12.472 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.276 -11.124 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.111 -9.799 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.169 -11.108 4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -7.354 -12.545 4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -8.144 -11.905 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.776 -10.810 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -8.822 -9.656 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -8.193 -9.081 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -9.519 -10.142 5.799 1.00 0.00 H new ATOM 286 N ARG A 385 -3.913 -11.964 0.377 1.00 0.00 N ATOM 287 CA ARG A 385 -3.582 -12.826 -0.752 1.00 0.00 C ATOM 288 C ARG A 385 -2.070 -12.949 -0.918 1.00 0.00 C ATOM 289 O ARG A 385 -1.567 -13.986 -1.348 1.00 0.00 O ATOM 290 CB ARG A 385 -4.204 -12.276 -2.039 1.00 0.00 C ATOM 291 CG ARG A 385 -5.627 -12.755 -2.276 1.00 0.00 C ATOM 292 CD ARG A 385 -5.921 -12.907 -3.760 1.00 0.00 C ATOM 293 NE ARG A 385 -6.882 -13.976 -4.022 1.00 0.00 N ATOM 294 CZ ARG A 385 -8.195 -13.849 -3.853 1.00 0.00 C ATOM 295 NH1 ARG A 385 -8.709 -12.703 -3.424 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.999 -14.872 -4.113 1.00 0.00 N ATOM 0 H ARG A 385 -4.278 -11.048 0.116 1.00 0.00 H new ATOM 0 HA ARG A 385 -3.990 -13.817 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -4.197 -11.187 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -3.584 -12.568 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.779 -13.710 -1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -6.329 -12.047 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -6.310 -11.967 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -4.994 -13.115 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 385 -6.525 -14.872 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -8.096 -11.913 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -9.717 -12.612 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -8.610 -15.756 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -10.006 -14.775 -3.983 1.00 0.00 H new ATOM 310 N ALA A 386 -1.353 -11.884 -0.575 1.00 0.00 N ATOM 311 CA ALA A 386 0.100 -11.873 -0.687 1.00 0.00 C ATOM 312 C ALA A 386 0.744 -12.666 0.447 1.00 0.00 C ATOM 313 O ALA A 386 1.337 -13.720 0.221 1.00 0.00 O ATOM 314 CB ALA A 386 0.618 -10.444 -0.695 1.00 0.00 C ATOM 0 H ALA A 386 -1.755 -11.018 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 386 0.371 -12.350 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 386 1.705 -10.451 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 386 0.192 -9.907 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.329 -9.947 0.231 1.00 0.00 H new ATOM 320 N GLY A 387 0.622 -12.150 1.665 1.00 0.00 N ATOM 321 CA GLY A 387 1.197 -12.822 2.815 1.00 0.00 C ATOM 322 C GLY A 387 2.435 -12.119 3.338 1.00 0.00 C ATOM 323 O GLY A 387 3.514 -12.709 3.398 1.00 0.00 O ATOM 0 H GLY A 387 0.135 -11.279 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.452 -12.879 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 387 1.452 -13.846 2.544 1.00 0.00 H new ATOM 327 N ILE A 388 2.278 -10.854 3.717 1.00 0.00 N ATOM 328 CA ILE A 388 3.391 -10.069 4.237 1.00 0.00 C ATOM 329 C ILE A 388 2.939 -9.168 5.382 1.00 0.00 C ATOM 330 O ILE A 388 1.768 -9.167 5.760 1.00 0.00 O ATOM 331 CB ILE A 388 4.027 -9.199 3.136 1.00 0.00 C ATOM 332 CG1 ILE A 388 2.976 -8.285 2.507 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.677 -10.077 2.077 1.00 0.00 C ATOM 334 CD1 ILE A 388 3.567 -7.164 1.679 1.00 0.00 C ATOM 0 H ILE A 388 1.391 -10.352 3.674 1.00 0.00 H new ATOM 0 HA ILE A 388 4.134 -10.777 4.605 1.00 0.00 H new ATOM 0 HB ILE A 388 4.799 -8.575 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 388 2.317 -8.882 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 388 2.360 -7.856 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 388 5.122 -9.448 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.452 -10.689 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.923 -10.723 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.763 -6.556 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 388 4.204 -6.543 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 388 4.160 -7.585 0.867 1.00 0.00 H new ATOM 346 N SER A 389 3.878 -8.400 5.929 1.00 0.00 N ATOM 347 CA SER A 389 3.575 -7.495 7.031 1.00 0.00 C ATOM 348 C SER A 389 3.241 -6.100 6.510 1.00 0.00 C ATOM 349 O SER A 389 3.669 -5.713 5.424 1.00 0.00 O ATOM 350 CB SER A 389 4.758 -7.423 8.000 1.00 0.00 C ATOM 351 OG SER A 389 4.585 -8.321 9.082 1.00 0.00 O ATOM 0 H SER A 389 4.852 -8.387 5.627 1.00 0.00 H new ATOM 0 HA SER A 389 2.705 -7.884 7.561 1.00 0.00 H new ATOM 0 HB2 SER A 389 5.681 -7.660 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 389 4.860 -6.406 8.380 1.00 0.00 H new ATOM 0 HG SER A 389 5.354 -8.258 9.686 1.00 0.00 H new ATOM 357 N GLN A 390 2.472 -5.350 7.293 1.00 0.00 N ATOM 358 CA GLN A 390 2.078 -3.997 6.912 1.00 0.00 C ATOM 359 C GLN A 390 3.301 -3.114 6.689 1.00 0.00 C ATOM 360 O GLN A 390 3.266 -2.180 5.887 1.00 0.00 O ATOM 361 CB GLN A 390 1.177 -3.386 7.988 1.00 0.00 C ATOM 362 CG GLN A 390 -0.245 -3.129 7.515 1.00 0.00 C ATOM 363 CD GLN A 390 -1.285 -3.568 8.526 1.00 0.00 C ATOM 364 OE1 GLN A 390 -1.195 -3.240 9.710 1.00 0.00 O ATOM 365 NE2 GLN A 390 -2.281 -4.318 8.066 1.00 0.00 N ATOM 0 H GLN A 390 2.109 -5.656 8.196 1.00 0.00 H new ATOM 0 HA GLN A 390 1.524 -4.056 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 390 1.150 -4.053 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 390 1.614 -2.447 8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 390 -0.369 -2.066 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 390 -0.412 -3.656 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -2.318 -4.567 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -3.009 -4.645 8.701 1.00 0.00 H new ATOM 374 N ALA A 391 4.382 -3.411 7.402 1.00 0.00 N ATOM 375 CA ALA A 391 5.614 -2.641 7.280 1.00 0.00 C ATOM 376 C ALA A 391 6.163 -2.702 5.858 1.00 0.00 C ATOM 377 O ALA A 391 6.527 -1.680 5.278 1.00 0.00 O ATOM 378 CB ALA A 391 6.652 -3.146 8.271 1.00 0.00 C ATOM 0 H ALA A 391 4.430 -4.180 8.071 1.00 0.00 H new ATOM 0 HA ALA A 391 5.386 -1.600 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 391 7.567 -2.562 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 391 6.267 -3.043 9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 391 6.867 -4.195 8.070 1.00 0.00 H new ATOM 384 N VAL A 392 6.220 -3.910 5.304 1.00 0.00 N ATOM 385 CA VAL A 392 6.725 -4.103 3.948 1.00 0.00 C ATOM 386 C VAL A 392 5.788 -3.483 2.919 1.00 0.00 C ATOM 387 O VAL A 392 6.216 -2.708 2.064 1.00 0.00 O ATOM 388 CB VAL A 392 6.905 -5.598 3.625 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.608 -5.775 2.287 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.678 -6.296 4.735 1.00 0.00 C ATOM 0 H VAL A 392 5.924 -4.767 5.771 1.00 0.00 H new ATOM 0 HA VAL A 392 7.694 -3.607 3.898 1.00 0.00 H new ATOM 0 HB VAL A 392 5.918 -6.056 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.726 -6.838 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.013 -5.313 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.589 -5.301 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 392 7.795 -7.351 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.661 -5.836 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 392 7.132 -6.201 5.674 1.00 0.00 H new ATOM 400 N PHE A 393 4.509 -3.829 3.006 1.00 0.00 N ATOM 401 CA PHE A 393 3.509 -3.307 2.082 1.00 0.00 C ATOM 402 C PHE A 393 3.461 -1.782 2.133 1.00 0.00 C ATOM 403 O PHE A 393 3.426 -1.116 1.098 1.00 0.00 O ATOM 404 CB PHE A 393 2.131 -3.884 2.409 1.00 0.00 C ATOM 405 CG PHE A 393 1.051 -3.435 1.466 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.380 -2.241 1.676 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.707 -4.208 0.369 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.614 -1.825 0.811 1.00 0.00 C ATOM 409 CE2 PHE A 393 -0.286 -3.798 -0.501 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.948 -2.605 -0.279 1.00 0.00 C ATOM 0 H PHE A 393 4.139 -4.470 3.708 1.00 0.00 H new ATOM 0 HA PHE A 393 3.791 -3.609 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.188 -4.972 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.858 -3.597 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.637 -1.628 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.220 -5.141 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -1.129 -0.892 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.544 -4.409 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.725 -2.283 -0.957 1.00 0.00 H new ATOM 420 N ALA A 394 3.460 -1.236 3.344 1.00 0.00 N ATOM 421 CA ALA A 394 3.416 0.208 3.532 1.00 0.00 C ATOM 422 C ALA A 394 4.655 0.878 2.947 1.00 0.00 C ATOM 423 O ALA A 394 4.603 2.025 2.504 1.00 0.00 O ATOM 424 CB ALA A 394 3.280 0.544 5.010 1.00 0.00 C ATOM 0 H ALA A 394 3.489 -1.773 4.211 1.00 0.00 H new ATOM 0 HA ALA A 394 2.544 0.591 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.248 1.626 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.361 0.106 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.133 0.140 5.555 1.00 0.00 H new ATOM 430 N ARG A 395 5.771 0.155 2.950 1.00 0.00 N ATOM 431 CA ARG A 395 7.023 0.680 2.420 1.00 0.00 C ATOM 432 C ARG A 395 7.017 0.668 0.895 1.00 0.00 C ATOM 433 O ARG A 395 7.301 1.680 0.255 1.00 0.00 O ATOM 434 CB ARG A 395 8.207 -0.137 2.943 1.00 0.00 C ATOM 435 CG ARG A 395 9.438 0.701 3.248 1.00 0.00 C ATOM 436 CD ARG A 395 9.218 1.601 4.453 1.00 0.00 C ATOM 437 NE ARG A 395 9.501 3.002 4.149 1.00 0.00 N ATOM 438 CZ ARG A 395 10.730 3.515 4.092 1.00 0.00 C ATOM 439 NH1 ARG A 395 11.787 2.747 4.321 1.00 0.00 N ATOM 440 NH2 ARG A 395 10.898 4.797 3.806 1.00 0.00 N ATOM 0 H ARG A 395 5.833 -0.796 3.314 1.00 0.00 H new ATOM 0 HA ARG A 395 7.125 1.712 2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 395 7.903 -0.663 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.468 -0.896 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.288 0.045 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 395 9.689 1.310 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 395 8.187 1.505 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 395 9.857 1.272 5.273 1.00 0.00 H new ATOM 0 HE ARG A 395 8.712 3.624 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 395 11.661 1.759 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 395 12.725 3.144 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 395 10.088 5.391 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 395 11.838 5.191 3.762 1.00 0.00 H new ATOM 454 N VAL A 396 6.691 -0.485 0.317 1.00 0.00 N ATOM 455 CA VAL A 396 6.648 -0.628 -1.132 1.00 0.00 C ATOM 456 C VAL A 396 5.514 0.195 -1.734 1.00 0.00 C ATOM 457 O VAL A 396 5.650 0.762 -2.817 1.00 0.00 O ATOM 458 CB VAL A 396 6.475 -2.102 -1.547 1.00 0.00 C ATOM 459 CG1 VAL A 396 7.673 -2.928 -1.099 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.184 -2.671 -0.980 1.00 0.00 C ATOM 0 H VAL A 396 6.453 -1.333 0.832 1.00 0.00 H new ATOM 0 HA VAL A 396 7.601 -0.261 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 396 6.417 -2.148 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.533 -3.966 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.579 -2.535 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 396 7.766 -2.875 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.081 -3.712 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.207 -2.612 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.337 -2.097 -1.357 1.00 0.00 H new ATOM 470 N ALA A 397 4.391 0.254 -1.023 1.00 0.00 N ATOM 471 CA ALA A 397 3.234 1.006 -1.486 1.00 0.00 C ATOM 472 C ALA A 397 3.507 2.507 -1.462 1.00 0.00 C ATOM 473 O ALA A 397 3.417 3.179 -2.490 1.00 0.00 O ATOM 474 CB ALA A 397 2.015 0.677 -0.636 1.00 0.00 C ATOM 0 H ALA A 397 4.260 -0.211 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 397 3.034 0.716 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.157 1.247 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 397 1.798 -0.389 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.215 0.937 0.403 1.00 0.00 H new ATOM 480 N PHE A 398 3.839 3.025 -0.286 1.00 0.00 N ATOM 481 CA PHE A 398 4.125 4.445 -0.129 1.00 0.00 C ATOM 482 C PHE A 398 5.117 4.683 1.004 1.00 0.00 C ATOM 483 O PHE A 398 4.795 4.485 2.175 1.00 0.00 O ATOM 484 CB PHE A 398 2.834 5.220 0.138 1.00 0.00 C ATOM 485 CG PHE A 398 2.038 4.681 1.293 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.250 3.551 1.139 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.076 5.305 2.529 1.00 0.00 C ATOM 488 CE1 PHE A 398 0.517 3.052 2.199 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.344 4.810 3.592 1.00 0.00 C ATOM 490 CZ PHE A 398 0.564 3.683 3.427 1.00 0.00 C ATOM 0 H PHE A 398 3.917 2.482 0.574 1.00 0.00 H new ATOM 0 HA PHE A 398 4.572 4.802 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 398 3.080 6.264 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 398 2.216 5.200 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.208 3.055 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.684 6.187 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 398 -0.092 2.170 2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.382 5.305 4.551 1.00 0.00 H new ATOM 0 HZ PHE A 398 -0.009 3.295 4.257 1.00 0.00 H new ATOM 500 N ASN A 399 6.326 5.106 0.647 1.00 0.00 N ATOM 501 CA ASN A 399 7.365 5.371 1.635 1.00 0.00 C ATOM 502 C ASN A 399 7.096 6.681 2.369 1.00 0.00 C ATOM 503 O ASN A 399 7.033 7.746 1.757 1.00 0.00 O ATOM 504 CB ASN A 399 8.737 5.425 0.960 1.00 0.00 C ATOM 505 CG ASN A 399 8.812 6.490 -0.114 1.00 0.00 C ATOM 506 OD1 ASN A 399 7.788 6.956 -0.615 1.00 0.00 O ATOM 507 ND2 ASN A 399 10.027 6.883 -0.478 1.00 0.00 N ATOM 0 H ASN A 399 6.610 5.272 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 399 7.356 4.559 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 399 9.502 5.618 1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 399 8.961 4.453 0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 399 10.138 7.597 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.850 6.471 -0.037 1.00 0.00 H new ATOM 514 N ARG A 400 6.934 6.592 3.685 1.00 0.00 N ATOM 515 CA ARG A 400 6.669 7.771 4.503 1.00 0.00 C ATOM 516 C ARG A 400 7.017 7.507 5.965 1.00 0.00 C ATOM 517 O ARG A 400 7.940 8.111 6.511 1.00 0.00 O ATOM 518 CB ARG A 400 5.200 8.179 4.381 1.00 0.00 C ATOM 519 CG ARG A 400 4.989 9.685 4.338 1.00 0.00 C ATOM 520 CD ARG A 400 4.390 10.204 5.636 1.00 0.00 C ATOM 521 NE ARG A 400 3.851 11.554 5.491 1.00 0.00 N ATOM 522 CZ ARG A 400 2.974 12.097 6.333 1.00 0.00 C ATOM 523 NH1 ARG A 400 2.536 11.409 7.380 1.00 0.00 N ATOM 524 NH2 ARG A 400 2.533 13.330 6.125 1.00 0.00 N ATOM 0 H ARG A 400 6.981 5.717 4.208 1.00 0.00 H new ATOM 0 HA ARG A 400 7.297 8.585 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.782 7.736 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.646 7.767 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 400 5.942 10.181 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 400 4.331 9.937 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 400 3.598 9.531 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 400 5.153 10.200 6.414 1.00 0.00 H new ATOM 0 HE ARG A 400 4.165 12.114 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 400 2.871 10.460 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 400 1.864 11.830 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 400 2.866 13.862 5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 400 1.861 13.747 6.769 1.00 0.00 H new ATOM 538 N THR A 401 6.273 6.602 6.591 1.00 0.00 N ATOM 539 CA THR A 401 6.502 6.259 7.989 1.00 0.00 C ATOM 540 C THR A 401 5.859 4.922 8.338 1.00 0.00 C ATOM 541 O THR A 401 4.810 4.566 7.800 1.00 0.00 O ATOM 542 CB THR A 401 5.949 7.343 8.933 1.00 0.00 C ATOM 543 OG1 THR A 401 6.006 6.889 10.289 1.00 0.00 O ATOM 544 CG2 THR A 401 4.513 7.692 8.570 1.00 0.00 C ATOM 0 H THR A 401 5.506 6.093 6.152 1.00 0.00 H new ATOM 0 HA THR A 401 7.581 6.188 8.124 1.00 0.00 H new ATOM 0 HB THR A 401 6.564 8.237 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 401 5.654 7.585 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 401 4.142 8.459 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 401 4.477 8.065 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 401 3.890 6.802 8.654 1.00 0.00 H new ATOM 552 N GLN A 402 6.494 4.183 9.243 1.00 0.00 N ATOM 553 CA GLN A 402 5.983 2.885 9.664 1.00 0.00 C ATOM 554 C GLN A 402 4.867 3.047 10.691 1.00 0.00 C ATOM 555 O GLN A 402 4.870 3.989 11.483 1.00 0.00 O ATOM 556 CB GLN A 402 7.111 2.033 10.250 1.00 0.00 C ATOM 557 CG GLN A 402 8.108 1.548 9.210 1.00 0.00 C ATOM 558 CD GLN A 402 7.576 0.389 8.390 1.00 0.00 C ATOM 559 OE1 GLN A 402 6.729 -0.376 8.852 1.00 0.00 O ATOM 560 NE2 GLN A 402 8.070 0.254 7.165 1.00 0.00 N ATOM 0 H GLN A 402 7.363 4.462 9.698 1.00 0.00 H new ATOM 0 HA GLN A 402 5.576 2.382 8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 402 7.640 2.614 11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 402 6.678 1.170 10.757 1.00 0.00 H new ATOM 0 HG2 GLN A 402 8.363 2.372 8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 402 9.028 1.244 9.708 1.00 0.00 H new ATOM 0 HE21 GLN A 402 8.771 0.911 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 402 7.749 -0.507 6.566 1.00 0.00 H new ATOM 569 N GLY A 403 3.913 2.122 10.670 1.00 0.00 N ATOM 570 CA GLY A 403 2.803 2.181 11.603 1.00 0.00 C ATOM 571 C GLY A 403 1.763 3.217 11.215 1.00 0.00 C ATOM 572 O GLY A 403 0.794 3.434 11.943 1.00 0.00 O ATOM 0 H GLY A 403 3.889 1.333 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 403 2.329 1.201 11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.183 2.409 12.599 1.00 0.00 H new ATOM 576 N LEU A 404 1.959 3.858 10.065 1.00 0.00 N ATOM 577 CA LEU A 404 1.026 4.872 9.589 1.00 0.00 C ATOM 578 C LEU A 404 -0.088 4.241 8.759 1.00 0.00 C ATOM 579 O LEU A 404 -1.207 4.748 8.716 1.00 0.00 O ATOM 580 CB LEU A 404 1.765 5.924 8.756 1.00 0.00 C ATOM 581 CG LEU A 404 0.890 7.065 8.235 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.698 8.124 9.310 1.00 0.00 C ATOM 583 CD2 LEU A 404 1.506 7.677 6.985 1.00 0.00 C ATOM 0 H LEU A 404 2.754 3.693 9.448 1.00 0.00 H new ATOM 0 HA LEU A 404 0.578 5.354 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 404 2.567 6.348 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 404 2.235 5.429 7.906 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.088 6.660 7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 404 0.073 8.928 8.921 1.00 0.00 H new ATOM 0 HD12 LEU A 404 0.215 7.677 10.179 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.668 8.527 9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.872 8.488 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 404 2.496 8.068 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 404 1.592 6.914 6.211 1.00 0.00 H new ATOM 595 N LEU A 405 0.228 3.130 8.099 1.00 0.00 N ATOM 596 CA LEU A 405 -0.747 2.431 7.272 1.00 0.00 C ATOM 597 C LEU A 405 -1.906 1.900 8.115 1.00 0.00 C ATOM 598 O LEU A 405 -2.988 1.625 7.595 1.00 0.00 O ATOM 599 CB LEU A 405 -0.077 1.277 6.523 1.00 0.00 C ATOM 600 CG LEU A 405 -0.900 0.680 5.381 1.00 0.00 C ATOM 601 CD1 LEU A 405 -0.003 0.307 4.212 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.681 -0.533 5.864 1.00 0.00 C ATOM 0 H LEU A 405 1.151 2.696 8.122 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.147 3.144 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.873 1.629 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 405 0.153 0.486 7.237 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.610 1.433 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 405 -0.608 -0.116 3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 405 0.510 1.197 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.733 -0.428 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -2.261 -0.945 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -0.988 -1.289 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.355 -0.236 6.668 1.00 0.00 H new ATOM 614 N SER A 406 -1.672 1.753 9.416 1.00 0.00 N ATOM 615 CA SER A 406 -2.697 1.252 10.325 1.00 0.00 C ATOM 616 C SER A 406 -3.833 2.257 10.483 1.00 0.00 C ATOM 617 O SER A 406 -4.972 1.988 10.099 1.00 0.00 O ATOM 618 CB SER A 406 -2.085 0.938 11.691 1.00 0.00 C ATOM 619 OG SER A 406 -1.674 2.123 12.351 1.00 0.00 O ATOM 0 H SER A 406 -0.782 1.974 9.864 1.00 0.00 H new ATOM 0 HA SER A 406 -3.107 0.338 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 406 -2.813 0.409 12.306 1.00 0.00 H new ATOM 0 HB3 SER A 406 -1.231 0.273 11.566 1.00 0.00 H new ATOM 0 HG SER A 406 -0.774 2.369 12.051 1.00 0.00 H new ATOM 625 N GLU A 407 -3.520 3.415 11.060 1.00 0.00 N ATOM 626 CA GLU A 407 -4.518 4.460 11.277 1.00 0.00 C ATOM 627 C GLU A 407 -5.245 4.808 9.981 1.00 0.00 C ATOM 628 O GLU A 407 -6.456 5.025 9.980 1.00 0.00 O ATOM 629 CB GLU A 407 -3.858 5.712 11.858 1.00 0.00 C ATOM 630 CG GLU A 407 -2.664 6.203 11.054 1.00 0.00 C ATOM 631 CD GLU A 407 -1.661 6.959 11.902 1.00 0.00 C ATOM 632 OE1 GLU A 407 -1.897 8.155 12.175 1.00 0.00 O ATOM 633 OE2 GLU A 407 -0.642 6.355 12.295 1.00 0.00 O ATOM 0 H GLU A 407 -2.583 3.653 11.386 1.00 0.00 H new ATOM 0 HA GLU A 407 -5.252 4.079 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -4.599 6.509 11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -3.536 5.502 12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -2.170 5.351 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -3.014 6.849 10.249 1.00 0.00 H new ATOM 640 N ILE A 408 -4.502 4.860 8.880 1.00 0.00 N ATOM 641 CA ILE A 408 -5.084 5.182 7.582 1.00 0.00 C ATOM 642 C ILE A 408 -6.159 4.170 7.200 1.00 0.00 C ATOM 643 O ILE A 408 -7.144 4.513 6.546 1.00 0.00 O ATOM 644 CB ILE A 408 -4.008 5.226 6.477 1.00 0.00 C ATOM 645 CG1 ILE A 408 -2.916 6.233 6.841 1.00 0.00 C ATOM 646 CG2 ILE A 408 -4.633 5.580 5.133 1.00 0.00 C ATOM 647 CD1 ILE A 408 -1.615 6.008 6.102 1.00 0.00 C ATOM 0 H ILE A 408 -3.498 4.684 8.861 1.00 0.00 H new ATOM 0 HA ILE A 408 -5.536 6.170 7.671 1.00 0.00 H new ATOM 0 HB ILE A 408 -3.557 4.237 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.276 7.240 6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -2.729 6.182 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -3.858 5.606 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -5.379 4.830 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -5.110 6.558 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -0.887 6.759 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.232 5.014 6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -1.788 6.089 5.029 1.00 0.00 H new ATOM 659 N LEU A 409 -5.965 2.921 7.614 1.00 0.00 N ATOM 660 CA LEU A 409 -6.920 1.861 7.316 1.00 0.00 C ATOM 661 C LEU A 409 -7.958 1.737 8.426 1.00 0.00 C ATOM 662 O LEU A 409 -9.104 1.361 8.180 1.00 0.00 O ATOM 663 CB LEU A 409 -6.191 0.527 7.128 1.00 0.00 C ATOM 664 CG LEU A 409 -6.056 0.063 5.676 1.00 0.00 C ATOM 665 CD1 LEU A 409 -5.173 -1.173 5.591 1.00 0.00 C ATOM 666 CD2 LEU A 409 -7.424 -0.216 5.075 1.00 0.00 C ATOM 0 H LEU A 409 -5.155 2.619 8.156 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.435 2.118 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.194 0.611 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -6.720 -0.242 7.692 1.00 0.00 H new ATOM 0 HG LEU A 409 -5.586 0.862 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -5.088 -1.489 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -4.182 -0.940 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -5.615 -1.977 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -7.308 -0.545 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -7.922 -0.997 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -8.025 0.693 5.101 1.00 0.00 H new ATOM 678 N ARG A 410 -7.549 2.058 9.650 1.00 0.00 N ATOM 679 CA ARG A 410 -8.443 1.985 10.799 1.00 0.00 C ATOM 680 C ARG A 410 -9.468 3.113 10.764 1.00 0.00 C ATOM 681 O ARG A 410 -10.641 2.912 11.085 1.00 0.00 O ATOM 682 CB ARG A 410 -7.641 2.048 12.100 1.00 0.00 C ATOM 683 CG ARG A 410 -8.386 1.491 13.302 1.00 0.00 C ATOM 684 CD ARG A 410 -7.595 1.684 14.586 1.00 0.00 C ATOM 685 NE ARG A 410 -8.040 2.859 15.332 1.00 0.00 N ATOM 686 CZ ARG A 410 -9.131 2.882 16.093 1.00 0.00 C ATOM 687 NH1 ARG A 410 -9.890 1.799 16.213 1.00 0.00 N ATOM 688 NH2 ARG A 410 -9.465 3.993 16.738 1.00 0.00 N ATOM 0 H ARG A 410 -6.604 2.371 9.871 1.00 0.00 H new ATOM 0 HA ARG A 410 -8.975 1.035 10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.711 1.494 11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.370 3.085 12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -9.354 1.984 13.392 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -8.582 0.430 13.150 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -7.697 0.797 15.212 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -6.536 1.785 14.348 1.00 0.00 H new ATOM 0 HE ARG A 410 -7.482 3.710 15.265 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -9.638 0.942 15.720 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -10.725 1.824 16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -8.885 4.828 16.650 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -10.301 4.012 17.322 1.00 0.00 H new ATOM 702 N LYS A 411 -9.020 4.302 10.376 1.00 0.00 N ATOM 703 CA LYS A 411 -9.899 5.464 10.300 1.00 0.00 C ATOM 704 C LYS A 411 -11.040 5.219 9.318 1.00 0.00 C ATOM 705 O LYS A 411 -12.187 5.584 9.581 1.00 0.00 O ATOM 706 CB LYS A 411 -9.106 6.704 9.882 1.00 0.00 C ATOM 707 CG LYS A 411 -8.656 7.563 11.053 1.00 0.00 C ATOM 708 CD LYS A 411 -7.708 6.805 11.968 1.00 0.00 C ATOM 709 CE LYS A 411 -7.975 7.117 13.431 1.00 0.00 C ATOM 710 NZ LYS A 411 -7.123 6.301 14.338 1.00 0.00 N ATOM 0 H LYS A 411 -8.053 4.487 10.109 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.325 5.632 11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.230 6.390 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -9.719 7.308 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -8.163 8.460 10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -9.527 7.891 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -7.816 5.734 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -6.678 7.065 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -7.791 8.175 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -9.025 6.932 13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -7.417 6.456 15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -7.228 5.294 14.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -6.128 6.582 14.226 1.00 0.00 H new ATOM 724 N GLU A 412 -10.720 4.601 8.187 1.00 0.00 N ATOM 725 CA GLU A 412 -11.719 4.308 7.165 1.00 0.00 C ATOM 726 C GLU A 412 -12.352 5.591 6.636 1.00 0.00 C ATOM 727 O GLU A 412 -13.522 5.605 6.256 1.00 0.00 O ATOM 728 CB GLU A 412 -12.801 3.387 7.729 1.00 0.00 C ATOM 729 CG GLU A 412 -13.690 2.770 6.663 1.00 0.00 C ATOM 730 CD GLU A 412 -15.144 2.691 7.088 1.00 0.00 C ATOM 731 OE1 GLU A 412 -15.834 3.730 7.036 1.00 0.00 O ATOM 732 OE2 GLU A 412 -15.590 1.590 7.476 1.00 0.00 O ATOM 0 H GLU A 412 -9.776 4.293 7.954 1.00 0.00 H new ATOM 0 HA GLU A 412 -11.218 3.805 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -12.326 2.590 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -13.421 3.952 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -13.614 3.357 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -13.329 1.768 6.429 1.00 0.00 H new ATOM 739 N GLU A 413 -11.572 6.665 6.615 1.00 0.00 N ATOM 740 CA GLU A 413 -12.057 7.952 6.131 1.00 0.00 C ATOM 741 C GLU A 413 -12.069 7.989 4.606 1.00 0.00 C ATOM 742 O GLU A 413 -11.177 7.445 3.955 1.00 0.00 O ATOM 743 CB GLU A 413 -11.186 9.087 6.675 1.00 0.00 C ATOM 744 CG GLU A 413 -11.981 10.307 7.113 1.00 0.00 C ATOM 745 CD GLU A 413 -11.095 11.490 7.446 1.00 0.00 C ATOM 746 OE1 GLU A 413 -10.600 11.558 8.591 1.00 0.00 O ATOM 747 OE2 GLU A 413 -10.896 12.350 6.562 1.00 0.00 O ATOM 0 H GLU A 413 -10.601 6.670 6.927 1.00 0.00 H new ATOM 0 HA GLU A 413 -13.078 8.086 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -10.608 8.717 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -10.471 9.385 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -12.674 10.588 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -12.582 10.051 7.986 1.00 0.00 H new ATOM 754 N ASP A 414 -13.086 8.634 4.042 1.00 0.00 N ATOM 755 CA ASP A 414 -13.214 8.739 2.593 1.00 0.00 C ATOM 756 C ASP A 414 -12.411 9.924 2.059 1.00 0.00 C ATOM 757 O ASP A 414 -12.348 10.976 2.694 1.00 0.00 O ATOM 758 CB ASP A 414 -14.686 8.888 2.200 1.00 0.00 C ATOM 759 CG ASP A 414 -15.527 7.713 2.654 1.00 0.00 C ATOM 760 OD1 ASP A 414 -16.046 7.756 3.789 1.00 0.00 O ATOM 761 OD2 ASP A 414 -15.669 6.747 1.874 1.00 0.00 O ATOM 0 H ASP A 414 -13.832 9.091 4.566 1.00 0.00 H new ATOM 0 HA ASP A 414 -12.817 7.825 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -15.084 9.805 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.762 8.989 1.117 1.00 0.00 H new ATOM 766 N PRO A 415 -11.784 9.770 0.877 1.00 0.00 N ATOM 767 CA PRO A 415 -10.986 10.836 0.263 1.00 0.00 C ATOM 768 C PRO A 415 -11.755 12.150 0.154 1.00 0.00 C ATOM 769 O PRO A 415 -11.162 13.226 0.117 1.00 0.00 O ATOM 770 CB PRO A 415 -10.668 10.289 -1.129 1.00 0.00 C ATOM 771 CG PRO A 415 -10.744 8.809 -0.983 1.00 0.00 C ATOM 772 CD PRO A 415 -11.807 8.549 0.049 1.00 0.00 C ATOM 0 HA PRO A 415 -10.102 11.072 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -11.382 10.651 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -9.679 10.603 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -10.997 8.336 -1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -9.785 8.398 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -12.783 8.393 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -11.586 7.659 0.639 1.00 0.00 H new ATOM 780 N LYS A 416 -13.080 12.051 0.101 1.00 0.00 N ATOM 781 CA LYS A 416 -13.932 13.231 -0.007 1.00 0.00 C ATOM 782 C LYS A 416 -13.683 14.193 1.150 1.00 0.00 C ATOM 783 O LYS A 416 -13.526 15.397 0.946 1.00 0.00 O ATOM 784 CB LYS A 416 -15.406 12.821 -0.037 1.00 0.00 C ATOM 785 CG LYS A 416 -15.738 11.829 -1.139 1.00 0.00 C ATOM 786 CD LYS A 416 -17.200 11.409 -1.089 1.00 0.00 C ATOM 787 CE LYS A 416 -17.746 11.127 -2.480 1.00 0.00 C ATOM 788 NZ LYS A 416 -18.486 9.836 -2.533 1.00 0.00 N ATOM 0 H LYS A 416 -13.587 11.166 0.131 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.684 13.741 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.673 12.385 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -16.020 13.712 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -15.519 12.275 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -15.102 10.949 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -17.303 10.518 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -17.790 12.195 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -18.409 11.938 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -16.924 11.104 -3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -18.843 9.680 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -17.847 9.059 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -19.286 9.867 -1.869 1.00 0.00 H new ATOM 802 N THR A 417 -13.649 13.656 2.365 1.00 0.00 N ATOM 803 CA THR A 417 -13.420 14.469 3.553 1.00 0.00 C ATOM 804 C THR A 417 -12.053 14.179 4.165 1.00 0.00 C ATOM 805 O THR A 417 -11.860 14.320 5.372 1.00 0.00 O ATOM 806 CB THR A 417 -14.507 14.229 4.617 1.00 0.00 C ATOM 807 OG1 THR A 417 -14.542 12.842 4.978 1.00 0.00 O ATOM 808 CG2 THR A 417 -15.871 14.658 4.102 1.00 0.00 C ATOM 0 H THR A 417 -13.777 12.662 2.552 1.00 0.00 H new ATOM 0 HA THR A 417 -13.458 15.510 3.234 1.00 0.00 H new ATOM 0 HB THR A 417 -14.263 14.827 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 417 -15.235 12.698 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 417 -16.623 14.479 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 417 -15.849 15.720 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 417 -16.120 14.083 3.210 1.00 0.00 H new ATOM 816 N ALA A 418 -11.106 13.775 3.323 1.00 0.00 N ATOM 817 CA ALA A 418 -9.757 13.467 3.782 1.00 0.00 C ATOM 818 C ALA A 418 -8.805 14.625 3.506 1.00 0.00 C ATOM 819 O ALA A 418 -9.211 15.663 2.982 1.00 0.00 O ATOM 820 CB ALA A 418 -9.251 12.196 3.114 1.00 0.00 C ATOM 0 H ALA A 418 -11.249 13.654 2.320 1.00 0.00 H new ATOM 0 HA ALA A 418 -9.793 13.310 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.243 11.977 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -9.911 11.366 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.237 12.334 2.033 1.00 0.00 H new ATOM 826 N SER A 419 -7.537 14.442 3.861 1.00 0.00 N ATOM 827 CA SER A 419 -6.528 15.473 3.651 1.00 0.00 C ATOM 828 C SER A 419 -5.703 15.178 2.402 1.00 0.00 C ATOM 829 O SER A 419 -5.832 14.114 1.797 1.00 0.00 O ATOM 830 CB SER A 419 -5.611 15.575 4.870 1.00 0.00 C ATOM 831 OG SER A 419 -6.325 16.020 6.011 1.00 0.00 O ATOM 0 H SER A 419 -7.184 13.589 4.295 1.00 0.00 H new ATOM 0 HA SER A 419 -7.040 16.425 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 419 -5.163 14.602 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 419 -4.794 16.264 4.657 1.00 0.00 H new ATOM 0 HG SER A 419 -5.716 16.075 6.777 1.00 0.00 H new ATOM 837 N GLN A 420 -4.854 16.127 2.020 1.00 0.00 N ATOM 838 CA GLN A 420 -4.008 15.968 0.844 1.00 0.00 C ATOM 839 C GLN A 420 -3.052 14.791 1.015 1.00 0.00 C ATOM 840 O GLN A 420 -2.724 14.100 0.050 1.00 0.00 O ATOM 841 CB GLN A 420 -3.215 17.250 0.581 1.00 0.00 C ATOM 842 CG GLN A 420 -4.086 18.491 0.464 1.00 0.00 C ATOM 843 CD GLN A 420 -3.376 19.747 0.931 1.00 0.00 C ATOM 844 OE1 GLN A 420 -3.615 20.235 2.033 1.00 0.00 O ATOM 845 NE2 GLN A 420 -2.496 20.276 0.089 1.00 0.00 N ATOM 0 H GLN A 420 -4.734 17.014 2.509 1.00 0.00 H new ATOM 0 HA GLN A 420 -4.654 15.767 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -2.497 17.395 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -2.642 17.131 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -4.395 18.617 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -4.993 18.351 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -2.329 19.837 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -1.987 21.121 0.348 1.00 0.00 H new ATOM 854 N SER A 421 -2.610 14.571 2.248 1.00 0.00 N ATOM 855 CA SER A 421 -1.691 13.477 2.544 1.00 0.00 C ATOM 856 C SER A 421 -2.349 12.127 2.276 1.00 0.00 C ATOM 857 O SER A 421 -1.751 11.247 1.655 1.00 0.00 O ATOM 858 CB SER A 421 -1.229 13.552 4.001 1.00 0.00 C ATOM 859 OG SER A 421 -2.198 14.192 4.811 1.00 0.00 O ATOM 0 H SER A 421 -2.872 15.134 3.057 1.00 0.00 H new ATOM 0 HA SER A 421 -0.825 13.575 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 421 -1.042 12.547 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 421 -0.286 14.095 4.059 1.00 0.00 H new ATOM 0 HG SER A 421 -1.880 14.226 5.737 1.00 0.00 H new ATOM 865 N LEU A 422 -3.582 11.970 2.746 1.00 0.00 N ATOM 866 CA LEU A 422 -4.319 10.728 2.555 1.00 0.00 C ATOM 867 C LEU A 422 -4.614 10.492 1.078 1.00 0.00 C ATOM 868 O LEU A 422 -4.516 9.369 0.586 1.00 0.00 O ATOM 869 CB LEU A 422 -5.626 10.758 3.350 1.00 0.00 C ATOM 870 CG LEU A 422 -6.286 9.393 3.562 1.00 0.00 C ATOM 871 CD1 LEU A 422 -5.683 8.692 4.769 1.00 0.00 C ATOM 872 CD2 LEU A 422 -7.790 9.549 3.729 1.00 0.00 C ATOM 0 H LEU A 422 -4.091 12.688 3.262 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.700 9.908 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.431 11.206 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.332 11.410 2.835 1.00 0.00 H new ATOM 0 HG LEU A 422 -6.101 8.779 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -6.164 7.723 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.614 8.548 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.838 9.302 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -8.243 8.569 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -7.997 10.180 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -8.210 10.010 2.835 1.00 0.00 H new ATOM 884 N LEU A 423 -4.975 11.561 0.374 1.00 0.00 N ATOM 885 CA LEU A 423 -5.282 11.471 -1.049 1.00 0.00 C ATOM 886 C LEU A 423 -4.080 10.952 -1.831 1.00 0.00 C ATOM 887 O LEU A 423 -4.231 10.208 -2.800 1.00 0.00 O ATOM 888 CB LEU A 423 -5.707 12.838 -1.588 1.00 0.00 C ATOM 889 CG LEU A 423 -7.005 13.393 -0.999 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.087 14.897 -1.209 1.00 0.00 C ATOM 891 CD2 LEU A 423 -8.209 12.699 -1.618 1.00 0.00 C ATOM 0 H LEU A 423 -5.062 12.499 0.766 1.00 0.00 H new ATOM 0 HA LEU A 423 -6.106 10.768 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -4.905 13.552 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.819 12.766 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 423 -7.009 13.197 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -8.017 15.274 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -6.242 15.380 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -7.061 15.117 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -9.124 13.106 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -8.210 12.864 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -8.157 11.629 -1.415 1.00 0.00 H new ATOM 903 N VAL A 424 -2.886 11.348 -1.401 1.00 0.00 N ATOM 904 CA VAL A 424 -1.657 10.922 -2.058 1.00 0.00 C ATOM 905 C VAL A 424 -1.291 9.497 -1.654 1.00 0.00 C ATOM 906 O VAL A 424 -0.796 8.717 -2.469 1.00 0.00 O ATOM 907 CB VAL A 424 -0.484 11.859 -1.719 1.00 0.00 C ATOM 908 CG1 VAL A 424 0.750 11.489 -2.530 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.870 13.311 -1.962 1.00 0.00 C ATOM 0 H VAL A 424 -2.744 11.963 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.839 10.960 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 424 -0.246 11.741 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 424 1.568 12.163 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.041 10.463 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 424 0.526 11.575 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 424 -0.027 13.957 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -1.138 13.446 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.722 13.571 -1.334 1.00 0.00 H new ATOM 919 N ASN A 425 -1.537 9.165 -0.390 1.00 0.00 N ATOM 920 CA ASN A 425 -1.234 7.834 0.122 1.00 0.00 C ATOM 921 C ASN A 425 -2.019 6.770 -0.638 1.00 0.00 C ATOM 922 O ASN A 425 -1.459 5.766 -1.078 1.00 0.00 O ATOM 923 CB ASN A 425 -1.559 7.755 1.616 1.00 0.00 C ATOM 924 CG ASN A 425 -0.432 8.286 2.480 1.00 0.00 C ATOM 925 OD1 ASN A 425 0.741 8.193 2.120 1.00 0.00 O ATOM 926 ND2 ASN A 425 -0.786 8.851 3.630 1.00 0.00 N ATOM 0 H ASN A 425 -1.945 9.799 0.297 1.00 0.00 H new ATOM 0 HA ASN A 425 -0.170 7.648 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.467 8.323 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.764 6.719 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.073 9.229 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -1.771 8.907 3.889 1.00 0.00 H new ATOM 933 N LEU A 426 -3.320 6.998 -0.789 1.00 0.00 N ATOM 934 CA LEU A 426 -4.182 6.060 -1.498 1.00 0.00 C ATOM 935 C LEU A 426 -3.793 5.975 -2.970 1.00 0.00 C ATOM 936 O LEU A 426 -3.835 4.901 -3.572 1.00 0.00 O ATOM 937 CB LEU A 426 -5.647 6.483 -1.368 1.00 0.00 C ATOM 938 CG LEU A 426 -6.121 6.747 0.062 1.00 0.00 C ATOM 939 CD1 LEU A 426 -7.158 7.859 0.085 1.00 0.00 C ATOM 940 CD2 LEU A 426 -6.685 5.475 0.678 1.00 0.00 C ATOM 0 H LEU A 426 -3.800 7.824 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 426 -4.056 5.075 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.802 7.386 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -6.274 5.705 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 426 -5.265 7.067 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -7.483 8.032 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -6.720 8.773 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -8.015 7.570 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -7.018 5.680 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -7.529 5.126 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -5.912 4.706 0.697 1.00 0.00 H new ATOM 952 N ARG A 427 -3.415 7.113 -3.541 1.00 0.00 N ATOM 953 CA ARG A 427 -3.017 7.168 -4.943 1.00 0.00 C ATOM 954 C ARG A 427 -1.803 6.279 -5.197 1.00 0.00 C ATOM 955 O ARG A 427 -1.738 5.572 -6.202 1.00 0.00 O ATOM 956 CB ARG A 427 -2.704 8.611 -5.347 1.00 0.00 C ATOM 957 CG ARG A 427 -3.897 9.351 -5.930 1.00 0.00 C ATOM 958 CD ARG A 427 -4.067 9.060 -7.414 1.00 0.00 C ATOM 959 NE ARG A 427 -3.444 10.089 -8.246 1.00 0.00 N ATOM 960 CZ ARG A 427 -2.216 9.998 -8.753 1.00 0.00 C ATOM 961 NH1 ARG A 427 -1.469 8.922 -8.530 1.00 0.00 N ATOM 962 NH2 ARG A 427 -1.732 10.988 -9.492 1.00 0.00 N ATOM 0 H ARG A 427 -3.376 8.009 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.846 6.801 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -2.341 9.154 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -1.896 8.608 -6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -4.802 9.061 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -3.769 10.423 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -3.628 8.090 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -5.129 8.994 -7.652 1.00 0.00 H new ATOM 0 HE ARG A 427 -3.984 10.930 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -1.835 8.155 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -0.530 8.863 -8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -2.300 11.816 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -0.792 10.921 -9.882 1.00 0.00 H new ATOM 976 N ALA A 428 -0.845 6.320 -4.276 1.00 0.00 N ATOM 977 CA ALA A 428 0.365 5.516 -4.399 1.00 0.00 C ATOM 978 C ALA A 428 0.041 4.027 -4.337 1.00 0.00 C ATOM 979 O ALA A 428 0.561 3.235 -5.123 1.00 0.00 O ATOM 980 CB ALA A 428 1.359 5.887 -3.308 1.00 0.00 C ATOM 0 H ALA A 428 -0.883 6.900 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 428 0.814 5.725 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.257 5.279 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 428 1.622 6.941 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 428 0.911 5.707 -2.331 1.00 0.00 H new ATOM 986 N MET A 429 -0.824 3.656 -3.399 1.00 0.00 N ATOM 987 CA MET A 429 -1.221 2.263 -3.236 1.00 0.00 C ATOM 988 C MET A 429 -1.890 1.739 -4.502 1.00 0.00 C ATOM 989 O MET A 429 -1.745 0.569 -4.854 1.00 0.00 O ATOM 990 CB MET A 429 -2.171 2.116 -2.044 1.00 0.00 C ATOM 991 CG MET A 429 -1.484 2.266 -0.697 1.00 0.00 C ATOM 992 SD MET A 429 -2.640 2.192 0.684 1.00 0.00 S ATOM 993 CE MET A 429 -2.407 3.813 1.408 1.00 0.00 C ATOM 0 H MET A 429 -1.263 4.300 -2.741 1.00 0.00 H new ATOM 0 HA MET A 429 -0.323 1.674 -3.049 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.961 2.863 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.651 1.138 -2.091 1.00 0.00 H new ATOM 0 HG2 MET A 429 -0.738 1.479 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 429 -0.951 3.216 -0.669 1.00 0.00 H new ATOM 0 HE1 MET A 429 -2.221 3.711 2.477 1.00 0.00 H new ATOM 0 HE2 MET A 429 -1.555 4.303 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 429 -3.303 4.413 1.252 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.620 2.615 -5.182 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.311 2.244 -6.412 1.00 0.00 C ATOM 1005 C GLN A 430 -2.311 1.867 -7.501 1.00 0.00 C ATOM 1006 O GLN A 430 -2.476 0.858 -8.185 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.196 3.396 -6.892 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.333 2.953 -7.799 1.00 0.00 C ATOM 1009 CD GLN A 430 -6.486 2.339 -7.030 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -6.318 1.343 -6.326 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.667 2.931 -7.162 1.00 0.00 N ATOM 0 H GLN A 430 -2.749 3.588 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 430 -3.938 1.378 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.613 3.909 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.579 4.120 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -5.695 3.810 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -4.956 2.229 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.761 3.755 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -8.480 2.562 -6.669 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.275 2.684 -7.653 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.246 2.435 -8.656 1.00 0.00 C ATOM 1022 C ASN A 431 0.441 1.097 -8.408 1.00 0.00 C ATOM 1023 O ASN A 431 0.592 0.285 -9.320 1.00 0.00 O ATOM 1024 CB ASN A 431 0.787 3.563 -8.646 1.00 0.00 C ATOM 1025 CG ASN A 431 0.432 4.681 -9.606 1.00 0.00 C ATOM 1026 OD1 ASN A 431 -0.742 4.978 -9.825 1.00 0.00 O ATOM 1027 ND2 ASN A 431 1.449 5.308 -10.187 1.00 0.00 N ATOM 0 H ASN A 431 -1.125 3.524 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 431 -0.726 2.400 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.870 3.967 -7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.765 3.159 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.271 6.068 -10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.407 5.029 -9.977 1.00 0.00 H new ATOM 1034 N PHE A 432 0.853 0.873 -7.164 1.00 0.00 N ATOM 1035 CA PHE A 432 1.523 -0.367 -6.791 1.00 0.00 C ATOM 1036 C PHE A 432 0.617 -1.569 -7.039 1.00 0.00 C ATOM 1037 O PHE A 432 1.089 -2.663 -7.350 1.00 0.00 O ATOM 1038 CB PHE A 432 1.940 -0.323 -5.320 1.00 0.00 C ATOM 1039 CG PHE A 432 2.849 -1.449 -4.919 1.00 0.00 C ATOM 1040 CD1 PHE A 432 4.178 -1.457 -5.314 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.375 -2.497 -4.148 1.00 0.00 C ATOM 1042 CE1 PHE A 432 5.017 -2.492 -4.945 1.00 0.00 C ATOM 1043 CE2 PHE A 432 3.210 -3.534 -3.777 1.00 0.00 C ATOM 1044 CZ PHE A 432 4.533 -3.532 -4.176 1.00 0.00 C ATOM 0 H PHE A 432 0.734 1.535 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 432 2.414 -0.471 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.440 0.625 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 432 1.046 -0.349 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 432 4.562 -0.647 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.342 -2.504 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE A 432 6.051 -2.487 -5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.829 -4.346 -3.175 1.00 0.00 H new ATOM 0 HZ PHE A 432 5.187 -4.342 -3.887 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.689 -1.357 -6.900 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.664 -2.422 -7.109 1.00 0.00 C ATOM 1056 C LEU A 433 -2.013 -2.559 -8.587 1.00 0.00 C ATOM 1057 O LEU A 433 -2.366 -3.642 -9.054 1.00 0.00 O ATOM 1058 CB LEU A 433 -2.931 -2.148 -6.297 1.00 0.00 C ATOM 1059 CG LEU A 433 -2.831 -2.482 -4.807 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -3.840 -1.671 -4.009 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -3.043 -3.971 -4.582 1.00 0.00 C ATOM 0 H LEU A 433 -1.096 -0.457 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.220 -3.358 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.190 -1.094 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.751 -2.722 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 433 -1.831 -2.220 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -3.754 -1.922 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.643 -0.608 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -4.847 -1.901 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -2.969 -4.192 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.031 -4.257 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.282 -4.533 -5.123 1.00 0.00 H new ATOM 1073 N GLN A 434 -1.915 -1.453 -9.320 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.222 -1.452 -10.746 1.00 0.00 C ATOM 1075 C GLN A 434 -1.165 -2.224 -11.529 1.00 0.00 C ATOM 1076 O GLN A 434 -1.475 -2.884 -12.522 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.316 -0.017 -11.268 1.00 0.00 C ATOM 1078 CG GLN A 434 -3.735 0.527 -11.300 1.00 0.00 C ATOM 1079 CD GLN A 434 -3.784 2.008 -11.614 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -4.129 2.408 -12.727 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -3.439 2.834 -10.633 1.00 0.00 N ATOM 0 H GLN A 434 -1.626 -0.548 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.184 -1.945 -10.887 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -1.702 0.630 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -1.898 0.023 -12.274 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.312 -0.018 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -4.211 0.348 -10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -3.160 2.460 -9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -3.454 3.842 -10.786 1.00 0.00 H new ATOM 1090 N LEU A 435 0.081 -2.138 -11.077 1.00 0.00 N ATOM 1091 CA LEU A 435 1.181 -2.830 -11.736 1.00 0.00 C ATOM 1092 C LEU A 435 0.948 -4.340 -11.744 1.00 0.00 C ATOM 1093 O LEU A 435 0.359 -4.888 -10.814 1.00 0.00 O ATOM 1094 CB LEU A 435 2.504 -2.510 -11.038 1.00 0.00 C ATOM 1095 CG LEU A 435 2.967 -1.057 -11.161 1.00 0.00 C ATOM 1096 CD1 LEU A 435 4.291 -0.854 -10.442 1.00 0.00 C ATOM 1097 CD2 LEU A 435 3.085 -0.658 -12.625 1.00 0.00 C ATOM 0 H LEU A 435 0.354 -1.596 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 435 1.230 -2.483 -12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.408 -2.756 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 435 3.279 -3.158 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 435 2.221 -0.417 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 435 4.603 0.186 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 435 4.173 -1.098 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 435 5.047 -1.504 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 435 3.415 0.378 -12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 435 3.810 -1.304 -13.121 1.00 0.00 H new ATOM 0 HD23 LEU A 435 2.114 -0.763 -13.110 1.00 0.00 H new ATOM 1109 N PRO A 436 1.409 -5.033 -12.800 1.00 0.00 N ATOM 1110 CA PRO A 436 1.245 -6.485 -12.921 1.00 0.00 C ATOM 1111 C PRO A 436 1.748 -7.229 -11.690 1.00 0.00 C ATOM 1112 O PRO A 436 2.642 -6.755 -10.988 1.00 0.00 O ATOM 1113 CB PRO A 436 2.094 -6.839 -14.145 1.00 0.00 C ATOM 1114 CG PRO A 436 2.144 -5.586 -14.948 1.00 0.00 C ATOM 1115 CD PRO A 436 2.124 -4.457 -13.955 1.00 0.00 C ATOM 0 HA PRO A 436 0.197 -6.770 -13.017 1.00 0.00 H new ATOM 0 HB2 PRO A 436 3.093 -7.162 -13.853 1.00 0.00 H new ATOM 0 HB3 PRO A 436 1.648 -7.655 -14.713 1.00 0.00 H new ATOM 0 HG2 PRO A 436 3.045 -5.551 -15.561 1.00 0.00 H new ATOM 0 HG3 PRO A 436 1.294 -5.524 -15.627 1.00 0.00 H new ATOM 0 HD2 PRO A 436 3.132 -4.139 -13.687 1.00 0.00 H new ATOM 0 HD3 PRO A 436 1.609 -3.582 -14.351 1.00 0.00 H new ATOM 1123 N GLU A 437 1.169 -8.397 -11.433 1.00 0.00 N ATOM 1124 CA GLU A 437 1.558 -9.208 -10.286 1.00 0.00 C ATOM 1125 C GLU A 437 3.037 -9.583 -10.361 1.00 0.00 C ATOM 1126 O GLU A 437 3.701 -9.739 -9.337 1.00 0.00 O ATOM 1127 CB GLU A 437 0.703 -10.475 -10.214 1.00 0.00 C ATOM 1128 CG GLU A 437 0.344 -10.888 -8.796 1.00 0.00 C ATOM 1129 CD GLU A 437 0.690 -12.335 -8.503 1.00 0.00 C ATOM 1130 OE1 GLU A 437 1.881 -12.626 -8.268 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -0.231 -13.178 -8.510 1.00 0.00 O ATOM 0 H GLU A 437 0.428 -8.803 -12.004 1.00 0.00 H new ATOM 0 HA GLU A 437 1.395 -8.617 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.215 -10.316 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 437 1.239 -11.292 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 437 0.868 -10.243 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.723 -10.734 -8.636 1.00 0.00 H new ATOM 1138 N ALA A 438 3.543 -9.725 -11.581 1.00 0.00 N ATOM 1139 CA ALA A 438 4.941 -10.081 -11.792 1.00 0.00 C ATOM 1140 C ALA A 438 5.869 -9.043 -11.172 1.00 0.00 C ATOM 1141 O ALA A 438 6.855 -9.389 -10.521 1.00 0.00 O ATOM 1142 CB ALA A 438 5.228 -10.228 -13.278 1.00 0.00 C ATOM 0 H ALA A 438 3.006 -9.599 -12.439 1.00 0.00 H new ATOM 0 HA ALA A 438 5.127 -11.036 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 438 6.275 -10.494 -13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 438 4.594 -11.011 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 438 5.020 -9.285 -13.784 1.00 0.00 H new ATOM 1148 N GLU A 439 5.550 -7.770 -11.378 1.00 0.00 N ATOM 1149 CA GLU A 439 6.356 -6.681 -10.839 1.00 0.00 C ATOM 1150 C GLU A 439 6.217 -6.602 -9.322 1.00 0.00 C ATOM 1151 O GLU A 439 7.196 -6.379 -8.611 1.00 0.00 O ATOM 1152 CB GLU A 439 5.944 -5.351 -11.475 1.00 0.00 C ATOM 1153 CG GLU A 439 7.118 -4.536 -11.993 1.00 0.00 C ATOM 1154 CD GLU A 439 7.779 -5.170 -13.200 1.00 0.00 C ATOM 1155 OE1 GLU A 439 8.264 -6.315 -13.078 1.00 0.00 O ATOM 1156 OE2 GLU A 439 7.814 -4.522 -14.267 1.00 0.00 O ATOM 0 H GLU A 439 4.738 -7.467 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 439 7.401 -6.880 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 439 5.258 -5.549 -12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 439 5.398 -4.760 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 439 6.774 -3.536 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 439 7.855 -4.421 -11.198 1.00 0.00 H new ATOM 1163 N ARG A 440 4.995 -6.789 -8.834 1.00 0.00 N ATOM 1164 CA ARG A 440 4.729 -6.739 -7.402 1.00 0.00 C ATOM 1165 C ARG A 440 5.503 -7.830 -6.668 1.00 0.00 C ATOM 1166 O ARG A 440 6.014 -7.610 -5.570 1.00 0.00 O ATOM 1167 CB ARG A 440 3.229 -6.894 -7.134 1.00 0.00 C ATOM 1168 CG ARG A 440 2.482 -5.571 -7.079 1.00 0.00 C ATOM 1169 CD ARG A 440 1.360 -5.607 -6.055 1.00 0.00 C ATOM 1170 NE ARG A 440 0.360 -6.625 -6.373 1.00 0.00 N ATOM 1171 CZ ARG A 440 -0.593 -6.465 -7.289 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -0.684 -5.332 -7.974 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.460 -7.442 -7.518 1.00 0.00 N ATOM 0 H ARG A 440 4.174 -6.976 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 440 5.059 -5.769 -7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.791 -7.517 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 440 3.089 -7.420 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 440 3.177 -4.769 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 440 2.071 -5.343 -8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 440 1.777 -5.805 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 440 0.880 -4.629 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 440 0.394 -7.508 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -0.021 -4.576 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -1.417 -5.217 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.396 -8.314 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.191 -7.321 -8.219 1.00 0.00 H new ATOM 1187 N ASP A 441 5.584 -9.006 -7.282 1.00 0.00 N ATOM 1188 CA ASP A 441 6.298 -10.131 -6.686 1.00 0.00 C ATOM 1189 C ASP A 441 7.795 -9.849 -6.613 1.00 0.00 C ATOM 1190 O ASP A 441 8.457 -10.203 -5.638 1.00 0.00 O ATOM 1191 CB ASP A 441 6.045 -11.406 -7.492 1.00 0.00 C ATOM 1192 CG ASP A 441 5.921 -12.633 -6.610 1.00 0.00 C ATOM 1193 OD1 ASP A 441 6.787 -12.820 -5.729 1.00 0.00 O ATOM 1194 OD2 ASP A 441 4.960 -13.406 -6.801 1.00 0.00 O ATOM 0 H ASP A 441 5.165 -9.205 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 441 5.924 -10.270 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 441 5.132 -11.288 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 441 6.860 -11.552 -8.201 1.00 0.00 H new ATOM 1199 N ARG A 442 8.322 -9.208 -7.652 1.00 0.00 N ATOM 1200 CA ARG A 442 9.742 -8.877 -7.704 1.00 0.00 C ATOM 1201 C ARG A 442 10.123 -7.938 -6.564 1.00 0.00 C ATOM 1202 O ARG A 442 11.220 -8.027 -6.015 1.00 0.00 O ATOM 1203 CB ARG A 442 10.087 -8.237 -9.052 1.00 0.00 C ATOM 1204 CG ARG A 442 11.018 -9.082 -9.905 1.00 0.00 C ATOM 1205 CD ARG A 442 11.654 -8.261 -11.015 1.00 0.00 C ATOM 1206 NE ARG A 442 12.794 -7.482 -10.537 1.00 0.00 N ATOM 1207 CZ ARG A 442 14.008 -7.991 -10.336 1.00 0.00 C ATOM 1208 NH1 ARG A 442 14.242 -9.276 -10.567 1.00 0.00 N ATOM 1209 NH2 ARG A 442 14.988 -7.213 -9.900 1.00 0.00 N ATOM 0 H ARG A 442 7.788 -8.908 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 442 10.312 -9.800 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 442 9.166 -8.055 -9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.550 -7.266 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 442 11.798 -9.513 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 442 10.462 -9.913 -10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 442 11.979 -8.925 -11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 442 10.909 -7.589 -11.441 1.00 0.00 H new ATOM 0 HE ARG A 442 12.652 -6.490 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 442 13.490 -9.879 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 442 15.174 -9.661 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 442 14.812 -6.225 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 442 15.918 -7.602 -9.746 1.00 0.00 H new ATOM 1223 N ILE A 443 9.207 -7.040 -6.213 1.00 0.00 N ATOM 1224 CA ILE A 443 9.448 -6.085 -5.138 1.00 0.00 C ATOM 1225 C ILE A 443 9.189 -6.717 -3.774 1.00 0.00 C ATOM 1226 O ILE A 443 9.875 -6.414 -2.798 1.00 0.00 O ATOM 1227 CB ILE A 443 8.561 -4.833 -5.288 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.684 -4.258 -6.701 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.939 -3.785 -4.252 1.00 0.00 C ATOM 1230 CD1 ILE A 443 7.408 -3.621 -7.208 1.00 0.00 C ATOM 0 H ILE A 443 8.293 -6.954 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 443 10.495 -5.789 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 443 7.523 -5.123 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 443 9.481 -3.515 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.979 -5.054 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 443 8.303 -2.908 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.804 -4.197 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.982 -3.498 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 443 7.569 -3.235 -8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 443 6.612 -4.366 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 443 7.122 -2.803 -6.547 1.00 0.00 H new ATOM 1242 N TYR A 444 8.194 -7.596 -3.715 1.00 0.00 N ATOM 1243 CA TYR A 444 7.845 -8.271 -2.469 1.00 0.00 C ATOM 1244 C TYR A 444 9.021 -9.086 -1.943 1.00 0.00 C ATOM 1245 O TYR A 444 9.219 -9.198 -0.733 1.00 0.00 O ATOM 1246 CB TYR A 444 6.632 -9.180 -2.681 1.00 0.00 C ATOM 1247 CG TYR A 444 5.318 -8.435 -2.743 1.00 0.00 C ATOM 1248 CD1 TYR A 444 5.031 -7.416 -1.843 1.00 0.00 C ATOM 1249 CD2 TYR A 444 4.362 -8.753 -3.700 1.00 0.00 C ATOM 1250 CE1 TYR A 444 3.829 -6.734 -1.896 1.00 0.00 C ATOM 1251 CE2 TYR A 444 3.160 -8.075 -3.761 1.00 0.00 C ATOM 1252 CZ TYR A 444 2.898 -7.068 -2.856 1.00 0.00 C ATOM 1253 OH TYR A 444 1.702 -6.391 -2.914 1.00 0.00 O ATOM 0 H TYR A 444 7.616 -7.858 -4.513 1.00 0.00 H new ATOM 0 HA TYR A 444 7.596 -7.510 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 444 6.766 -9.740 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 444 6.589 -9.908 -1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 444 5.759 -7.152 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 444 4.562 -9.544 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 444 3.621 -5.944 -1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 444 2.429 -8.332 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 444 1.677 -5.711 -2.209 1.00 0.00 H new ATOM 1263 N GLN A 445 9.799 -9.654 -2.860 1.00 0.00 N ATOM 1264 CA GLN A 445 10.956 -10.458 -2.485 1.00 0.00 C ATOM 1265 C GLN A 445 12.127 -9.571 -2.078 1.00 0.00 C ATOM 1266 O GLN A 445 12.589 -9.620 -0.937 1.00 0.00 O ATOM 1267 CB GLN A 445 11.368 -11.365 -3.646 1.00 0.00 C ATOM 1268 CG GLN A 445 11.843 -12.741 -3.205 1.00 0.00 C ATOM 1269 CD GLN A 445 13.199 -13.103 -3.776 1.00 0.00 C ATOM 1270 OE1 GLN A 445 13.436 -12.969 -4.976 1.00 0.00 O ATOM 1271 NE2 GLN A 445 14.100 -13.565 -2.916 1.00 0.00 N ATOM 0 H GLN A 445 9.649 -9.572 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 445 10.678 -11.075 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 445 10.522 -11.482 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 445 12.163 -10.879 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 445 11.892 -12.772 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 445 11.112 -13.489 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 445 13.861 -13.660 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 445 15.031 -13.825 -3.243 1.00 0.00 H new